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# Original OpenFold README
A faithful but trainable PyTorch reproduction of DeepMind's
[AlphaFold 2](https://github.com/deepmind/alphafold).
## Contents
- [OpenFold]
- [Contents]
- [Features](#features)
- [Installation (Linux)](#installation-linux)
- [Download Alignment Databases](#download-alignment-databases)
- [Inference](#inference)
- [Monomer inference](#monomer-inference)
- [Multimer Inference](#multimer-inference)
- [Soloseq Inference](#soloseq-inference)
- [Training](#training)
- [Testing](#testing)
- [Building and Using the Docker Container](#building-and-using-the-docker-container)
- [Copyright Notice](#copyright-notice)
- [Contributing](#contributing)
- [Citing this Work](#citing-this-work)
## Features
OpenFold carefully reproduces (almost) all of the features of the original open
source monomer (v2.0.1) and multimer (v2.3.2) inference code. The sole exception is
model ensembling, which fared poorly in DeepMind's own ablation testing and is being
phased out in future DeepMind experiments. It is omitted here for the sake of reducing
clutter. In cases where the *Nature* paper differs from the source, we always defer to the
latter.
OpenFold is trainable in full precision, half precision, or `bfloat16` with or without DeepSpeed,
and we've trained it from scratch, matching the performance of the original.
We've publicly released model weights and our training data — some 400,000
MSAs and PDB70 template hit files — under a permissive license. Model weights
are available via scripts in this repository while the MSAs are hosted by the
[Registry of Open Data on AWS (RODA)](https://registry.opendata.aws/openfold).
Try out running inference for yourself with our [Colab notebook](https://colab.research.google.com/github/aqlaboratory/openfold/blob/main/notebooks/OpenFold.ipynb).
OpenFold also supports inference using AlphaFold's official parameters, and
vice versa (see `scripts/convert_of_weights_to_jax.py`).
OpenFold has the following advantages over the reference implementation:
- **Faster inference** on GPU, sometimes by as much as 2x. The greatest speedups are achieved on Ampere or higher architecture GPUs.
- **Inference on extremely long chains**, made possible by our implementation of low-memory attention
([Rabe & Staats 2021](https://arxiv.org/pdf/2112.05682.pdf)). OpenFold can predict the structures of
sequences with more than 4000 residues on a single A100, and even longer ones with CPU offloading.
- **Custom CUDA attention kernels** modified from [FastFold](https://github.com/hpcaitech/FastFold)'s
kernels support in-place attention during inference and training. They use
4x and 5x less GPU memory than equivalent FastFold and stock PyTorch
implementations, respectively.
- **Efficient alignment scripts** using the original AlphaFold HHblits/JackHMMER pipeline or [ColabFold](https://github.com/sokrypton/ColabFold)'s, which uses the faster MMseqs2 instead. We've used them to generate millions of alignments.
- **FlashAttention** support greatly speeds up MSA attention.
- **DeepSpeed DS4Sci_EvoformerAttention kernel** is a memory-efficient attention kernel developed as part of a collaboration between OpenFold and the DeepSpeed4Science initiative. The kernel provides substantial speedups for training and inference, and significantly reduces the model's peak device memory requirement by 13X. The model is 15% faster during the initial training and finetuning stages, and up to 4x faster during inference. To use this feature, simply set the `use_deepspeed_evo_attention` option in `openfold/config.py`.
## Installation (Linux)
All Python dependencies are specified in `environment.yml`. For producing sequence
alignments, you'll also need `kalign`, the [HH-suite](https://github.com/soedinglab/hh-suite),
and one of {`jackhmmer`, [MMseqs2](https://github.com/soedinglab/mmseqs2) (nightly build)}
installed on your system. You'll need `git-lfs` to download OpenFold parameters.
Finally, some download scripts require `aria2c` and `aws`.
This package is currently supported for CUDA 11 and Pytorch 1.12
To install:
1. Clone the repository, e.g. `git clone https://github.com/aqlaboratory/openfold.git`
1. From the `openfold` repo:
- Create a [Mamba]("https://github.com/conda-forge/miniforge/releases/latest/download/) environment, e.g.
`mamba env create -n openfold_env -f environment.yml`
Mamba is recommended as the dependencies required by OpenFold are quite large and mamba can speed up the process.
- Activate the environment, e.g `conda activate openfold_env`
1. Run `scripts/install_third_party_dependencies.sh` to configure kernels and folding resources.
For some systems, it may help to append the Conda environment library path to `$LD_LIBRARY_PATH`. The `install_third_party_dependencies.sh` script does this once, but you may need this for each bash instance.
## Download Alignment Databases
If you intend to generate your own alignments, e.g. for inference, you have two
choices for downloading protein databases, depending on whether you want to use
DeepMind's MSA generation pipeline (w/ HMMR & HHblits) or
[ColabFold](https://github.com/sokrypton/ColabFold)'s, which uses the faster
MMseqs2 instead. For the former, run:
```bash
bash scripts/download_alphafold_dbs.sh data/
```
For the latter, run:
```bash
bash scripts/download_mmseqs_dbs.sh data/ # downloads .tar files
bash scripts/prep_mmseqs_dbs.sh data/ # unpacks and preps the databases
```
Make sure to run the latter command on the machine that will be used for MSA
generation (the script estimates how the precomputed database index used by
MMseqs2 should be split according to the memory available on the system).
If you're using your own precomputed MSAs or MSAs from the RODA repository,
there's no need to download these alignment databases. Simply make sure that
the `alignment_dir` contains one directory per chain and that each of these
contains alignments (.sto, .a3m, and .hhr) corresponding to that chain. You
can use `scripts/flatten_roda.sh` to reformat RODA downloads in this way.
Note that the RODA alignments are NOT compatible with the recent .cif ground
truth files downloaded by `scripts/download_alphafold_dbs.sh`. To fetch .cif
files that match the RODA MSAs, once the alignments are flattened, use
`scripts/download_roda_pdbs.sh`. That script outputs a list of alignment dirs
for which matching .cif files could not be found. These should be removed from
the alignment directory.
Alternatively, you can use raw MSAs from
[ProteinNet](https://github.com/aqlaboratory/proteinnet). After downloading
that database, use `scripts/prep_proteinnet_msas.py` to convert the data
into a format recognized by the OpenFold parser. The resulting directory
becomes the `alignment_dir` used in subsequent steps. Use
`scripts/unpack_proteinnet.py` to extract `.core` files from ProteinNet text
files.
For both inference and training, the model's hyperparameters can be tuned from
`openfold/config.py`. Of course, if you plan to perform inference using
DeepMind's pretrained parameters, you will only be able to make changes that
do not affect the shapes of model parameters. For an example of initializing
the model, consult `run_pretrained_openfold.py`.
## Inference
OpenFold now supports three inference modes:
- [Monomer Inference](#monomer-inference): OpenFold reproduction of AlphaFold2. Inference available with either DeepMind's pretrained parameters or OpenFold trained parameters.
- [Multimer Inference](#multimer-inference): OpenFold reproduction of AlphaFold-Multimer. Inference available with DeepMind's pre-trained parameters.
- [Single Sequence Inference (SoloSeq)](#soloseq-inference): Language Model based structure prediction, using [ESM-1b](https://github.com/facebookresearch/esm) embeddings.
More instructions for each inference mode are provided below:
### Monomer inference
To run inference on a sequence or multiple sequences using a set of DeepMind's
pretrained parameters, first download the OpenFold weights e.g.:
```bash
bash scripts/download_openfold_params.sh openfold/resources
```
then run e.g.:
```bash
python3 run_pretrained_openfold.py \
fasta_dir \
data/pdb_mmcif/mmcif_files/ \
--uniref90_database_path data/uniref90/uniref90.fasta \
--mgnify_database_path data/mgnify/mgy_clusters_2018_12.fa \
--pdb70_database_path data/pdb70/pdb70 \
--uniclust30_database_path data/uniclust30/uniclust30_2018_08/uniclust30_2018_08 \
--bfd_database_path data/bfd/bfd_metaclust_clu_complete_id30_c90_final_seq.sorted_opt \
--jackhmmer_binary_path lib/conda/envs/openfold_venv/bin/jackhmmer \
--hhblits_binary_path lib/conda/envs/openfold_venv/bin/hhblits \
--hhsearch_binary_path lib/conda/envs/openfold_venv/bin/hhsearch \
--kalign_binary_path lib/conda/envs/openfold_venv/bin/kalign \
--config_preset "model_1_ptm" \
--model_device "cuda:0" \
--output_dir ./ \
--openfold_checkpoint_path openfold/resources/openfold_params/finetuning_ptm_2.pt
```
where `data` is the same directory as in the previous step. If `jackhmmer`,
`hhblits`, `hhsearch` and `kalign` are available at the default path of
`/usr/bin`, their `binary_path` command-line arguments can be dropped.
If you've already computed alignments for the query, you have the option to
skip the expensive alignment computation here with
`--use_precomputed_alignments`.
`--openfold_checkpoint_path` or `--jax_param_path` accept comma-delineated lists
of .pt/DeepSpeed OpenFold checkpoints and AlphaFold's .npz JAX parameter files,
respectively. For a breakdown of the differences between the different parameter
files, see the README downloaded to `openfold/resources/openfold_params/`. Since
OpenFold was trained under a newer training schedule than the one from which the
`model_n` config presets are derived, there is no clean correspondence between
`config_preset` settings and OpenFold checkpoints; the only restraints are that
`*_ptm` checkpoints must be run with `*_ptm` config presets and that `_no_templ_`
checkpoints are only compatible with template-less presets (`model_3` and above).
Note that chunking (as defined in section 1.11.8 of the AlphaFold 2 supplement)
is enabled by default in inference mode. To disable it, set `globals.chunk_size`
to `None` in the config. If a value is specified, OpenFold will attempt to
dynamically tune it, considering the chunk size specified in the config as a
minimum. This tuning process automatically ensures consistently fast runtimes
regardless of input sequence length, but it also introduces some runtime
variability, which may be undesirable for certain users. It is also recommended
to disable this feature for very long chains (see below). To do so, set the
`tune_chunk_size` option in the config to `False`.
For large-scale batch inference, we offer an optional tracing mode, which
massively improves runtimes at the cost of a lengthy model compilation process.
To enable it, add `--trace_model` to the inference command.
To get a speedup during inference, enable [FlashAttention](https://github.com/HazyResearch/flash-attention)
in the config. Note that it appears to work best for sequences with < 1000 residues.
To minimize memory usage during inference on long sequences, consider the
following changes:
- As noted in the AlphaFold-Multimer paper, the AlphaFold/OpenFold template
stack is a major memory bottleneck for inference on long sequences. OpenFold
supports two mutually exclusive inference modes to address this issue. One,
`average_templates` in the `template` section of the config, is similar to the
solution offered by AlphaFold-Multimer, which is simply to average individual
template representations. Our version is modified slightly to accommodate
weights trained using the standard template algorithm. Using said weights, we
notice no significant difference in performance between our averaged template
embeddings and the standard ones. The second, `offload_templates`, temporarily
offloads individual template embeddings into CPU memory. The former is an
approximation while the latter is slightly slower; both are memory-efficient
and allow the model to utilize arbitrarily many templates across sequence
lengths. Both are disabled by default, and it is up to the user to determine
which best suits their needs, if either.
- Inference-time low-memory attention (LMA) can be enabled in the model config.
This setting trades off speed for vastly improved memory usage. By default,
LMA is run with query and key chunk sizes of 1024 and 4096, respectively.
These represent a favorable tradeoff in most memory-constrained cases.
Powerusers can choose to tweak these settings in
`openfold/model/primitives.py`. For more information on the LMA algorithm,
see the aforementioned Staats & Rabe preprint.
- Disable `tune_chunk_size` for long sequences. Past a certain point, it only
wastes time.
- As a last resort, consider enabling `offload_inference`. This enables more
extensive CPU offloading at various bottlenecks throughout the model.
- Disable FlashAttention, which seems unstable on long sequences.
Using the most conservative settings, we were able to run inference on a
4600-residue complex with a single A100. Compared to AlphaFold's own memory
offloading mode, ours is considerably faster; the same complex takes the more
efficent AlphaFold-Multimer more than double the time. Use the
`long_sequence_inference` config option to enable all of these interventions
at once. The `run_pretrained_openfold.py` script can enable this config option with the
`--long_sequence_inference` command line option
Input FASTA files containing multiple sequences are treated as complexes. In
this case, the inference script runs AlphaFold-Gap, a hack proposed
[here](https://twitter.com/minkbaek/status/1417538291709071362?lang=en), using
the specified stock AlphaFold/OpenFold parameters (NOT AlphaFold-Multimer).
### Multimer Inference
To run inference on a complex or multiple complexes using a set of DeepMind's pretrained parameters, run e.g.:
```bash
python3 run_pretrained_openfold.py \
fasta_dir \
data/pdb_mmcif/mmcif_files/ \
--uniref90_database_path data/uniref90/uniref90.fasta \
--mgnify_database_path data/mgnify/mgy_clusters_2022_05.fa \
--pdb_seqres_database_path data/pdb_seqres/pdb_seqres.txt \
--uniref30_database_path data/uniref30/UniRef30_2021_03 \
--uniprot_database_path data/uniprot/uniprot.fasta \
--bfd_database_path data/bfd/bfd_metaclust_clu_complete_id30_c90_final_seq.sorted_opt \
--jackhmmer_binary_path lib/conda/envs/openfold_venv/bin/jackhmmer \
--hhblits_binary_path lib/conda/envs/openfold_venv/bin/hhblits \
--hmmsearch_binary_path lib/conda/envs/openfold_venv/bin/hmmsearch \
--hmmbuild_binary_path lib/conda/envs/openfold_venv/bin/hmmbuild \
--kalign_binary_path lib/conda/envs/openfold_venv/bin/kalign \
--config_preset "model_1_multimer_v3" \
--model_device "cuda:0" \
--output_dir ./
```
As with monomer inference, if you've already computed alignments for the query, you can use
the `--use_precomputed_alignments` option. Note that template searching in the multimer pipeline
uses HMMSearch with the PDB SeqRes database, replacing HHSearch and PDB70 used in the monomer pipeline.
**Upgrade from an existing OpenFold installation**
The above command requires several upgrades to existing openfold installations.
1. Re-download the alphafold parameters to get the latest
AlphaFold-Multimer v3 weights:
```bash
bash scripts/download_alphafold_params.sh openfold/resources
```
2. Download the [UniProt](https://www.uniprot.org/uniprotkb/)
and [PDB SeqRes](https://www.rcsb.org/) databases:
```bash
bash scripts/download_uniprot.sh data/
```
The PDB SeqRes and PDB databases must be from the same date to avoid potential
errors during template searching. Remove the existing `data/pdb_mmcif` directory
and download both databases:
```bash
bash scripts/download_pdb_mmcif.sh data/
bash scripts/download_pdb_seqres.sh data/
```
3. Additionally, AlphaFold-Multimer uses upgraded versions of the [MGnify](https://www.ebi.ac.uk/metagenomics)
and [UniRef30](https://uniclust.mmseqs.com/) (previously UniClust30) databases. To download the upgraded databases, run:
```bash
bash scripts/download_uniref30.sh data/
bash scripts/download_mgnify.sh data/
```
Multimer inference can also run with the older database versions if desired.
### Soloseq Inference
To run inference for a sequence using the SoloSeq single-sequence model, you can either precompute ESM-1b embeddings in bulk, or you can generate them during inference.
For generating ESM-1b embeddings in bulk, use the provided script: `scripts/precompute_embeddings.py`. The script takes a directory of FASTA files (one sequence per file) and generates ESM-1b embeddings in the same format and directory structure as required by SoloSeq. Following is an example command to use the script:
```bash
python scripts/precompute_embeddings.py fasta_dir/ embeddings_output_dir/
```
In the same per-label subdirectories inside `embeddings_output_dir`, you can also place `*.hhr` files (outputs from HHSearch), which can contain the details about the structures that you want to use as templates. If you do not place any such file, templates will not be used and only the ESM-1b embeddings will be used to predict the structure. If you want to use templates, you need to pass the PDB MMCIF dataset to the command.
Then download the SoloSeq model weights, e.g.:
```bash
bash scripts/download_openfold_soloseq_params.sh openfold/resources
```
Now, you are ready to run inference:
```bash
python run_pretrained_openfold.py \
fasta_dir \
data/pdb_mmcif/mmcif_files/ \
--use_precomputed_alignments embeddings_output_dir \
--output_dir ./ \
--model_device "cuda:0" \
--config_preset "seq_model_esm1b_ptm" \
--openfold_checkpoint_path openfold/resources/openfold_soloseq_params/seq_model_esm1b_ptm.pt
```
For generating the embeddings during inference, skip the `--use_precomputed_alignments` argument. The `*.hhr` files will be generated as well if you pass the paths to the relevant databases and tools, as specified in the command below. If you skip the database and tool arguments, HHSearch will not be used to find templates and only generated ESM-1b embeddings will be used to predict the structure.
```bash
python3 run_pretrained_openfold.py \
fasta_dir \
data/pdb_mmcif/mmcif_files/ \
--output_dir ./ \
--model_device "cuda:0" \
--config_preset "seq_model_esm1b_ptm" \
--openfold_checkpoint_path openfold/resources/openfold_soloseq_params/seq_model_esm1b_ptm.pt \
--uniref90_database_path data/uniref90/uniref90.fasta \
--pdb70_database_path data/pdb70/pdb70 \
--jackhmmer_binary_path lib/conda/envs/openfold_venv/bin/jackhmmer \
--hhsearch_binary_path lib/conda/envs/openfold_venv/bin/hhsearch \
--kalign_binary_path lib/conda/envs/openfold_venv/bin/kalign \
```
For generating template information, you will need the UniRef90 and PDB70 databases and the JackHmmer and HHSearch binaries.
SoloSeq allows you to use the same flags and optimizations as the MSA-based OpenFold. For example, you can skip relaxation using `--skip_relaxation`, save all model outputs using `--save_outputs`, and generate output files in MMCIF format using `--cif_output`.
**NOTE:** Due to the nature of the ESM-1b embeddings, the sequence length for inference using the SoloSeq model is limited to 1022 residues. Sequences longer than that will be truncated.
## Training
To train the model, you will first need to precompute protein alignments.
You have two options. You can use the same procedure DeepMind used by running
the following:
```bash
python3 scripts/precompute_alignments.py mmcif_dir/ alignment_dir/ \
--uniref90_database_path data/uniref90/uniref90.fasta \
--mgnify_database_path data/mgnify/mgy_clusters_2018_12.fa \
--pdb70_database_path data/pdb70/pdb70 \
--uniclust30_database_path data/uniclust30/uniclust30_2018_08/uniclust30_2018_08 \
--bfd_database_path data/bfd/bfd_metaclust_clu_complete_id30_c90_final_seq.sorted_opt \
--cpus_per_task 16 \
--jackhmmer_binary_path lib/conda/envs/openfold_venv/bin/jackhmmer \
--hhblits_binary_path lib/conda/envs/openfold_venv/bin/hhblits \
--hhsearch_binary_path lib/conda/envs/openfold_venv/bin/hhsearch \
--kalign_binary_path lib/conda/envs/openfold_venv/bin/kalign
```
As noted before, you can skip the `binary_path` arguments if these binaries are
at `/usr/bin`. Expect this step to take a very long time, even for small
numbers of proteins.
Alternatively, you can generate MSAs with the ColabFold pipeline (and templates
with HHsearch) with:
```bash
python3 scripts/precompute_alignments_mmseqs.py input.fasta \
data/mmseqs_dbs \
uniref30_2103_db \
alignment_dir \
~/MMseqs2/build/bin/mmseqs \
/usr/bin/hhsearch \
--env_db colabfold_envdb_202108_db
--pdb70 data/pdb70/pdb70
```
where `input.fasta` is a FASTA file containing one or more query sequences. To
generate an input FASTA from a directory of mmCIF and/or ProteinNet .core
files, we provide `scripts/data_dir_to_fasta.py`.
Next, generate a cache of certain datapoints in the template mmCIF files:
```bash
python3 scripts/generate_mmcif_cache.py \
mmcif_dir/ \
mmcif_cache.json \
--no_workers 16
```
This cache is used to pre-filter templates.
Next, generate a separate chain-level cache with data used for training-time
data filtering:
```bash
python3 scripts/generate_chain_data_cache.py \
mmcif_dir/ \
chain_data_cache.json \
--cluster_file clusters-by-entity-40.txt \
--no_workers 16
```
where the `cluster_file` argument is a file of chain clusters, one cluster
per line.
Optionally, download an AlphaFold-style validation set from
[CAMEO](https://cameo3d.org) using `scripts/download_cameo.py`. Use the
resulting FASTA files to generate validation alignments and then specify
the validation set's location using the `--val_...` family of training script
flags.
Finally, call the training script:
```bash
python3 train_openfold.py mmcif_dir/ alignment_dir/ template_mmcif_dir/ output_dir/ \
2021-10-10 \
--template_release_dates_cache_path mmcif_cache.json \
--precision bf16 \
--gpus 8 --replace_sampler_ddp=True \
--seed 4242022 \ # in multi-gpu settings, the seed must be specified
--deepspeed_config_path deepspeed_config.json \
--checkpoint_every_epoch \
--resume_from_ckpt ckpt_dir/ \
--train_chain_data_cache_path chain_data_cache.json \
--obsolete_pdbs_file_path obsolete.dat
```
where `--template_release_dates_cache_path` is a path to the mmCIF cache.
Note that `template_mmcif_dir` can be the same as `mmcif_dir` which contains
training targets. A suitable DeepSpeed configuration file can be generated with
`scripts/build_deepspeed_config.py`. The training script is
written with [PyTorch Lightning](https://github.com/PyTorchLightning/pytorch-lightning)
and supports the full range of training options that entails, including
multi-node distributed training, validation, and so on. For more information,
consult PyTorch Lightning documentation and the `--help` flag of the training
script.
Note that, despite its variable name, `mmcif_dir` can also contain PDB files
or even ProteinNet .core files.
To emulate the AlphaFold training procedure, which uses a self-distillation set
subject to special preprocessing steps, use the family of `--distillation` flags.
In cases where it may be burdensome to create separate files for each chain's
alignments, alignment directories can be consolidated using the scripts in
`scripts/alignment_db_scripts/`. First, run `create_alignment_db.py` to
consolidate an alignment directory into a pair of database and index files.
Once all alignment directories (or shards of a single alignment directory)
have been compiled, unify the indices with `unify_alignment_db_indices.py`. The
resulting index, `super.index`, can be passed to the training script flags
containing the phrase `alignment_index`. In this scenario, the `alignment_dir`
flags instead represent the directory containing the compiled alignment
databases. Both the training and distillation datasets can be compiled in this
way. Anecdotally, this can speed up training in I/O-bottlenecked environments.
## Testing
To run unit tests, use
```bash
scripts/run_unit_tests.sh
```
The script is a thin wrapper around Python's `unittest` suite, and recognizes
`unittest` arguments. E.g., to run a specific test verbosely:
```bash
scripts/run_unit_tests.sh -v tests.test_model
```
Certain tests require that AlphaFold (v2.0.1) be installed in the same Python
environment. These run components of AlphaFold and OpenFold side by side and
ensure that output activations are adequately similar. For most modules, we
target a maximum pointwise difference of `1e-4`.
## Building and Using the Docker Container
**Building the Docker Image**
Openfold can be built as a docker container using the included dockerfile. To build it, run the following command from the root of this repository:
```bash
docker build -t openfold .
```
**Running the Docker Container**
The built container contains both `run_pretrained_openfold.py` and `train_openfold.py` as well as all necessary software dependencies. It does not contain the model parameters, sequence, or structural databases. These should be downloaded to the host machine following the instructions in the Usage section above.
The docker container installs all conda components to the base conda environment in `/opt/conda`, and installs openfold itself in `/opt/openfold`,
Before running the docker container, you can verify that your docker installation is able to properly communicate with your GPU by running the following command:
```bash
docker run --rm --gpus all nvidia/cuda:11.0-base nvidia-smi
```
Note the `--gpus all` option passed to `docker run`. This option is necessary in order for the container to use the GPUs on the host machine.
To run the inference code under docker, you can use a command like the one below. In this example, parameters and sequences from the alphafold dataset are being used and are located at `/mnt/alphafold_database` on the host machine, and the input files are located in the current working directory. You can adjust the volume mount locations as needed to reflect the locations of your data.
```bash
docker run \
--gpus all \
-v $PWD/:/data \
-v /mnt/alphafold_database/:/database \
-ti openfold:latest \
python3 /opt/openfold/run_pretrained_openfold.py \
/data/fasta_dir \
/database/pdb_mmcif/mmcif_files/ \
--uniref90_database_path /database/uniref90/uniref90.fasta \
--mgnify_database_path /database/mgnify/mgy_clusters_2018_12.fa \
--pdb70_database_path /database/pdb70/pdb70 \
--uniclust30_database_path /database/uniclust30/uniclust30_2018_08/uniclust30_2018_08 \
--output_dir /data \
--bfd_database_path /database/bfd/bfd_metaclust_clu_complete_id30_c90_final_seq.sorted_opt \
--model_device cuda:0 \
--jackhmmer_binary_path /opt/conda/bin/jackhmmer \
--hhblits_binary_path /opt/conda/bin/hhblits \
--hhsearch_binary_path /opt/conda/bin/hhsearch \
--kalign_binary_path /opt/conda/bin/kalign \
--openfold_checkpoint_path /database/openfold_params/finetuning_ptm_2.pt
```
## Copyright Notice
While AlphaFold's and, by extension, OpenFold's source code is licensed under
the permissive Apache Licence, Version 2.0, DeepMind's pretrained parameters
fall under the CC BY 4.0 license, a copy of which is downloaded to
`openfold/resources/params` by the installation script. Note that the latter
replaces the original, more restrictive CC BY-NC 4.0 license as of January 2022.
## Contributing
If you encounter problems using OpenFold, feel free to create an issue! We also
welcome pull requests from the community.
## Citing this Work
Please cite our paper:
```bibtex
@article {Ahdritz2022.11.20.517210,
author = {Ahdritz, Gustaf and Bouatta, Nazim and Floristean, Christina and Kadyan, Sachin and Xia, Qinghui and Gerecke, William and O{\textquoteright}Donnell, Timothy J and Berenberg, Daniel and Fisk, Ian and Zanichelli, Niccolò and Zhang, Bo and Nowaczynski, Arkadiusz and Wang, Bei and Stepniewska-Dziubinska, Marta M and Zhang, Shang and Ojewole, Adegoke and Guney, Murat Efe and Biderman, Stella and Watkins, Andrew M and Ra, Stephen and Lorenzo, Pablo Ribalta and Nivon, Lucas and Weitzner, Brian and Ban, Yih-En Andrew and Sorger, Peter K and Mostaque, Emad and Zhang, Zhao and Bonneau, Richard and AlQuraishi, Mohammed},
title = {{O}pen{F}old: {R}etraining {A}lpha{F}old2 yields new insights into its learning mechanisms and capacity for generalization},
elocation-id = {2022.11.20.517210},
year = {2022},
doi = {10.1101/2022.11.20.517210},
publisher = {Cold Spring Harbor Laboratory},
URL = {https://www.biorxiv.org/content/10.1101/2022.11.20.517210},
eprint = {https://www.biorxiv.org/content/early/2022/11/22/2022.11.20.517210.full.pdf},
journal = {bioRxiv}
}
```
If you use OpenProteinSet, please also cite:
```bibtex
@misc{ahdritz2023openproteinset,
title={{O}pen{P}rotein{S}et: {T}raining data for structural biology at scale},
author={Gustaf Ahdritz and Nazim Bouatta and Sachin Kadyan and Lukas Jarosch and Daniel Berenberg and Ian Fisk and Andrew M. Watkins and Stephen Ra and Richard Bonneau and Mohammed AlQuraishi},
year={2023},
eprint={2308.05326},
archivePrefix={arXiv},
primaryClass={q-bio.BM}
}
```
Any work that cites OpenFold should also cite [AlphaFold](https://www.nature.com/articles/s41586-021-03819-2) and [AlphaFold-Multimer](https://www.biorxiv.org/content/10.1101/2021.10.04.463034v1) if applicable.
environment.yml
View file @ 3bec3e9b
name: openfold-venv
name: openfold-env
channels:
- conda-forge
- bioconda
- pytorch
- nvidia
dependencies:
- python=3.9
- python=3.10
- libgcc=7.2
- setuptools=59.5.0
- pip
- openmm=7.7
- pdbfixer
- pytorch-lightning
- biopython==1.79
- biopython
- numpy
- pandas
- PyYAML==5.4.1
......@@ -24,11 +24,12 @@ dependencies:
- modelcif==0.7
- awscli
- ml-collections
- mkl=2022.1
- aria2
- git
- bioconda::hmmer==3.3.2
- bioconda::hhsuite==3.3.0
- bioconda::kalign2==2.04
- bioconda::hmmer
- bioconda::hhsuite
- bioconda::kalign2
- pytorch::pytorch=2.1
- pytorch::pytorch-cuda=12.1
- pip:
......
examples/monomer/alignments/6KWC_1/bfd_uniref_hits.a3m 0 → 100644
View file @ 3bec3e9b
This source diff could not be displayed because it is too large. You can view the blob instead.
examples/monomer/alignments/6KWC_1/hhsearch_output.hhr 0 → 100644
View file @ 3bec3e9b
Query 6KWC_1
Match_columns 191
No_of_seqs 118 out of 3259
Neff 6.12143
Searched_HMMs 80799
Date Fri May 3 07:42:23 2024
Command /home/jennifer.wei/miniforge3/envs/sanity-check-setup-improvements-1/bin/hhsearch -i /tmp/tmppltovqxq/query.a3m -o /home/jennifer.wei/update-test/example_monomer/alignments/6KWC_1/hhsearch_output.hhr -maxseq 1000000 -cpu 2 -d /bgfs02/PSIVANT/External/Openfold/Common/Datasets/af_dbs/pdb70/pdb70
No Hit Prob E-value P-value Score SS Cols Query HMM Template HMM
1 2DFB_A Endo-1,4-beta-xylanase 100.0 3.8E-67 4.6E-72 433.5 0.0 189 3-191 2-190 (190)
2 3AKQ_A xylanase (E.C.3.2.1.8); 100.0 3.8E-67 4.6E-72 433.5 0.0 189 3-191 2-190 (190)
3 1TE1_B xylanase inhibitor prot 100.0 7.3E-66 9.1E-71 426.0 0.0 188 3-191 3-190 (190)
4 1H1A_B ENDOXYLANASE 11A (E.C.3 100.0 8.5E-66 1.1E-70 426.0 0.0 188 4-191 4-191 (191)
5 5HXV_D Endo-1,4-beta-xylanase 100.0 1.1E-65 1.4E-70 424.9 0.0 188 3-191 3-190 (190)
6 1XNK_A endoxylanase 11A (E.C.3 100.0 1.3E-65 1.7E-70 426.2 0.0 188 4-191 4-191 (196)
7 1PVX_A PROTEIN (ENDO-1,4-BETA- 100.0 2.4E-65 3E-70 424.1 0.0 188 4-191 3-191 (194)
8 3WP3_A Endo-1,4-beta-xylanase 100.0 2.5E-65 3.1E-70 427.5 0.0 187 4-191 21-207 (207)
9 1YNA_A ENDO-1,4-BETA-XYLANASE; 100.0 2.7E-65 3.3E-70 423.8 0.0 188 4-191 3-191 (194)
10 3MF9_A Endo-1,4-beta-xylanase 100.0 7.5E-65 9.3E-70 420.9 0.0 185 4-191 7-191 (193)
11 3MF6_A Endo-1,4-beta-xylanase 100.0 8.9E-65 1.1E-69 420.4 0.0 185 4-191 7-191 (193)
12 2VGD_A ENXYN11A (E.C.3.2.1.8); 100.0 6.6E-64 8.2E-69 422.0 0.0 187 4-191 28-215 (218)
13 2VUJ_A GH11 XYLANASE (E.C.3.2. 100.0 7.2E-64 9E-69 421.9 0.0 187 4-191 28-215 (219)
14 1F5J_B BETA-1,4-XYLANASE (E.C. 100.0 5E-63 6.2E-68 411.8 0.0 186 4-191 3-193 (199)
15 1H4G_A XYLANASE (E.C.3.2.1.8); 100.0 7.6E-63 9.5E-68 412.8 0.0 188 3-191 3-197 (207)
16 1QH7_A XYLANASE (E.C.3.2.1.8); 100.0 7.6E-63 9.5E-68 412.8 0.0 188 3-191 3-197 (207)
17 2F6B_A Family 11 Xylanase; Alk 100.0 9.9E-63 1.2E-67 411.9 0.0 188 3-191 3-197 (206)
18 4IXL_A xylanase (E.C.3.2.1.8); 100.0 1.1E-62 1.4E-67 420.1 0.0 187 4-191 37-230 (244)
19 5EJ3_B Endo-1,4-beta-xylanase 100.0 1.2E-62 1.4E-67 417.8 0.0 185 4-191 46-231 (234)
20 2DCZ_A Endo-1,4-beta-xylanase 100.0 1.2E-62 1.5E-67 405.3 0.0 178 12-191 2-185 (185)
21 5VQJ_A exo-beta-1,4-xylanase; 100.0 1.2E-61 1.5E-66 407.4 0.0 186 3-191 6-215 (217)
22 5TVY_B Endo-1,4-beta-xylanase 100.0 1.5E-61 1.9E-66 399.6 0.0 179 11-191 4-188 (188)
23 1T6G_C xylanase inhibitor (E.C 100.0 2.1E-61 2.6E-66 397.5 0.0 179 11-191 2-183 (184)
24 1XYN_A ENDO-1,4-BETA-XYLANASE 100.0 2.8E-61 3.5E-66 395.1 0.0 175 12-191 2-177 (178)
25 2QZ2_A Endo-1,4-beta-xylanase 100.0 3.6E-61 4.5E-66 396.2 0.0 179 11-191 2-183 (184)
26 6QE8_A Endo-1,4-beta-xylanase 100.0 7E-61 8.7E-66 401.5 0.0 182 8-191 26-210 (211)
27 6KKA_B Endo-1,4-beta-xylanase 100.0 2.3E-60 2.9E-65 420.9 0.0 186 4-190 3-195 (327)
28 3M4F_C Endo-1,4-beta-xylanase 100.0 5.2E-60 6.4E-65 394.6 0.0 180 9-191 25-205 (205)
29 2DCJ_B xylanase J (E.C.3.2.1.8 100.0 8.6E-60 1.1E-64 420.9 0.0 187 3-190 29-222 (354)
30 2DCK_A xylanase J (E.C.3.2.1.8 100.0 8.6E-60 1.1E-64 420.9 0.0 187 3-190 29-222 (354)
31 2VG9_A BIFUNCTIONAL ENDO-1,4-B 100.0 6E-59 7.5E-64 391.7 0.0 184 3-191 8-212 (217)
32 2C1F_A BIFUNCTIONAL ENDO-1,4-B 100.0 3.7E-58 4.6E-63 390.6 0.0 184 4-191 9-214 (234)
33 1AXK_B GLUXYN-1; GLUXYN-1, BIF 100.0 1E-57 1.3E-62 411.9 0.0 180 10-191 156-341 (394)
34 3WP5_A CDBFV; xylanase, regula 100.0 1.2E-56 1.4E-61 380.2 0.0 185 3-189 18-219 (227)
35 3WP4_A CDBFV; xylanase, regula 100.0 4.2E-56 5.2E-61 376.9 0.0 184 4-189 20-220 (228)
36 3WP6_A CDBFV; xylanase, regula 100.0 4.6E-56 5.6E-61 376.7 0.0 186 3-190 19-221 (228)
37 5GYC_A Endo-1,4-beta-xylanase 100.0 2.6E-54 3.2E-59 374.5 0.0 181 10-190 40-256 (281)
38 5GYF_A Endo-1,4-beta-xylanase 100.0 6E-54 7.4E-59 372.0 0.0 182 9-190 39-256 (281)
39 5GV1_A Endo-1,4-beta-xylanase 100.0 1E-53 1.2E-58 375.0 0.0 180 10-189 76-291 (322)
40 3LB9_A Endo-1,4-beta-xylanase 100.0 6.3E-36 7.8E-41 246.6 0.0 118 10-129 64-182 (182)
41 3LB9_A Endo-1,4-beta-xylanase 99.6 8.5E-20 1.1E-24 151.3 0.0 59 133-191 1-63 (182)
42 1H8V_F ENDO-BETA-1,4-GLUCANASE 65.8 4.6 5.7E-05 34.8 0.0 93 84-188 113-210 (218)
43 1OA4_A ENDO-BETA-1,4-GLUCANASE 63.7 5.4 6.7E-05 34.6 0.0 91 85-187 118-212 (222)
44 1OA3_C ENDO-BETA-1-4-GLUCANASE 58.3 7.9 9.7E-05 33.4 0.0 93 84-188 113-210 (218)
45 1KS5_A Aspergillus niger Endog 55.4 9.5 0.00012 33.0 0.0 93 84-184 113-210 (223)
46 1KS4_A Aspergillus niger Endog 53.8 10 0.00013 32.8 0.0 93 84-184 113-210 (223)
47 5GM5_C Endoglucanase-1 (E.C.3. 52.3 12 0.00014 32.4 0.0 93 84-188 114-212 (220)
48 1OLR_A ENDO-BETA-1,4-GLUCANASE 49.0 14 0.00017 32.0 0.0 89 84-184 117-211 (224)
49 1UU5_A ENDO-BETA-1,4-GLUCANASE 49.0 14 0.00017 32.0 0.0 89 84-184 117-211 (224)
50 1OA2_D ENDO-BETA-1,4-GLUCANASE 47.6 15 0.00019 31.7 0.0 93 84-188 113-210 (218)
51 5M2D_A Beta-xylanase (E.C.3.2. 46.1 17 0.00021 31.9 0.0 89 84-184 129-222 (235)
52 2NLR_A ENDOGLUCANASE (E.C.3.2. 44.1 19 0.00023 31.7 0.0 92 85-188 118-213 (234)
53 2JEN_A ENDO-BETA-1,4-GLUCANASE 41.8 22 0.00027 31.9 0.0 98 84-188 152-253 (261)
54 5GM4_E Endoglucanase-1 (E.C.3. 40.7 23 0.00029 30.6 0.0 93 84-188 113-211 (219)
55 5GM3_A Endoglucanase-1 (E.C.3. 40.0 24 0.0003 30.5 0.0 89 84-184 113-206 (219)
56 2BW8_A ENDOGLUCANASE (E.C.3.2. 39.3 25 0.00031 30.6 0.0 90 85-187 122-216 (227)
57 4G6T_B Type III chaperone prot 36.8 29 0.00036 26.3 0.0 16 105-120 6-21 (82)
58 3VLB_B EDGP, Xyloglucan-specif 31.6 40 0.0005 29.3 0.0 91 84-184 114-209 (222)
59 3B7M_C CELLULASE (E.C.3.2.1.4) 27.3 53 0.00066 28.4 0.0 92 84-187 111-207 (216)
60 1H0B_B CELLULASE (E.C.3.2.1.4) 26.2 58 0.00071 29.2 0.0 91 84-187 121-216 (256)
No 1
>2DFB_A Endo-1,4-beta-xylanase 2 (E.C.3.2.1.8); bent beta sheet, HYDROLASE; 1.11A {Hypocrea jecorina} SCOP: b.29.1.11
Probab=100.00 E-value=3.8e-67 Score=433.53 Aligned_cols=189 Identities=99% Similarity=1.595 Sum_probs=182.2 Template_Neff=5.600
Q 6KWC_1 3 TIQPGTGYNNGYFYSYWNDGHGGVTYTNGPGGQFSVNWSNSGEFVGGKGWQPGTKNKVINFSGSYNPNGNSYLSVYGWSR 82 (191)
Q Consensus 3 ~~~~~~G~~~Gy~y~~W~d~~g~~~~~~~~~g~f~~~W~~~~~~~~gkG~~~g~~~~~~~y~~~~~~~g~sy~gvYGWt~ 82 (191)
+.++++|.+++|+|++|.|+.+.++|++.++|+|+|+|++.+||++||||+++..+|+|+|+++|+|+|++||+||||++
T Consensus 2 ~~~~~~g~~~gy~y~~W~dg~~~~~~t~~~~G~fs~~W~~~~nfv~GkGw~~g~~~r~i~Ysg~~~~~g~syl~vYGWt~ 81 (190)
T 2DFB_A 2 TIQPGTGYNNGYFYSYWNDGHGGVTYTNGPGGQFSVNWSNSGNFVGGKGWQPGTKNKVINFSGSYNPNGNSYLSVYGWSR 81 (190)
T ss_dssp EECSEEEEETTEEEEEEECSCCCEEEEECSTTEEEEEESSCCEEEEEEEESSCCSSCEEEEEEEEEEESSEEEEEEEEEE
T ss_pred CCCCCcceecceeeeeEEcCCCeeeEECCCCCceEEEEecCCCeEEeceeCCCCCceEEEEEEEeCCCCCeEEEeeecCC
Confidence 45678899999999999998777899998999999999999999999999999877999999999999999999999999
Q 6KWC_1 83 NPLIEYYIVENFGTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRNHRSSGSVNTANHFNAWAQ 162 (191)
Q Consensus 83 nPlvEYYIvE~wg~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR~~~r~~GtI~~~~HF~aW~~ 162 (191)
+|||||||||+|+.++|+.+++++|++++||++||||++.|.++|||+|+.+|+||||||+++|++|+|++++||+||++
T Consensus 82 nPlvEyYIve~~g~~~P~~~~~~~Gt~~sDG~tYdiy~~~r~n~PSi~Gt~tF~QywSVR~~~r~~GtIt~~~Hf~aW~~ 161 (190)
T 2DFB_A 82 NPLIEYYIVENFGTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRNHRSSGSVNTANHFNAWAQ 161 (190)
T ss_dssp TTTEEEEEEEEESSCCTTTTCEEEEEEEETTEEEEEEEEEEEEECCTTSSEEEEEEEEEESSCCSSEEEEHHHHHHHHHH
T ss_pred CcceeEEEEeecceecCCCCceEeeEEEECCCEEEEEEeeecCCCceeCCceeEEEEEecccCCCceEeehHHHHHHHHH
Confidence 99999999999999999988889999999999999999999999999999999999999999999999999999999999
Q 6KWC_1 163 QGLTLGTMDYQIVAVQGYFSSGSASITVS 191 (191)
Q Consensus 163 ~Gl~lG~~~~~~~~vEgy~ssG~a~vtvs 191 (191)
+||+||+++||+|+||||.|||+|+|||+
T Consensus 162 ~G~~lG~~~~qi~a~Eg~~ssG~a~vtv~ 190 (190)
T 2DFB_A 162 QGLTLGTMDYQIVAVEGYFSSGSASITVS 190 (190)
T ss_dssp TTCCCCEEEEEEEEEEEESCEEEEEEEEC
T ss_pred cCCCCCCCceEEEEEEcccccceEEEEeC
Confidence 99999999999999999999999999986
No 2
>3AKQ_A xylanase (E.C.3.2.1.8); xylanase, HYDROLASE; 0.97A {Trichoderma longibrachiatum}
Probab=100.00 E-value=3.8e-67 Score=433.53 Aligned_cols=189 Identities=99% Similarity=1.595 Sum_probs=182.2 Template_Neff=5.600
Q 6KWC_1 3 TIQPGTGYNNGYFYSYWNDGHGGVTYTNGPGGQFSVNWSNSGEFVGGKGWQPGTKNKVINFSGSYNPNGNSYLSVYGWSR 82 (191)
Q Consensus 3 ~~~~~~G~~~Gy~y~~W~d~~g~~~~~~~~~g~f~~~W~~~~~~~~gkG~~~g~~~~~~~y~~~~~~~g~sy~gvYGWt~ 82 (191)
+.++++|.+++|+|++|.|+.+.++|++.++|+|+|+|++.+||++||||+++..+|+|+|+++|+|+|++||+||||++
T Consensus 2 ~~~~~~g~~~gy~y~~W~dg~~~~~~t~~~~G~fs~~W~~~~nfv~GkGw~~g~~~r~i~Ysg~~~~~g~syl~vYGWt~ 81 (190)
T 3AKQ_A 2 TIQPGTGYNNGYFYSYWNDGHGGVTYTNGPGGQFSVNWSNSGNFVGGKGWQPGTKNKVINFSGSYNPNGNSYLSVYGWSR 81 (190)
T ss_dssp EECSEEEEETTEEEEEEECSCSCEEEEECSTTEEEEEESSCCEEEEEEEESSCCSSCEEEEEEEEEEESSEEEEEEEEEE
T ss_pred CCCCCcceecceeeeeEEcCCCeeeEECCCCCceEEEEecCCCeEEeceeCCCCCceEEEEEEEeCCCCCeEEEeeecCC
Confidence 45678899999999999998777899998999999999999999999999999877999999999999999999999999
Q 6KWC_1 83 NPLIEYYIVENFGTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRNHRSSGSVNTANHFNAWAQ 162 (191)
Q Consensus 83 nPlvEYYIvE~wg~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR~~~r~~GtI~~~~HF~aW~~ 162 (191)
+|||||||||+|+.++|+.+++++|++++||++||||++.|.++|||+|+.+|+||||||+++|++|+|++++||+||++
T Consensus 82 nPlvEyYIve~~g~~~P~~~~~~~Gt~~sDG~tYdiy~~~r~n~PSi~Gt~tF~QywSVR~~~r~~GtIt~~~Hf~aW~~ 161 (190)
T 3AKQ_A 82 NPLIEYYIVENFGTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRNHRSSGSVNTANHFNAWAQ 161 (190)
T ss_dssp TTTEEEEEEEEESSCCTTTTCCEEEEEEETTEEEEEEEEEEEEECCTTSSEEEEEEEEEESSCCSSEEEEHHHHHHHHHH
T ss_pred CcceeEEEEeecceecCCCCceEeeEEEECCCEEEEEEeeecCCCceeCCceeEEEEEecccCCCceEeehHHHHHHHHH
Confidence 99999999999999999988889999999999999999999999999999999999999999999999999999999999
Q 6KWC_1 163 QGLTLGTMDYQIVAVQGYFSSGSASITVS 191 (191)
Q Consensus 163 ~Gl~lG~~~~~~~~vEgy~ssG~a~vtvs 191 (191)
+||+||+++||+|+||||.|||+|+|||+
T Consensus 162 ~G~~lG~~~~qi~a~Eg~~ssG~a~vtv~ 190 (190)
T 3AKQ_A 162 QGLTLGTMDYQIVAVEGYFSSGSASITVS 190 (190)
T ss_dssp TTCCCCEEEEEEEEEEEESCEEEEEEEEC
T ss_pred cCCCCCCCceEEEEEEcccccceEEEEeC
Confidence 99999999999999999999999999986
No 3
>1TE1_B xylanase inhibitor protein I, endo-1,4-xylanase; BETA/ALPHA BARREL (XIP-I) and BETA; HET: EDO, NAG; 2.5A {Triticum aestivum} SCOP: b.29.1.11
Probab=100.00 E-value=7.3e-66 Score=425.96 Aligned_cols=188 Identities=60% Similarity=1.155 Sum_probs=180.8 Template_Neff=5.700
Q 6KWC_1 3 TIQPGTGYNNGYFYSYWNDGHGGVTYTNGPGGQFSVNWSNSGEFVGGKGWQPGTKNKVINFSGSYNPNGNSYLSVYGWSR 82 (191)
Q Consensus 3 ~~~~~~G~~~Gy~y~~W~d~~g~~~~~~~~~g~f~~~W~~~~~~~~gkG~~~g~~~~~~~y~~~~~~~g~sy~gvYGWt~ 82 (191)
.++++.|.+++|+|++|+|+.+.++|++.++|+|+|+|++.+||++||||+++. .|+|+|+++|+|+|++||+||||++
T Consensus 3 ~~~~~~g~~~gy~y~~W~d~~~~~~~~~~~~G~fs~~W~~~~nfv~GkGw~~g~-~~~i~y~g~~~~~g~~yl~vYGWt~ 81 (190)
T 1TE1_B 3 ITTSQTGTNNGYYYSFWTNGGGEVTYTNGDNGEYSVTWVDCGDFTSGKGWNPAN-AQTVTYSGEFNPSGNAYLAVYGWTT 81 (190)
T ss_dssp BCSCEEEESSSCEEEEEECSCSEEEEEECSTTEEEEEEESCSEEEEEEEESSCC-SCEEEEEEEEEEESSEEEEEEEEEE
T ss_pred eeccccccccceeeeeeecCCCeeEEECCCCCcEEEEEEcCCCEEEeccccCCC-CeEEEEEEEeCCCCceEEEEEeccC
Confidence 356788899999999999987778999999999999999999999999999998 5899999999999999999999999
Q 6KWC_1 83 NPLIEYYIVENFGTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRNHRSSGSVNTANHFNAWAQ 162 (191)
Q Consensus 83 nPlvEYYIvE~wg~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR~~~r~~GtI~~~~HF~aW~~ 162 (191)
+|||||||||+|+.++|+.+.+++|++++||++||||++.|+|+|||+|+.+|+||||||+++|++|+|++++||+||++
T Consensus 82 nPlvEYYIve~~g~~~P~~~~~~~Gt~tsDG~tYdiy~~~r~n~PsI~Gt~tF~QywSVR~~~r~~GtI~~~~Hf~aW~~ 161 (190)
T 1TE1_B 82 DPLVEYYILESYGTYNPSSGLTSLGQVTSDGGTYDIYSTQRVNQPSIEGTSTFNQYWSVRTEKRVGGTVTTANHFAAWKA 161 (190)
T ss_dssp TTTEEEEEEEEESSSCSCSSSCCCCCCBCSSSBCCEEEEEEEEECBTTSSEEEEEEEECCSSCCSEEEEEHHHHHHHHHH
T ss_pred CcceeEEEEeecccccCCCCceEeeEEEEcCCEEEEEEeeeCCCCcccCCceeEEEEEccCCccCccEEEhHHHHHHHHH
Confidence 99999999999999999987889999999999999999999999999999999999999999999999999999999999
Q 6KWC_1 163 QGLTLGTMDYQIVAVQGYFSSGSASITVS 191 (191)
Q Consensus 163 ~Gl~lG~~~~~~~~vEgy~ssG~a~vtvs 191 (191)
+||+||+++||+|+||||.|||+|+|||+
T Consensus 162 ~G~~lG~~~~qi~a~Eg~~ssG~a~~tv~ 190 (190)
T 1TE1_B 162 LGLEMGTYNYMIVSTEGYESSGSSTITVS 190 (190)
T ss_dssp TTCCCCEEEEEEEEEEEESCEEEEEEEEC
T ss_pred cCCCcCCcceEEEEEeccccceeEEEEeC
Confidence 99999999999999999999999999986
No 4
>1H1A_B ENDOXYLANASE 11A (E.C.3.2.1.8); HYDROLASE, XYLANASE, GLYCOSYL HYDROLASE, FAMILY; HET: SO4, PCA; 1.75A {Chaetomium thermophilum} SCOP: b.29.1.11
Probab=100.00 E-value=8.5e-66 Score=425.96 Aligned_cols=188 Identities=64% Similarity=1.255 Sum_probs=181.0 Template_Neff=5.800
Q 6KWC_1 4 IQPGTGYNNGYFYSYWNDGHGGVTYTNGPGGQFSVNWSNSGEFVGGKGWQPGTKNKVINFSGSYNPNGNSYLSVYGWSRN 83 (191)
Q Consensus 4 ~~~~~G~~~Gy~y~~W~d~~g~~~~~~~~~g~f~~~W~~~~~~~~gkG~~~g~~~~~~~y~~~~~~~g~sy~gvYGWt~n 83 (191)
+++..+.+++|+|++|.|+.+.++|++.++|+|+|+|++.+||++||||+++..+|+|+|+++|+|+|++||+||||+++
T Consensus 4 ~~~~~g~~~gy~y~~W~dg~g~~~~t~~~~G~ys~~W~~~~nfv~gkGw~~g~~~r~i~y~~~~~~~g~syl~vYGWt~n 83 (191)
T 1H1A_B 4 TSSATGTHNGYYYSFWTDGQGNIRFNLESGGQYSVTWSGNGNWVGGKGWNPGTDNRVINYTADYRPNGNSYLAVYGWTRN 83 (191)
T ss_dssp SSSEEEEETTEEEEEEECSCSEEEEEECSTTEEEEEEESSCEEEEEEEESSCCTTCEEEEEEEEEEESSEEEEEEEEEET
T ss_pred cccceecccCeeeeeEecCCCeEEEEcCCCCeEEEEEeCCCCEEEecccCCCCCceEEEEEEEeCCCCceEEEEEecCCC
Confidence 46678899999999999987778899989999999999999999999999998679999999999999999999999999
Q 6KWC_1 84 PLIEYYIVENFGTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRNHRSSGSVNTANHFNAWAQQ 163 (191)
Q Consensus 84 PlvEYYIvE~wg~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR~~~r~~GtI~~~~HF~aW~~~ 163 (191)
|||||||||+|+.++|+.+++++|++++||++||||++.|+|+|||+|+.+|+||||||+++|.+|+|++++||+||+++
T Consensus 84 PlvEYYIve~~g~~~P~~~~~~~Gt~~sDG~tYdiy~~~r~n~PSI~Gt~tF~QywSVR~~~r~~GtIt~~~Hf~aW~~~ 163 (191)
T 1H1A_B 84 PLIEYYVVESFGTYDPSTGATRMGSVTTDGGTYNIYRTQRVNAPSIEGTKTFYQYWSVRTSKRTGGTVTMANHFNAWRQA 163 (191)
T ss_dssp TTEEEEEEEEESSSCTTTTSEEEEEEEETTEEEEEEEEEEEEECCTTSSEEEEEEEEEESSCCSEEEEEHHHHHHHHHHT
T ss_pred CceeEEEEeecceecCCCCcEEeeEEEEcCCEEEEEEeeeCCCCcccCCceeEEEEEecccccCcceEehhHHHHHHHHh
Confidence 99999999999999999888899999999999999999999999999999999999999999999999999999999999
Q 6KWC_1 164 GLTLGTMDYQIVAVQGYFSSGSASITVS 191 (191)
Q Consensus 164 Gl~lG~~~~~~~~vEgy~ssG~a~vtvs 191 (191)
||+||+++||||+||||.|||+|+|||+
T Consensus 164 G~~lG~~~yqi~a~Eg~~ssG~a~vtv~ 191 (191)
T 1H1A_B 164 GLQLGSHDYQIVATEGYYSSGSATVNVG 191 (191)
T ss_dssp TCCCSEEEEEEEEEEEESCEEEEEEEEC
T ss_pred CCCCCCCceEEEEEEeccccceEEEEeC
Confidence 9999999999999999999999999985
No 5
>5HXV_D Endo-1,4-beta-xylanase (E.C.3.2.1.8); Glycoside hydrolase family 11 Endo-xylanase; 2.0A {Talaromyces cellulolyticus CF-2612}
Probab=100.00 E-value=1.1e-65 Score=424.91 Aligned_cols=188 Identities=59% Similarity=1.146 Sum_probs=180.8 Template_Neff=5.800
Q 6KWC_1 3 TIQPGTGYNNGYFYSYWNDGHGGVTYTNGPGGQFSVNWSNSGEFVGGKGWQPGTKNKVINFSGSYNPNGNSYLSVYGWSR 82 (191)
Q Consensus 3 ~~~~~~G~~~Gy~y~~W~d~~g~~~~~~~~~g~f~~~W~~~~~~~~gkG~~~g~~~~~~~y~~~~~~~g~sy~gvYGWt~ 82 (191)
.++++.|.+++|+|++|.|+.+.+++++.++|+|+|+|++.+||++||||+++. .++|+|+++|+|+|++||+||||++
T Consensus 3 ~~~~~~g~~~gy~y~~w~d~~~~~s~~~~~~G~fs~~W~~~~nfv~GkGw~~g~-~~~i~y~~~~~~~g~syl~vYGWt~ 81 (190)
T 5HXV_D 3 ITTSQTGTHNGYYYSFWTNGGGEVTMCLGPGGEYSVTWVNCGDFTSGKGWNPAN-AQTVTYSGEFNPNGNAYLAVYGWTT 81 (190)
T ss_dssp BCSCEEEEETTEEEEEEECSCSEEEEEECSTEEEEEEEESCSEEEEEEEESSCC-CCEEEEEEEEEESSEEEEEEEEEEE
T ss_pred eecccceeecceeeeeEecCCCeEeEEcCCCCceEEEEEcCCCEEEeccccCCC-CeEEEEEEEeCCCCceEEEEEeccC
Confidence 356788899999999999987778899989999999999999999999999998 5899999999999999999999999
Q 6KWC_1 83 NPLIEYYIVENFGTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRNHRSSGSVNTANHFNAWAQ 162 (191)
Q Consensus 83 nPlvEYYIvE~wg~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR~~~r~~GtI~~~~HF~aW~~ 162 (191)
+|||||||||+|+.++|+.+++++|++++||++||||++.|+++|||+|+.+|+||||||+++|++|+|++++||+||++
T Consensus 82 nPlvEYYIve~~g~~~P~~~~~~~Gt~tsDG~tY~iy~~~r~n~psI~Gt~tF~QywSVR~~~r~~GtI~~~~Hf~aW~~ 161 (190)
T 5HXV_D 82 DPLVEYYILESYGTYNPSSGLTLLGQVTSDGGTYDIYSTQRVDQPSIEGTSTFNQYWSVRTEKRVGGTVTTANHFAAWKA 161 (190)
T ss_dssp TTTEEEEEEEEESSCCTTTTCCCCEEEEETTEEEEEEEEEEEEECCTTSSEEEEEEEEEESSCCCSEEEEHHHHHHHHHH
T ss_pred CcceeEEEEEecceeCCCCCceEeeEEEECCCEEEEEEEeeCCCCcccCCceeEEEEEecccccCccEEEhHHHHHHHHH
Confidence 99999999999999999987889999999999999999999999999999999999999999999999999999999999
Q 6KWC_1 163 QGLTLGTMDYQIVAVQGYFSSGSASITVS 191 (191)
Q Consensus 163 ~Gl~lG~~~~~~~~vEgy~ssG~a~vtvs 191 (191)
+||+||+++||+|+||||.|+|+|+|||+
T Consensus 162 ~G~~lG~~~~qi~a~Eg~~ssG~a~vtv~ 190 (190)
T 5HXV_D 162 LGLEMGTYNYMIVSTEGYESSGSSTITVS 190 (190)
T ss_dssp TTCCCCEEEEEEEEEEEESCCEEEEEEEC
T ss_pred cCCCcCCcceEEEEEecccccceEEEEeC
Confidence 99999999999999999999999999996
No 6
>1XNK_A endoxylanase 11A (E.C.3.2.1.8); xylanase, glycoside hydrolase, family 11; HET: PCA, SO4, XS2; 1.55A {Chaetomium thermophilum} SCOP: b.29.1.11
Probab=100.00 E-value=1.3e-65 Score=426.21 Aligned_cols=188 Identities=64% Similarity=1.255 Sum_probs=181.0 Template_Neff=5.700
Q 6KWC_1 4 IQPGTGYNNGYFYSYWNDGHGGVTYTNGPGGQFSVNWSNSGEFVGGKGWQPGTKNKVINFSGSYNPNGNSYLSVYGWSRN 83 (191)
Q Consensus 4 ~~~~~G~~~Gy~y~~W~d~~g~~~~~~~~~g~f~~~W~~~~~~~~gkG~~~g~~~~~~~y~~~~~~~g~sy~gvYGWt~n 83 (191)
+++..|.+++|+|++|+|+.+.++|++.++|+|+|+|++.+||++||||+++..+|+|+|+++|+|+|++||+||||+++
T Consensus 4 ~~~~~g~~~gy~y~~W~dg~g~~~~t~~~~g~ys~~W~~~gnfv~gkGw~~g~~~r~i~y~~~~~~~g~syl~vYGWt~n 83 (196)
T 1XNK_A 4 TSSATGTHNGYYYSFWTDGQGNIRFNLESGGQYSVTWSGNGNWVGGKGWNPGTDNRVINYTADYRPNGNSYLAVYGWTRN 83 (196)
T ss_dssp CSSEEEEETTEEEEEEECSCSEEEEEECSTTEEEEEEESSCEEEEEEEESSCCTTCEEEEEEEEEEEEEEEEEEEEEEET
T ss_pred cccceecccCeeeeeEecCCCeEEEEcCCCCeEEEEEeCCCCEEEeceeCCCCCceEEEEEEEeCCCCceEEEEEecCCC
Confidence 45678899999999999987788899989999999999999999999999998779999999999999999999999999
Q 6KWC_1 84 PLIEYYIVENFGTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRNHRSSGSVNTANHFNAWAQQ 163 (191)
Q Consensus 84 PlvEYYIvE~wg~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR~~~r~~GtI~~~~HF~aW~~~ 163 (191)
|||||||||+|+.++|+.+++++|++++||++||||++.|+++|||+|+.+|+||||||+++|.+|+|++++||+||+++
T Consensus 84 PlvEYYIve~~g~~~P~~~~~~~Gt~tsDG~tYdiy~~~r~n~PSI~Gt~tF~QywSVR~~~r~~GtI~~~~Hf~aW~~~ 163 (196)
T 1XNK_A 84 PLIEYYVVESFGTYDPSTGATRMGSVTTDGGTYNIYRTQRVNAPSIEGTKTFYQYWSVRTSKRTGGTVTMANHFNAWRQA 163 (196)
T ss_dssp TTEEEEEEEEESSCCTTTTCEEEEEEEETTEEEEEEEEEEEEECCTTSSEEEEEEEEEESSCCSEEEEEHHHHHHHHHHT
T ss_pred cceeEEEEEecccccCCCCceEeeEEEEcCCEEEEEEeeeCCCCcccCCceeEEEEEecccccCceeEehhHHHHHHHHh
Confidence 99999999999999999888899999999999999999999999999999999999999999999999999999999999
Q 6KWC_1 164 GLTLGTMDYQIVAVQGYFSSGSASITVS 191 (191)
Q Consensus 164 Gl~lG~~~~~~~~vEgy~ssG~a~vtvs 191 (191)
||+||+++||||+||||.|||+|+|||+
T Consensus 164 G~~lG~~~yqi~a~Eg~~ssG~a~vtv~ 191 (196)
T 1XNK_A 164 GLQLGSHDYQIVATEGYYSSGSATVNVG 191 (196)
T ss_dssp TCCCCEEEEEEEEEEEEEEEEEEEEEEC
T ss_pred CCCCCCCceEEEEEEccccceEEEEEEe
Confidence 9999999999999999999999999985
No 7
>1PVX_A PROTEIN (ENDO-1,4-BETA-XYLANASE) (3.2.1.8); THERMOPHILIC, XYLANASE, FAMILY-11 OF GLYCOSYL; 1.59A {Paecilomyces variotii} SCOP: b.29.1.11
Probab=100.00 E-value=2.4e-65 Score=424.10 Aligned_cols=188 Identities=59% Similarity=1.141 Sum_probs=180.3 Template_Neff=5.700
Q 6KWC_1 4 IQPGTGYNNGYFYSYWNDGHGGVTYTNGPGGQFSVNWSNSGEFVGGKGWQPGTKNKVINFSGSYNPNGNSYLSVYGWSRN 83 (191)
Q Consensus 4 ~~~~~G~~~Gy~y~~W~d~~g~~~~~~~~~g~f~~~W~~~~~~~~gkG~~~g~~~~~~~y~~~~~~~g~sy~gvYGWt~n 83 (191)
+++++|.+++|+|++|.|+.+.++|++.++|.|+|+|++.+||++||||+++..+|+|+|+++|+|+|++||+||||+++
T Consensus 3 ~~~~~g~~~gy~y~~W~~~~~~~~~t~~~~G~fs~~W~~~~nfv~gkGw~~g~~~r~i~y~~~~~~~g~syl~vYGWt~~ 82 (194)
T 1PVX_A 3 TPNSEGWHDGYYYSWWSDGGGDSTYTNNSGGTYEITWGNGGNLVGGKGWNPGLNARAIHFTGVYQPNGTSYLSVYGWTRN 82 (194)
T ss_dssp CCCEEEEETTEEEEEEECSCSCEEEEECSTTEEEEEECSSSEEEEEEEESSCCSSCEEEEEEEEEESSSEEEEEEEEEET
T ss_pred CCCccceecCeeeeeEecCCCeeeEEcCCCCceEEEEeCCCCEEEecccCCCCCCceEEEEEEeCCCCceEEEEeecCCC
Confidence 45678899999999999987778899889999999999999999999999998679999999999999999999999999
Q 6KWC_1 84 PLIEYYIVENFGTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRNHRSSGSVNTANHFNAWAQQ 163 (191)
Q Consensus 84 PlvEYYIvE~wg~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR~~~r~~GtI~~~~HF~aW~~~ 163 (191)
|||||||||+|+.++|+.+.+++|++++||++||||++.|.|+|||+|+.+|+||||||+++|.+|+|++++||+||+++
T Consensus 83 PlvEYYIve~~g~~~P~~~~~~~Gt~tsDG~tYdiy~~~r~n~Psi~G~~tF~QywSVR~~~r~~GtIt~~~Hf~aW~~~ 162 (194)
T 1PVX_A 83 PLVEYYIVENFGSSNPSSGSTDLGTVSCDGSTYTLGQSTRYNAPSIDGTQTFNQYWSVRQDKRSSGTVQTGCHFDAWASA 162 (194)
T ss_dssp TTEEEEEEEEESSSCTTTTSEEEEEEEETTEEEEEEEEEEEEEEETTEEEEEEEEEEEESSCCSSEEEEHHHHHHHHHHT
T ss_pred CceeEEEEeeccccCCCCCceeceEEEECCCEEEEEEeeecCCCcccCCceeEEEEEecCCCCCceEEEhhHHHHHHHHc
Confidence 99999999999999999877899999999999999999999999999999999999999999999999999999999999
Q 6KWC_1 164 GLTL-GTMDYQIVAVQGYFSSGSASITVS 191 (191)
Q Consensus 164 Gl~l-G~~~~~~~~vEgy~ssG~a~vtvs 191 (191)
||+| |+++||+|+||||.|||+|+|||+
T Consensus 163 G~~lgg~~~~qi~a~Eg~~ssG~a~vt~~ 191 (194)
T 1PVX_A 163 GLNVTGDHYYQIVATEGYFSSGYARITVA 191 (194)
T ss_dssp TCCCCSEEEEEEEEEEEESSCEEEEEEEE
T ss_pred CCCCCCCcceEEEEEEeccceeEEEEEEe
Confidence 9999 589999999999999999999985
No 8
>3WP3_A Endo-1,4-beta-xylanase (E.C.3.2.1.8); Beta-jelly roll, Glycoside hydrolase, HYDROLASE; 1.98A {Talaromyces funiculosus}
Probab=100.00 E-value=2.5e-65 Score=427.46 Aligned_cols=187 Identities=59% Similarity=1.145 Sum_probs=180.0 Template_Neff=5.500
Q 6KWC_1 4 IQPGTGYNNGYFYSYWNDGHGGVTYTNGPGGQFSVNWSNSGEFVGGKGWQPGTKNKVINFSGSYNPNGNSYLSVYGWSRN 83 (191)
Q Consensus 4 ~~~~~G~~~Gy~y~~W~d~~g~~~~~~~~~g~f~~~W~~~~~~~~gkG~~~g~~~~~~~y~~~~~~~g~sy~gvYGWt~n 83 (191)
+++..+.+++|+|++|+|+.+.++|++.++|+|+|+|++.+||++||||+++. .|+|+|+++|+++|++||+||||+++
T Consensus 21 ~~~~~g~~~gy~y~~W~d~~~~~~~t~~~~G~fs~~W~~~~nfv~GkGw~~g~-~r~i~y~g~~~~~g~syl~vYGWt~n 99 (207)
T 3WP3_A 21 TTSQTGTNNGYYYSFWTNGGGEVTYTNGDNGEYSVTWVNCGDFTSGKGWNPAN-AQTVTYSGEFNTSGNAYLAVYGWTTD 99 (207)
T ss_dssp CSCEEEEETTEEEEEEECSCSEEEEEECSTTEEEEEEESCSEEEEEEEESSCC-CCEEEEEEEEEESSEEEEEEEEEEET
T ss_pred ecccceeecceeeeeEEcCCCeEEEECCCCCcEEEEEEcCCcEEEeccccCCC-CeEEEEEEEecCCCceEEEEEeccCC
Confidence 45677899999999999987778999989999999999999999999999998 69999999999999999999999999
Q 6KWC_1 84 PLIEYYIVENFGTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRNHRSSGSVNTANHFNAWAQQ 163 (191)
Q Consensus 84 PlvEYYIvE~wg~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR~~~r~~GtI~~~~HF~aW~~~ 163 (191)
|||||||||+|+.++|+.+++++|++++||++||||++.|+|+|||+|+.+|+||||||+++|++|+|++++||+||+++
T Consensus 100 PlvEYYIve~~g~~~P~~~~~~~Gt~tsDG~tYdiy~~~R~n~PSI~Gt~tF~QywSVR~~~r~~GtIt~~~Hf~aW~~~ 179 (207)
T 3WP3_A 100 PLVEYYILESYGTYNPSSGLTLLGQVTSDGGTYDIYSTQRVDQPSIEGTSTFNQYWSVRTEKRVGGTVTTANHFAAWKAL 179 (207)
T ss_dssp TTEEEEEEEEESSCCTTTTSEEEEEEEETTEEEEEEEEEEEEECCTTSSEEEEEEEEEESSCCSSEEEEHHHHHHHHHHT
T ss_pred CceeEEEEEecceecCCCCceEeeEEEECCCEEEEEEEeeCCCCcccCCceeEEEEEccccccCccEEEhHHHHHHHHHc
Confidence 99999999999999999888899999999999999999999999999999999999999999999999999999999999
Q 6KWC_1 164 GLTLGTMDYQIVAVQGYFSSGSASITVS 191 (191)
Q Consensus 164 Gl~lG~~~~~~~~vEgy~ssG~a~vtvs 191 (191)
||+||+++||+|+||||.|||+|+|||+
T Consensus 180 Gl~lG~~~~qi~a~Eg~~ssG~a~vtv~ 207 (207)
T 3WP3_A 180 GLEMGTYNYMIVSTEGYESSGSSTITVS 207 (207)
T ss_dssp TCCCCEEEEEEEEEEEESCCEEEEEEEC
T ss_pred CCCcCCcceEEEEEeccccceeEEEEeC
Confidence 9999999999999999999999999986
No 9
>1YNA_A ENDO-1,4-BETA-XYLANASE; HYDROLASE, XYLANASE; 1.55A {Thermomyces lanuginosus} SCOP: b.29.1.11
Probab=100.00 E-value=2.7e-65 Score=423.82 Aligned_cols=188 Identities=59% Similarity=1.151 Sum_probs=180.3 Template_Neff=5.700
Q 6KWC_1 4 IQPGTGYNNGYFYSYWNDGHGGVTYTNGPGGQFSVNWSNSGEFVGGKGWQPGTKNKVINFSGSYNPNGNSYLSVYGWSRN 83 (191)
Q Consensus 4 ~~~~~G~~~Gy~y~~W~d~~g~~~~~~~~~g~f~~~W~~~~~~~~gkG~~~g~~~~~~~y~~~~~~~g~sy~gvYGWt~n 83 (191)
++++.|.+++|+|++|.|+.+.++|++.++|.|+|+|++.+||++||||+++..+|+|+|+++|+|+|++||+||||+++
T Consensus 3 ~~~~~g~~~gy~y~~W~~~~~~~~~t~~~~G~ys~~W~~~~~fv~gkGw~~g~~~r~i~y~g~~~~~g~~yl~vYGWt~~ 82 (194)
T 1YNA_A 3 TPNSEGWHDGYYYSWWSDGGAQATYTNLEGGTYEISWGDGGNLVGGKGWNPGLNARAIHFEGVYQPNGNSYLAVYGWTRN 82 (194)
T ss_dssp CCCEEEEETTEEEEEEECSSSCEEEEECSTTEEEEEECSSSEEEEEEEESSCCSSCEEEEEEEEEEESSEEEEEEEEEET
T ss_pred CCCccceecCeeeeeEeeCCCeeEEEcCCCCeEEEEEeCCCCEEEecccCCCCCCceEEEEEEeCCCCceEEEEEecCCC
Confidence 46678899999999999987778999989999999999999999999999998779999999999999999999999999
Q 6KWC_1 84 PLIEYYIVENFGTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRNHRSSGSVNTANHFNAWAQQ 163 (191)
Q Consensus 84 PlvEYYIvE~wg~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR~~~r~~GtI~~~~HF~aW~~~ 163 (191)
|||||||||+|+.++|+.+++++|++++||++||||+..|.++|||+|+.+|+||||||+++|.+|+|++++||+||+++
T Consensus 83 PlvEYYIve~~g~~~P~~~~~~~Gt~tsDG~tYdiy~~~r~n~psi~Gt~tF~QywSVR~~~r~~GtIt~~~Hf~aW~~~ 162 (194)
T 1YNA_A 83 PLVEYYIVENFGTYDPSSGATDLGTVECDGSIYRLGKTTRVNAPSIDGTQTFDQYWSVRQDKRTSGTVQTGCHFDAWARA 162 (194)
T ss_dssp TTEEEEEEEEESSSCTTTTCEEEEEEEETTEEEEEEEEEEEEEEETTEEEEEEEEEEEESSCCSSEEEEHHHHHHHHHHT
T ss_pred CeeeEEEEeeccccCCCCCceEeeEEEECCcEEEEEEeeecCCCcccCCceeEEEEEecCCCCCccEEEhHHHHHHHHHc
Confidence 99999999999999999888899999999999999999999999999999999999999999999999999999999999
Q 6KWC_1 164 GLTL-GTMDYQIVAVQGYFSSGSASITVS 191 (191)
Q Consensus 164 Gl~l-G~~~~~~~~vEgy~ssG~a~vtvs 191 (191)
||+| ++++||+|+||||.|+|+|+|||+
T Consensus 163 G~~lgg~~~~qi~a~Eg~~ssG~a~vtv~ 191 (194)
T 1YNA_A 163 GLNVNGDHYYQIVATEGYFSSGYARITVA 191 (194)
T ss_dssp TCCCCSEEEEEEEEEEEESCEEEEEEEEE
T ss_pred CCCCCCCcceEEEEEEcccceeEEEEEEe
Confidence 9999 579999999999999999999985
No 10
>3MF9_A Endo-1,4-beta-xylanase (E.C.3.2.1.8); peptide binding, jelly-role, family 11; HET: SO4; 1.7A {Thermopolyspora flexuosa}
Probab=100.00 E-value=7.5e-65 Score=420.86 Aligned_cols=185 Identities=52% Similarity=1.031 Sum_probs=177.5 Template_Neff=5.700
Q 6KWC_1 4 IQPGTGYNNGYFYSYWNDGHGGVTYTNGPGGQFSVNWSNSGEFVGGKGWQPGTKNKVINFSGSYNPNGNSYLSVYGWSRN 83 (191)
Q Consensus 4 ~~~~~G~~~Gy~y~~W~d~~g~~~~~~~~~g~f~~~W~~~~~~~~gkG~~~g~~~~~~~y~~~~~~~g~sy~gvYGWt~n 83 (191)
++++.|.+++|+|++|.|+.+.++|++.++|+|+|+|++.+||++||||+++. +|+|+|+++|+|+|++||+||||+++
T Consensus 7 ~~~~~g~~~gy~y~~w~d~~g~~~~t~~~~G~fs~~W~~~~~f~~GkGw~~g~-~r~i~y~~~~~~~g~syl~vYGWt~n 85 (193)
T 3MF9_A 7 TQNQTGYDNGYFYSFRTDAPGTVSMTLHSGGSYSTSWRNTGLFVAGKGWSTGG-RRTVTYNASFNPSGNARLTLYGWTRN 85 (193)
T ss_dssp CSCEEEEETTEEEEEEESSTTSEEEEECSTTEEEEEESSCCEEEEEEEESSCC-SCEEEEEEEEEEEEEEEEEEEEEEET
T ss_pred cccccccccceEeEEEecCCCeeEEEccCCceEEEEEEcCCcEEEeeccCCCC-ceEEEEEEEeCCCCceEEEEEeccCC
Confidence 45677899999999999977778999999999999999999999999999998 58999999999999999999999999
Q 6KWC_1 84 PLIEYYIVENFGTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRNHRSSGSVNTANHFNAWAQQ 163 (191)
Q Consensus 84 PlvEYYIvE~wg~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR~~~r~~GtI~~~~HF~aW~~~ 163 (191)
|||||||||+|+.++|+ .+.+|++++||++||||++.|+++|||+|+.+|+||||||+++|.+|+|++++||+||+++
T Consensus 86 PlvEYYIve~~g~~~P~--~~~~Gt~tsDG~tYdvy~~~r~n~psI~Gt~tF~Qy~SVR~~~r~~GtIt~~~Hf~aW~~~ 163 (193)
T 3MF9_A 86 PLVSYHIVESWGTYRPT--GTYKGTVTTDGGTYDIYETWRYNAPSIEGTRTYQQFWSVRQQKRTSGTITIGNHFDAWARA 163 (193)
T ss_dssp TTEEEEEEEEESSCCCC--CEEEEEEEETTEEEEEEEEEEEEECCTTSSEEEEEEEEEESSCCSEEEEEHHHHHHHHHHT
T ss_pred CeeeEEEEEeccccCCC--CceeEEEEEcCCEEEEEEeeeCCCCCccCCceeEEEEEecccccCccEEEehHHHHHHHHh
Confidence 99999999999999997 4689999999999999999999999999999999999999999999999999999999999
Q 6KWC_1 164 GLTLGTMDYQIVAVQGYFSSGSASITVS 191 (191)
Q Consensus 164 Gl~lG~~~~~~~~vEgy~ssG~a~vtvs 191 (191)
||+||+++||||+||||.|+|+|+|||+
T Consensus 164 Gl~lG~~~yqi~a~Eg~~ssG~a~vtv~ 191 (193)
T 3MF9_A 164 GMNLGSHDYQIMATEGYQSSGSSTVSIS 191 (193)
T ss_dssp TCCCCEEEEEEEEEEEEEEEEEEEEEEE
T ss_pred CcCCCCcceEEEEEEcccccceEEEEEe
Confidence 9999999999999999999999999986
No 11
>3MF6_A Endo-1,4-beta-xylanase (E.C.3.2.1.8); peptide binding, jelly-role, designed, computational; HET: SO4; 1.28A {Thermopolyspora flexuosa}
Probab=100.00 E-value=8.9e-65 Score=420.41 Aligned_cols=185 Identities=51% Similarity=1.029 Sum_probs=177.3 Template_Neff=5.700
Q 6KWC_1 4 IQPGTGYNNGYFYSYWNDGHGGVTYTNGPGGQFSVNWSNSGEFVGGKGWQPGTKNKVINFSGSYNPNGNSYLSVYGWSRN 83 (191)
Q Consensus 4 ~~~~~G~~~Gy~y~~W~d~~g~~~~~~~~~g~f~~~W~~~~~~~~gkG~~~g~~~~~~~y~~~~~~~g~sy~gvYGWt~n 83 (191)
++++.|.+++|+|++|.|+.+.++|++.++|+|+|+|++.+||++||||+++. .|+|+|+++|+|+|++||+||||+++
T Consensus 7 ~~~~~g~~~gy~y~~w~d~~g~~~~t~~~~G~fs~~W~~~~~fv~GkGw~~g~-~r~i~Y~~~~~~~g~syl~vYGWt~n 85 (193)
T 3MF6_A 7 TQNQTGYDNGYFYSFRTDAPGTVSMTLHSGGSYSTSWRNTGLFLAGKGWSTGG-RRTVTYNASFNPSGNARLTLYGWTRN 85 (193)
T ss_dssp CSCEEEEETTEEEEEEESSTTSEEEEECSTTEEEEEESSCCEEEEEEEESSCC-SCEEEEEEEEEEEEEEEEEEEEEEET
T ss_pred cccccccccceEeEEEecCCCeeEEEcCCCCeEEEEEEcCCcEEEeeeeCCCC-ceEEEEEEEECCCCceEEEEEeccCC
Confidence 45677899999999999977778999999999999999999999999999998 58999999999999999999999999
Q 6KWC_1 84 PLIEYYIVENFGTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRNHRSSGSVNTANHFNAWAQQ 163 (191)
Q Consensus 84 PlvEYYIvE~wg~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR~~~r~~GtI~~~~HF~aW~~~ 163 (191)
|||||||||+|+.++|+ .+.+|++++||++||||++.|.|+|||+|+.+|+||||||+++|.+|+|++++||+||+++
T Consensus 86 PliEYYIve~~g~~~P~--~~~~Gt~tsDG~tY~vy~~~r~n~psI~Gt~tF~Qy~SVR~~~r~~GtIt~~~Hf~aW~~~ 163 (193)
T 3MF6_A 86 PLVSYHIVESWGTYRPT--GTYKGTVTTDGGTYDIYETWRYNAPSIEGTRTYQQFWSVRQQKRTSGTITIGNHFDAWARA 163 (193)
T ss_dssp TTEEEEEEEEESSCCCC--CEEEEEEEETTEEEEEEEEEEEEECCTTSSEEEEEEEEEESSCCSEEEEEHHHHHHHHHHT
T ss_pred CeeeEEEEEeccccCCC--CceeEEEEEcCCEEEEEEeeeCCCCCccCCceeEEEEEecccccCccEEEehHHHHHHHHh
Confidence 99999999999999997 3579999999999999999999999999999999999999999999999999999999999
Q 6KWC_1 164 GLTLGTMDYQIVAVQGYFSSGSASITVS 191 (191)
Q Consensus 164 Gl~lG~~~~~~~~vEgy~ssG~a~vtvs 191 (191)
||+||+++||||+||||.|+|+|+|||+
T Consensus 164 Gl~lG~~~yqi~a~Eg~~ssG~a~vtv~ 191 (193)
T 3MF6_A 164 GMNLGSHDYQIMATEGYQSSGSSTVSIS 191 (193)
T ss_dssp TCCCCEEEEEEEEEEEEEEEEEEEEEEE
T ss_pred CcCCCCcceEEEEEEcccccceEEEEEe
Confidence 9999999999999999999999999985
No 12
>2VGD_A ENXYN11A (E.C.3.2.1.8); GLYCOSIDE HYDROLASE, XYLANASE, BETA JELLY; HET: GOL, XYP, FX3; 1.8A {ESCHERICHIA COLI}
Probab=100.00 E-value=6.6e-64 Score=422.03 Aligned_cols=187 Identities=56% Similarity=1.105 Sum_probs=178.6 Template_Neff=5.700
Q 6KWC_1 4 IQPGTGYNNGYFYSYWNDGHGGVTYTNGPGGQFSVNWSNSGEFVGGKGWQPGTKNKVINFSGSYNPNGNSYLSVYGWSRN 83 (191)
Q Consensus 4 ~~~~~G~~~Gy~y~~W~d~~g~~~~~~~~~g~f~~~W~~~~~~~~gkG~~~g~~~~~~~y~~~~~~~g~sy~gvYGWt~n 83 (191)
+++..+.+++|+|++|+|+.+.++|++.++|+|+|+|++.+||++||||+++. .|.|+|+++|+|+|++||+||||+++
T Consensus 28 ~~~~~g~~~gy~y~~W~d~~g~~~~~~~~~G~fs~~W~~~~nfv~gkGw~~G~-~~~i~Ys~~~~~~g~sYl~vYGWt~n 106 (218)
T 2VGD_A 28 TSSQTGTNNGFYYSFWKDSPGTVNFCLQSGGRYTSNWSGINNWVGGKGWQTGS-RRNITYSGSFNSPGNGYLALYGWTTN 106 (218)
T ss_dssp CSCEEEEETTEEEEEEECSSSEEEEEECSTTEEEEEEESCSEEEEEEEESSCC-SCEEEEEEEEECSSSEEEEEEEEEET
T ss_pred ccCccceecceeeeeEecCCCeeeEECCCCcceEEEEecCCCEEEeccccCCC-CceEEEEEEecCCCceEEEEEeccCC
Confidence 45677889999999999987788999999999999999999999999999998 58999999999999999999999999
Q 6KWC_1 84 PLIEYYIVENFGTYNPST-GATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRNHRSSGSVNTANHFNAWAQ 162 (191)
Q Consensus 84 PlvEYYIvE~wg~~~P~~-~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR~~~r~~GtI~~~~HF~aW~~ 162 (191)
|||||||||+|+.|+|+. +++++|++++||++||||++.|.++|||+|+.+|+||||||+++|.+|+|++++||+||++
T Consensus 107 PlvEYYIve~~g~~~P~~~~~~~~Gt~tsDG~tY~vy~~~r~n~PsI~Gt~tF~QywSVR~~~r~~GtIt~~~Hf~aW~~ 186 (218)
T 2VGD_A 107 PLVEYYVVDSWGSWRPPGSDGTFLGTVNSDGGTYDIYRAQRVNAPSIIGNATFYQYWSVRQSKRVGGTITTGNHFDAWAS 186 (218)
T ss_dssp TTEEEEEEEEESSSCTTGGGSEEEEEEEETTEEEEEEEEEEEEECCTTSSEEEEEEEEEESSCCCSEEEEHHHHHHHHHH
T ss_pred CceeEEEEEecccCCCCCCCceEEEEEEECCcEEEEEEeeecCCCcccCCceeEEEEEecCCcCCceeEEhhHHHHHHHH
Confidence 999999999999999964 5688999999999999999999999999999999999999999999999999999999999
Q 6KWC_1 163 QGLTLGTMDYQIVAVQGYFSSGSASITVS 191 (191)
Q Consensus 163 ~Gl~lG~~~~~~~~vEgy~ssG~a~vtvs 191 (191)
+||+||+++||||+||||.|+|+|+|||+
T Consensus 187 ~Gl~lG~~~~qi~a~Eg~~ssG~a~vtv~ 215 (218)
T 2VGD_A 187 VGLNLGTHNYQIMATEGYQSSGSSDITVS 215 (218)
T ss_dssp TTCCCCEEEEEEEEEEEESCCEEEEEEEE
T ss_pred cCCCCCCCceEEEEEeccccceeEEEEEe
Confidence 99999999999999999999999999985
No 13
>2VUJ_A GH11 XYLANASE (E.C.3.2.1.8); GH11, XYLANASE, HYDROLASE, GLYCOSIDASE; 1.8A {ESCHERICHIA COLI}
Probab=100.00 E-value=7.2e-64 Score=421.94 Aligned_cols=187 Identities=56% Similarity=1.110 Sum_probs=178.8 Template_Neff=5.600
Q 6KWC_1 4 IQPGTGYNNGYFYSYWNDGHGGVTYTNGPGGQFSVNWSNSGEFVGGKGWQPGTKNKVINFSGSYNPNGNSYLSVYGWSRN 83 (191)
Q Consensus 4 ~~~~~G~~~Gy~y~~W~d~~g~~~~~~~~~g~f~~~W~~~~~~~~gkG~~~g~~~~~~~y~~~~~~~g~sy~gvYGWt~n 83 (191)
+++..+.+++|+|++|+|+.+.++|++.++|+|+|+|++.+||++||||+++. .++|+|+++|+++|++||+||||+++
T Consensus 28 ~~~~~g~~~gy~y~~W~d~~g~~~~~~~~~G~fs~~W~~~~nfv~gkGw~~G~-~~~i~Y~g~~~~~g~sYl~vYGWt~n 106 (219)
T 2VUJ_A 28 TSSQTGTNNGFYYSFWKDSPGTVNFCLQSGGRYTSNWSGINNWVGGKGWQTGS-RRNITYSGSFNSPGNGYLALYGWTTN 106 (219)
T ss_dssp CSCEEEEETTEEEEEEECSSSEEEEEECSTTEEEEEEESCSEEEEEEEESSCC-SCEEEEEEEEECSSSEEEEEEEEEET
T ss_pred cCCceeeecceeeeeeecCCCeeeEEcCCCcceEEEEeccCcEEEEecccCCC-cceEEEEEEecCCCceEEEEeeccCC
Confidence 45677899999999999987788999999999999999999999999999998 58999999999999999999999999
Q 6KWC_1 84 PLIEYYIVENFGTYNPS-TGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRNHRSSGSVNTANHFNAWAQ 162 (191)
Q Consensus 84 PlvEYYIvE~wg~~~P~-~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR~~~r~~GtI~~~~HF~aW~~ 162 (191)
|||||||||+|+.++|+ .+++++|++++||++||||++.|.++|||+|+.+|+||||||+++|.+|+|++++||+||++
T Consensus 107 PlvEYYIve~~g~~~P~~~~~~~~Gt~tsDG~tYdiy~~~r~n~PsI~Gt~tF~QywSVR~~~r~~GtIt~~~Hf~aW~~ 186 (219)
T 2VUJ_A 107 PLVEYYVVDSWGSWRPPGSDGTFLGTVNSDGGTYDIYRAQRVNAPSIIGNATFYQYWSVRQSKRVGGTITTGNHFDAWAS 186 (219)
T ss_dssp TTEEEEEEEEESSSCSSCTTCEEEEEEEETTEEEEEEEEEEEEEEETTEEEEEEEEEEEESSCCCSEEEEHHHHHHHHHH
T ss_pred CceeEEEEeccCccCCCCCCceEeEEEEECCCEEEEEEeeeCCCCccccCceeEEEEEeccCccCcceEechHHHHHHHH
Confidence 99999999999999996 35689999999999999999999999999999999999999999999999999999999999
Q 6KWC_1 163 QGLTLGTMDYQIVAVQGYFSSGSASITVS 191 (191)
Q Consensus 163 ~Gl~lG~~~~~~~~vEgy~ssG~a~vtvs 191 (191)
+||+||+++||||++|||.|+|+|+|||+
T Consensus 187 ~G~~lG~~~~qi~a~Eg~~ssG~a~vtv~ 215 (219)
T 2VUJ_A 187 VGLNLGTHNYQIMATEGYQSSGSSDITVS 215 (219)
T ss_dssp TTCCCCEEEEEEEEEEEESSCEEEEEEEE
T ss_pred cCCCcCCCceEEEEEeccccceeEEEEEe
Confidence 99999999999999999999999999985
No 14
>1F5J_B BETA-1,4-XYLANASE (E.C.3.2.1.8); Xylanase, beta-barrel, HYDROLASE; HET: SO4; 1.8A {Dictyoglomus thermophilum} SCOP: b.29.1.11
Probab=100.00 E-value=5e-63 Score=411.77 Aligned_cols=186 Identities=54% Similarity=0.980 Sum_probs=173.8 Template_Neff=5.800
Q 6KWC_1 4 IQPGTGYNNGYFYSYWNDGHGGVTYTNGPGGQFSVNWSNS--GEFVGGKGWQPGT---KNKVINFSGSYNPNGNSYLSVY 78 (191)
Q Consensus 4 ~~~~~G~~~Gy~y~~W~d~~g~~~~~~~~~g~f~~~W~~~--~~~~~gkG~~~g~---~~~~~~y~~~~~~~g~sy~gvY 78 (191)
+++..|.+++|+|++|.|+ +.++|++.++|.|+|+|++. .+|++||||+++. .+|+|+|+++|+|+|++||+||
T Consensus 3 ~~~~~g~~~gy~y~~W~d~-g~~~~t~~~~G~fs~~W~~~~~~~f~~Gkgw~~g~~~~~~~~i~y~~~~~~~G~~yl~vY 81 (199)
T 1F5J_B 3 TSNASGTFDGYYYELWKDT-GNTTMTVYTQGRFSCQWSNINNALFRTGKKYNQNWQSLGTIRITYSATYNPNGNSYLCIY 81 (199)
T ss_dssp CSSEEEEETTEEEEEEESS-SEEEEEECGGGCEEEEEESCSEEEEEEEEEEEEEGGGSCEEEEEEEEEEEESSSEEEEEE
T ss_pred cccccccccceeeeeEecC-CCeEEEccCCCceEEEEECCCceEEEeccccCCCCcccccEEEEEEEEEcCCCCeEEEEE
Confidence 4567788999999999997 46788888899999999986 5677899999764 2589999999999999999999
Q 6KWC_1 79 GWSRNPLIEYYIVENFGTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRNHRSSGSVNTANHFN 158 (191)
Q Consensus 79 GWt~nPlvEYYIvE~wg~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR~~~r~~GtI~~~~HF~ 158 (191)
||+++|||||||||+|+.++|+ +.+++|++++||++||||++.|.++|||+|+.+|+||||||+++|.+|||++++||+
T Consensus 82 GWt~nPlvEYYIve~~g~~~p~-~~~~~Gt~t~DG~tY~iy~~~r~n~PSI~Gt~tF~QywSVR~~~r~~GtIt~~~Hf~ 160 (199)
T 1F5J_B 82 GWSTNPLVEFYIVESWGNWRPP-GATSLGQVTIDGGTYDIYRTTRVNQPSIVGTATFDQYWSVRTSKRTSGTVTVTDHFR 160 (199)
T ss_dssp EEEETTTEEEEEEEEESSSCSC-CSCEEEEEEETTEEEEEEEEEEEEECCTTSSEEEEEEEEEESSCCSEEEEEHHHHHH
T ss_pred eccCCcceeEEEEeeccccCCC-CcceeeEEEECCcEEEEEEeeecCCCcccCCceeEEEEEecCCCCCeeEEEhHHHHH
Confidence 9999999999999999999998 457899999999999999999999999999999999999999999999999999999
Q 6KWC_1 159 AWAQQGLTLGTMDYQIVAVQGYFSSGSASITVS 191 (191)
Q Consensus 159 aW~~~Gl~lG~~~~~~~~vEgy~ssG~a~vtvs 191 (191)
||+++||+||++++|+|+||||+|||+|+|||+
T Consensus 161 aW~~~G~~lG~~~~~~~~~Eg~~sSG~a~vt~~ 193 (199)
T 1F5J_B 161 AWANRGLNLGTIDQITLCVEGYQSSGSANITQN 193 (199)
T ss_dssp HHHHTTCCCCEEEEEEEEEEEESSCEEEEEEEE
T ss_pred HHHHcCccCCCccEEEEEEeccccceeEEEEEE
Confidence 999999999999999999999999999999985
No 15
>1H4G_A XYLANASE (E.C.3.2.1.8); GLYCOSIDE HYDROLASE, XYLANASE, OLIGOSACCHARIDE, TRANSITION-STATE; HET: FXP, PCA, SO4; 1.1A {BACILLUS AGARADHAERENS} SCOP: b.29.1.11
Probab=100.00 E-value=7.6e-63 Score=412.84 Aligned_cols=188 Identities=46% Similarity=0.902 Sum_probs=176.3 Template_Neff=5.800
Q 6KWC_1 3 TIQPGTGYNNGYFYSYWNDGHGGVTYTNGPGGQFSVNWSNSGEFVGGKG--WQPGTK-----NKVINFSGSYNPNGNSYL 75 (191)
Q Consensus 3 ~~~~~~G~~~Gy~y~~W~d~~g~~~~~~~~~g~f~~~W~~~~~~~~gkG--~~~g~~-----~~~~~y~~~~~~~g~sy~ 75 (191)
.++++.|.+++|+|++|.|+.+.++|++.++|+|+|+|++.+||++||| |.++.+ ++.|+|+++|.|+|++||
T Consensus 3 ~~~~~~g~~~gy~y~~W~d~~~~~~~t~~~gG~fs~~W~~~~nfv~gkG~~~~~g~~~~~~g~~~i~Y~~~~~~~G~syl 82 (207)
T 1H4G_A 3 VTDNSIGNHDGYDYEFWKDSGGSGTMILNHGGTFSAQWNNVNNILFRKGKKFNETQTHQQVGNMSINYGANFQPNGNAYL 82 (207)
T ss_dssp ECSSEEEEETTEEEEEEECSSSEEEEEECSTTCEEEEEESCSEEEEEEEEECCSCCCHHHHCCEEEEEEEEEEEEEEEEE
T ss_pred cccCccccccCccceeEecCCCeeeEEcCCCcceEEEEECCCCeEEEccccCCCCCceeeecCeEEEEEEEeCCCCceEE
Confidence 4567888999999999999876788998899999999999999999999 666542 488999999999999999
Q 6KWC_1 76 SVYGWSRNPLIEYYIVENFGTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRNHRSSGSVNTAN 155 (191)
Q Consensus 76 gvYGWt~nPlvEYYIvE~wg~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR~~~r~~GtI~~~~ 155 (191)
+||||+++|||||||||+|+.++|+ +++++|++++||++||||++.|.++|||+|+.+|+||||||+++|.+|+|++++
T Consensus 83 ~vYGWt~nPliEYYIve~~g~~~p~-~~~~~Gt~tsDG~tY~iy~~~r~n~PSI~Gt~tF~QywSVR~~~r~~GtIt~~~ 161 (207)
T 1H4G_A 83 CVYGWTVDPLVEYYIVDSWGNWRPP-GATPKGTITVDGGTYDIYETLRVNQPSIKGIATFKQYWSVRRSKRTSGTISVSN 161 (207)
T ss_dssp EEEEEEETTTEEEEEEEEESSSCSC-CSCCCEEEEETTEEEEEEEEEEEEECCTTSSEEEEEEEEEESSCCSEEEECHHH
T ss_pred EEeeccCCCceeEEEEEeccccCCC-CCeeeeEEEECCcEEEEEEeeecCCCCccccceeEEEEEEccCCCCccEEEhHH
Confidence 9999999999999999999999998 567899999999999999999999999999999999999999999999999999
Q 6KWC_1 156 HFNAWAQQGLTLGTMDYQIVAVQGYFSSGSASITVS 191 (191)
Q Consensus 156 HF~aW~~~Gl~lG~~~~~~~~vEgy~ssG~a~vtvs 191 (191)
||+||+++||+||++++|+|+||||.|||+|+||+.
T Consensus 162 Hf~aW~~~G~~lG~~~~~~~~~Eg~~ssG~a~vt~~ 197 (207)
T 1H4G_A 162 HFRAWENLGMNMGKMYEVALTVEGYQSSGSANVYSN 197 (207)
T ss_dssp HHHHHHHTTCCCCEEEEEEEEEEEEEEEEEEEEEEE
T ss_pred HHHHHHHhCcccCCceEEEeeeeccccccEEEEEEe
Confidence 999999999999999999999999999999999973
No 16
>1QH7_A XYLANASE (E.C.3.2.1.8); GLYCOSYL HYDROLASE, HYDROLASE; HET: XYP, PCA; 1.78A {Bacillus agaradhaerens} SCOP: b.29.1.11
Probab=100.00 E-value=7.6e-63 Score=412.84 Aligned_cols=188 Identities=46% Similarity=0.902 Sum_probs=176.3 Template_Neff=5.800
Q 6KWC_1 3 TIQPGTGYNNGYFYSYWNDGHGGVTYTNGPGGQFSVNWSNSGEFVGGKG--WQPGTK-----NKVINFSGSYNPNGNSYL 75 (191)
Q Consensus 3 ~~~~~~G~~~Gy~y~~W~d~~g~~~~~~~~~g~f~~~W~~~~~~~~gkG--~~~g~~-----~~~~~y~~~~~~~g~sy~ 75 (191)
.++++.|.+++|+|++|.|+.+.++|++.++|+|+|+|++.+||++||| |.++.+ ++.|+|+++|.|+|++||
T Consensus 3 ~~~~~~g~~~gy~y~~W~d~~~~~~~t~~~gG~fs~~W~~~~nfv~gkG~~~~~g~~~~~~g~~~i~Y~~~~~~~G~syl 82 (207)
T 1QH7_A 3 VTDNSIGNHDGYDYEFWKDSGGSGTMILNHGGTFSAQWNNVNNILFRKGKKFNETQTHQQVGNMSINYGANFQPNGNAYL 82 (207)
T ss_dssp ECSCEEEEETTEEEEEEECSSSEEEEEECSTTCEEEEEESCSEEEEEEEEECCSCCCHHHHCCEEEEEEEEEEEEEEEEE
T ss_pred cccCccccccCccceeEecCCCeeeEEcCCCcceEEEEECCCCeEEEccccCCCCCceeeecCeEEEEEEEeCCCCceEE
Confidence 4567888999999999999876788998899999999999999999999 666542 488999999999999999
Q 6KWC_1 76 SVYGWSRNPLIEYYIVENFGTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRNHRSSGSVNTAN 155 (191)
Q Consensus 76 gvYGWt~nPlvEYYIvE~wg~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR~~~r~~GtI~~~~ 155 (191)
+||||+++|||||||||+|+.++|+ +++++|++++||++||||++.|.++|||+|+.+|+||||||+++|.+|+|++++
T Consensus 83 ~vYGWt~nPliEYYIve~~g~~~p~-~~~~~Gt~tsDG~tY~iy~~~r~n~PSI~Gt~tF~QywSVR~~~r~~GtIt~~~ 161 (207)
T 1QH7_A 83 CVYGWTVDPLVEYYIVDSWGNWRPP-GATPKGTITVDGGTYDIYETLRVNQPSIKGIATFKQYWSVRRSKRTSGTISVSN 161 (207)
T ss_dssp EEEEEEETTTEEEEEEEEESSSCSC-CSCCCEEEEETTEEEEEEEEEEEEECCTTSSEEEEEEEEEESSCCSEEEEEHHH
T ss_pred EEeeccCCCceeEEEEEeccccCCC-CCeeeeEEEECCcEEEEEEeeecCCCCccccceeEEEEEEccCCCCccEEEhHH
Confidence 9999999999999999999999998 567899999999999999999999999999999999999999999999999999
Q 6KWC_1 156 HFNAWAQQGLTLGTMDYQIVAVQGYFSSGSASITVS 191 (191)
Q Consensus 156 HF~aW~~~Gl~lG~~~~~~~~vEgy~ssG~a~vtvs 191 (191)
||+||+++||+||++++|+|+||||.|||+|+||+.
T Consensus 162 Hf~aW~~~G~~lG~~~~~~~~~Eg~~ssG~a~vt~~ 197 (207)
T 1QH7_A 162 HFRAWENLGMNMGKMYEVALTVEGYQSSGSANVYSN 197 (207)
T ss_dssp HHHHHHHTTCCCCEEEEEEEEEEEEEEEEEEEEEEE
T ss_pred HHHHHHHhCcccCCceEEEeeeeccccccEEEEEEe
Confidence 999999999999999999999999999999999973
No 17
>2F6B_A Family 11 Xylanase; Alkaline xylanase, Active site residues; 2.8A {Bacillus}
Probab=100.00 E-value=9.9e-63 Score=411.95 Aligned_cols=188 Identities=47% Similarity=0.910 Sum_probs=176.7 Template_Neff=5.900
Q 6KWC_1 3 TIQPGTGYNNGYFYSYWNDGHGGVTYTNGPGGQFSVNWSNSGEFVGGKG--WQPGTK-----NKVINFSGSYNPNGNSYL 75 (191)
Q Consensus 3 ~~~~~~G~~~Gy~y~~W~d~~g~~~~~~~~~g~f~~~W~~~~~~~~gkG--~~~g~~-----~~~~~y~~~~~~~g~sy~ 75 (191)
.++++.|.+++|+|++|.|+.+.++|++.++|.|+|+|++.+||+++|| |.++.+ +|.|+|+++|+++|++||
T Consensus 3 ~~~~~~g~~~gy~y~~W~dg~~~~~~t~~~~G~fs~~W~~~gnfv~gkG~~~~~g~~~~~~~~~~i~ys~~~~~~G~syl 82 (206)
T 2F6B_A 3 VTDNSTGNHDGYDYEFWKDSGGSGTMILNSGGTFSASWNNVNNILFRKGKKFNETQTHQQVGNMSINYGANFQPNGNAYL 82 (206)
T ss_dssp ECSSEEEEETTEEEEEEECSSSEEEEEECSTTCEEEEEEEEEEEEEEEEEECCSCCCHHHHCCEEEEEEEEEEEEEEEEE
T ss_pred cccCccccccCccceeEecCCCeeeEEcCCCCceEEEEEcCCCeEEEccccCCCCCceeeecCeEEEEEEEeCCCCceEE
Confidence 4567788999999999999876788999899999999999999999999 666542 588999999999999999
Q 6KWC_1 76 SVYGWSRNPLIEYYIVENFGTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRNHRSSGSVNTAN 155 (191)
Q Consensus 76 gvYGWt~nPlvEYYIvE~wg~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR~~~r~~GtI~~~~ 155 (191)
+||||+++|||||||||+|+.++|+ +++++|++++||++||||++.|+++|||+|+.+|+||||||+++|.+|+|++++
T Consensus 83 ~vYGWt~nPlvEYYIve~~g~~~p~-~~~~~Gt~tsDG~tY~iy~~~r~n~PSI~Gt~tF~QywSVR~~~r~~GtIt~~~ 161 (206)
T 2F6B_A 83 CVYGWTVDPLVEYYIVDSWGNWRPP-GATPKGTITVDGGTYDIYETLRVNQPSIKGIATFKQYWSVRRSKRTSGTISVSN 161 (206)
T ss_dssp EEEEEEETTTEEEEEEEEESSSCTT-CSCCCEEEEETTEEEEEEEEEEEEECCTTSSEEEEEEEEEESSCCSEEEECHHH
T ss_pred EEeeccCCCceeEEEEEeccccCCC-CCeeeeEEEECCcEEEEEEeeecCCCCccccceeEEEEEEccCCCCccEEEhHH
Confidence 9999999999999999999999998 567899999999999999999999999999999999999999999999999999
Q 6KWC_1 156 HFNAWAQQGLTLGTMDYQIVAVQGYFSSGSASITVS 191 (191)
Q Consensus 156 HF~aW~~~Gl~lG~~~~~~~~vEgy~ssG~a~vtvs 191 (191)
||+||+++||+||++++|+|+||||.|||+|+||+.
T Consensus 162 Hf~aW~~~G~~lG~~~~~~~~~Eg~~ssG~a~vt~~ 197 (206)
T 2F6B_A 162 HFRAWENLGMNMGKMYEVALTVEGYQSSGSANVYSN 197 (206)
T ss_dssp HHHHHHHTTCCCCEEEEEEEEEEEEEEEEEEEEEEE
T ss_pred HHHHHHHcCCCCCCceeEEeeeeccccccEEEEEEe
Confidence 999999999999999999999999999999999974
No 18
>4IXL_A xylanase (E.C.3.2.1.8); b-sandwich, Hydrolase; 1.49A {Bacillus sp}
Probab=100.00 E-value=1.1e-62 Score=420.11 Aligned_cols=187 Identities=43% Similarity=0.850 Sum_probs=177.1 Template_Neff=5.300
Q 6KWC_1 4 IQPGTGYNNGYFYSYWNDGHGGVTYTNGPGGQFSVNWSNSGEFVGGKGWQPGTK-------NKVINFSGSYNPNGNSYLS 76 (191)
Q Consensus 4 ~~~~~G~~~Gy~y~~W~d~~g~~~~~~~~~g~f~~~W~~~~~~~~gkG~~~g~~-------~~~~~y~~~~~~~g~sy~g 76 (191)
++++.+..++|+|++|.|+.+.++|++.++|+|+|+|++.+||++||||.++.. ++.|+|+++|+|+|++||+
T Consensus 37 t~~~~g~~~gy~y~~W~dgg~~~~~t~~~gG~fsv~W~~~gnfv~gkGw~~g~~~~~~~~~~~~i~Ysg~~~~~GnsYl~ 116 (244)
T 4IXL_A 37 TGNEIGTHDGYDYEFWKDEGGYGSMTLNSGGTFSAEWTDVHNILFRKGQKFDTTQTHQQLGNINIDYGVNYQPNGSSYLA 116 (244)
T ss_dssp CSCEEEEETTEEEEEEECSSSEEEEEECSTTCEEEEEEEEEEEEEEEEEECCSCCCHHHHCCEEEEEEEEEEEEEEEEEE
T ss_pred ecCcceeecceeeeeeecCCceeeEEcCCCCceEEEEecCCcEEEEeeecCCCCcceeeccceEEEEEEEecCCCceEEE
Confidence 456778899999999999877789999899999999999999999999998763 4689999999999999999
Q 6KWC_1 77 VYGWSRNPLIEYYIVENFGTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRNHRSSGSVNTANH 156 (191)
Q Consensus 77 vYGWt~nPlvEYYIvE~wg~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR~~~r~~GtI~~~~H 156 (191)
||||+++|||||||||+|+.++|+ +++.+|++++||++||||++.|+++|||+|+.+|+||||||+++|.+|+|++++|
T Consensus 117 vYGWt~nPLvEYYIVE~~g~~~P~-g~~~~GtvtsDG~tYdIy~~~R~nqPSI~Gt~TF~QywSVR~~kR~~GtItv~~H 195 (244)
T 4IXL_A 117 VYGWTTDPLVEFYIVDSWGTWRPP-GAESKGTIHVDGGTYEIYETTRVQQPSIEGTATFQQYWSVRTDKRTSGTISVSEH 195 (244)
T ss_dssp EEEEEETTTEEEEEEEEESSCCSC-CSCCCEEEEETTEEEEEEEEEEEEECCTTSSEEEEEEEEEESSCCCEEEEEHHHH
T ss_pred EeecCCCCceeEEEEeeCcccCCC-CcceeeEEEEcCcEEEEEEEeecCCCceeCCceeEEEEEeccCCCCccEEEhhHH
Confidence 999999999999999999999998 4678999999999999999999999999999999999999999999999999999
Q 6KWC_1 157 FNAWAQQGLTLGTMDYQIVAVQGYFSSGSASITVS 191 (191)
Q Consensus 157 F~aW~~~Gl~lG~~~~~~~~vEgy~ssG~a~vtvs 191 (191)
|+||+++||+||++++|+|+||||.|||+|+||+.
T Consensus 196 f~aW~~~Gm~lG~~~~~~~a~Eg~~sSGsa~vt~~ 230 (244)
T 4IXL_A 196 FHAWEAHGMPMGNMYEVALTVEGWQSSGSADVYRN 230 (244)
T ss_dssp HHHHHHTTCCCCEEEEEEEEEEEEEEEEEEEEEEE
T ss_pred HHHHHHcCCCCCCceeeEeEeeccccceEEEEEEE
Confidence 99999999999999999999999999999999973
No 19
>5EJ3_B Endo-1,4-beta-xylanase B (E.C.3.2.1.8); xylanase B2, xylan, beta-jelly roll; 1.314A {Streptomyces lividans}
Probab=100.00 E-value=1.2e-62 Score=417.77 Aligned_cols=185 Identities=55% Similarity=1.111 Sum_probs=176.6 Template_Neff=5.300
Q 6KWC_1 4 IQPGTGYNNGYFYSYWNDGHGGVTYTNGPGGQFSVNWSNSGEFVGGKGWQPGTKNKVINFSGSYNPNGNSYLSVYGWSRN 83 (191)
Q Consensus 4 ~~~~~G~~~Gy~y~~W~d~~g~~~~~~~~~g~f~~~W~~~~~~~~gkG~~~g~~~~~~~y~~~~~~~g~sy~gvYGWt~n 83 (191)
+++..|.+++|+|++|+|+.+.+++++.++|.|+|+|++.+||++||||+++. .++|+|+++|+|+|++||+||||+++
T Consensus 46 t~~~~g~~~gy~y~~W~dg~g~~s~~~~~gG~ys~~W~~~gnfv~GkGw~~g~-~r~i~Ysg~~~~~G~sYl~vYGWt~n 124 (234)
T 5EJ3_B 46 TTNQEGTNNGYYYSFWTDSQGTVSMNMGSGGQYSTSWRNTGNFVAGKGWANGG-RRTVQYSGSFNPSGNAYLALYGWTSN 124 (234)
T ss_dssp CSSEEEEETTEEEEEEESSTTSEEEEECSTTEEEEEESSCSEEEEEEEESSCC-SCEEEEEEEEEEESSEEEEEEEEEBT
T ss_pred eccccccccceeeeeEecCCCeEEEECCCCceeEEEEEcCCCEEEeccccCCC-ceEEEEEEEeCCCCCeEEEEEeccCC
Confidence 45677889999999999987778899989999999999999999999999998 69999999999999999999999999
Q 6KWC_1 84 PLIEYYIVENFGTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRNHRSSGSVNTANHFNAWAQQ 163 (191)
Q Consensus 84 PlvEYYIvE~wg~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR~~~r~~GtI~~~~HF~aW~~~ 163 (191)
|||||||||+|+.++|+ .+.+|++++||++||||++.|+++|||+|+.+|+||||||+++|++|||++++||+||+++
T Consensus 125 PlvEYYIvE~~g~~~P~--~~~~GtvtsDG~tYdiy~~~R~nqPSI~Gt~TF~QywSVR~~~r~~GtIt~~nHf~aW~~~ 202 (234)
T 5EJ3_B 125 PLVEYYIVDNWGTYRPT--GEYKGTVTSDGGTYDIYKTTRVNKPSVEGTRTFDQYWSVRQSKRTGGTITTGNHFDAWARA 202 (234)
T ss_dssp TTEEEEEEEEESSCCCC--CEEEEEEEETTEEEEEEEEEEEEECCTTSSEEEEEEEEEESSCCCSEEEEHHHHHHHHHHT
T ss_pred CeeeEEEEeeccccCCC--CceEEEEEEcCCEEEEEEeeecCCCcccCCcceEEEEEeccCCCCccEEEhhHHHHHHHHc
Confidence 99999999999999997 3579999999999999999999999999999999999999999999999999999999999
Q 6KWC_1 164 GLTLGTM-DYQIVAVQGYFSSGSASITVS 191 (191)
Q Consensus 164 Gl~lG~~-~~~~~~vEgy~ssG~a~vtvs 191 (191)
||+||++ +||+|+||||.|+|+|+|||+
T Consensus 203 Gl~lG~~~~~qi~a~Eg~~ssG~a~itv~ 231 (234)
T 5EJ3_B 203 GMPLGNFSYYMIMATEGYQSSGSSSINVG 231 (234)
T ss_dssp TCCCCBCCSCEEEEEEEESCEEEEEEEEE
T ss_pred CCCCCCccceEEEEEecccccceeEEEEe
Confidence 9999997 799999999999999999986
No 20
>2DCZ_A Endo-1,4-beta-xylanase A (E.C.3.2.1.8); ALL BETA, HYDROLASE; 1.9A {Bacillus subtilis}
Probab=100.00 E-value=1.2e-62 Score=405.32 Aligned_cols=178 Identities=51% Similarity=1.040 Sum_probs=168.7 Template_Neff=5.600
Q 6KWC_1 12 NGYFYSYWNDGHGGVTYTNGPGGQFSVNWSNSGEFVGGKGWQPGTKNKVINFS-GSYNPNGNSYLSVYGWSRNPLIEYYI 90 (191)
Q Consensus 12 ~Gy~y~~W~d~~g~~~~~~~~~g~f~~~W~~~~~~~~gkG~~~g~~~~~~~y~-~~~~~~g~sy~gvYGWt~nPlvEYYI 90 (191)
++|+|++|+|+.+.++|++.++|+|+|+|++.+||++||||+++.+.|+|+|+ ++|+|+|++||+||||+++|||||||
T Consensus 2 ~~~~y~~W~dg~~~~~~~~~~~G~fs~~W~~~~nfv~GkGw~~g~~~r~i~y~~g~~~~~g~syl~vYGWt~nPlvEYYI 81 (185)
T 2DCZ_A 2 STDYWHFWTDGGGIVNAVNGSGGNYSVNWSNTGNFVVGKGWTTGSPFRTINYNAGVWAPNGNGYLTLYGWTRSPLIEYYV 81 (185)
T ss_dssp CCCEEEEEECSSSEEEEEECSTTEEEEEEESCSEEEEEEEESSCCTTCEEEEEEEEEEEEEEEEEEEEEEEETTTEEEEE
T ss_pred CCccceeeecCCceeEEecCCCCceEEEEecCCCEEEecccCCCCCcEEEEEecceecCCCceEEEeeecCCCCceeEEE
Confidence 68999999998777899999999999999999999999999999866999999 79999999999999999999999999
Q 6KWC_1 91 VENFGTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGT-ATFYQYWSVRRNHRSS---GSVNTANHFNAWAQQGLT 166 (191)
Q Consensus 91 vE~wg~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~-~~f~Qy~SVR~~~r~~---GtI~~~~HF~aW~~~Gl~ 166 (191)
||+|+.++|+ .+.+|++++||++||||++.|+++|||+|+ .+|+||||||+++|.+ |||++++||+||+++||+
T Consensus 82 ve~~g~~~P~--~~~~Gt~tsDG~tY~iy~~~R~n~psI~G~~~tF~QywSVR~~~r~~g~~GtI~~~~Hf~aW~~~Gl~ 159 (185)
T 2DCZ_A 82 VDSWGTYRPT--GTYKGTVKSDGGTYDIYTTTRYNAPSIDGDRTTFTQYWSVRQSKRPTGSNATITFSNHVNAWKSHGMN 159 (185)
T ss_dssp EEEESSCCCC--CEEEEEEEETTEEEEEEEEEEEEEEETTEEEEEEEEEEEEESSCCCCSSCEEEEHHHHHHHHHHTTCC
T ss_pred EeeccccCCC--CceeEEEEeCCcEEEEEEeeecCCCcccCCCcceeEEEEeccCCCCCCCCcEEEchHHHHHHHHcCCc
Confidence 9999999998 357999999999999999999999999987 5999999999999975 599999999999999999
Q 6KWC_1 167 LGT-MDYQIVAVQGYFSSGSASITVS 191 (191)
Q Consensus 167 lG~-~~~~~~~vEgy~ssG~a~vtvs 191 (191)
||+ ++||||+||||.|+|+|+|||+
T Consensus 160 lG~~~~~qila~Eg~~ssG~a~itv~ 185 (185)
T 2DCZ_A 160 LGSNWAYQVMATEGYQSSGCSNVTVW 185 (185)
T ss_dssp CCSEEEEEEEEEEEEEEEEEEEEEEC
T ss_pred cCCccceEEEEEEeccccceEEEEeC
Confidence 998 5799999999999999999986
No 21
>5VQJ_A exo-beta-1,4-xylanase; beta-jelly roll, HYDROLASE; 1.761A {unidentified}
Probab=100.00 E-value=1.2e-61 Score=407.37 Aligned_cols=186 Identities=38% Similarity=0.740 Sum_probs=175.6 Template_Neff=5.200
Q 6KWC_1 3 TIQPGTGYNNGYFYSYWNDGHGGVTYTNGPGGQFSVNWSNS-GEFVGGKGWQPGTKNKVINFSGSYNPNGNSYLSVYGWS 81 (191)
Q Consensus 3 ~~~~~~G~~~Gy~y~~W~d~~g~~~~~~~~~g~f~~~W~~~-~~~~~gkG~~~g~~~~~~~y~~~~~~~g~sy~gvYGWt 81 (191)
++++.+|.+++|+|++|.|+ +.++|++.++|.|+|+|++. +||++||||+++.++|+|+|++++ ++|++||+||||+
T Consensus 6 ~~~~~~G~~~gy~y~~W~dg-g~~~~t~~~~G~fs~~W~~~~~nfv~gkGw~~gs~~r~i~Ys~~~-~~GnsYl~vYGWt 83 (217)
T 5VQJ_A 6 TQTHATGHVGDFFFTHWKDG-GSTSLTLDAEGKFLVTWQGGGYNYVGGPGWHFGDKNRVIRYKLNE-ETGASYIALYGWG 83 (217)
T ss_dssp CSSEEEEEETTEEEEEEESS-SSCEEEEETTSEEEEEECCSSCEEEEEEEESSCCTTCEEEEEEEE-ESCCSEEEEEEEE
T ss_pred eecCceeeecCeEeeeeecC-ceeeEEcCCCCcEEEEEecCCCCEEEeCCcccCCCccEEEEEeec-CCCceEEEEEeee
Confidence 46778999999999999997 57889999999999999986 799999999999877999999998 5899999999999
Q 6KWC_1 82 RN---------PLIEYYIVENFGTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRNHRS---SG 149 (191)
Q Consensus 82 ~n---------PlvEYYIvE~wg~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR~~~r~---~G 149 (191)
++ |||||||||+| .++|+.+++++|++++||++|+||+..|+++|||+|+.+|+||||||+.+|. +|
T Consensus 84 ~np~~~~~~~~pLiEYYIVe~~-~~~P~~~~~~~Gt~tsDG~tY~iy~~~R~n~PSI~G~~tF~QYwSVR~~~r~~~~~G 162 (217)
T 5VQJ_A 84 YDKTMSESDPSHLVEYYILQRW-TYDPSQDGIYGKTFVSNGIEYSTYRSIRKVKPSINGPTTFYQYWSKPSAQQELGKDH 162 (217)
T ss_dssp ECTTSCTTSTTSEEEEEEEEEE-SSCTTTTSEEEEEEEETTEEEEEEEEEEEEECCTTSSEEEEEEEEEESSCCCTTSCE
T ss_pred CCccCCCCCCcceEEEEEEEec-eecCCCCceeCeEEEEcCcEEEEEEeeecCCCCCCCCCceeEeEEcCcccCCCCCCC
Confidence 98 79999999999 8999887789999999999999999999999999999999999999999986 79
Q 6KWC_1 150 SVNTANHFNAWAQQGLTLGTM---------DYQIVAVQGYF--SSGSASITVS 191 (191)
Q Consensus 150 tI~~~~HF~aW~~~Gl~lG~~---------~~~~~~vEgy~--ssG~a~vtvs 191 (191)
+|++++||+||+++||+||++ +||||+||||. ++|+|+|||+
T Consensus 163 tIt~~~Hf~aW~~~Gl~lG~~~~~~~~~~~~~qi~avEg~~~~ssG~a~~tv~ 215 (217)
T 5VQJ_A 163 KIIFADHVKAWADTGWILPDMNNFDASDDPTYQVLAVEVFNPQKNGTASGQVW 215 (217)
T ss_dssp EEEHHHHHHHHHHTTCCCCCCSCCCSSSCCCCEEEEEEEESCSSCEEEEEEEE
T ss_pred EEEhHHHHHHHHHcCCCCCCCCCCCCCCCCCeEEEEEEEecCCCCceEEEEEe
Confidence 999999999999999999999 69999999999 9999999996
No 22
>5TVY_B Endo-1,4-beta-xylanase A (E.C.3.2.1.8); Computational Design, Fentanyl, HYDROLASE; HET: XPE; 1.0A {Bacillus subtilis (strain 168)}
Probab=100.00 E-value=1.5e-61 Score=399.56 Aligned_cols=179 Identities=48% Similarity=0.912 Sum_probs=168.7 Template_Neff=5.500
Q 6KWC_1 11 NNGYFYSYWNDGHGGVTYTNGPGGQFSVNWSNSGEFVGGKGWQPGTKNKVINFS-GSYNPNGNSYLSVYGWSRNPLIEYY 89 (191)
Q Consensus 11 ~~Gy~y~~W~d~~g~~~~~~~~~g~f~~~W~~~~~~~~gkG~~~g~~~~~~~y~-~~~~~~g~sy~gvYGWt~nPlvEYY 89 (191)
.++|+|+.|.|+.+.++|++.++|+|+|+|++.+||++||||+++++.|+|+|+ ++|.|+|++||+||||+++||||||
T Consensus 4 ~~~~y~~~w~dg~~~~~~t~~~~G~fs~~W~~~~nfv~GkGw~~g~~~r~i~y~~~~~~~~g~syl~vYGWt~nPlvEYY 83 (188)
T 5TVY_B 4 MSTDYWLNFTDGGGIVNAVNGSGGNYSVNWSNTGSFVVGKGWTTGSPFRTINYNAGVWAPNGWGALALVGWTRSPLIAYY 83 (188)
T ss_dssp CCCCEEEEEECSSSEEEEEECSTTEEEEEEESCSEEEEEEEESSCCTTCEEEEEEEEEEECSEEEEEEEEEEETTTEEEE
T ss_pred ccccccceeecCCceEEEecCCCCceEEEEEcCCCEEEEeccCCCCCcEEEEEecceecCCcceEEEeeeccCCCceeeE
Confidence 368999999997777899999999999999999999999999999867999999 7999999999999999999999999
Q 6KWC_1 90 IVENFGTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGT-ATFYQYWSVRRNHRSS---GSVNTANHFNAWAQQGL 165 (191)
Q Consensus 90 IvE~wg~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~-~~f~Qy~SVR~~~r~~---GtI~~~~HF~aW~~~Gl 165 (191)
|||+|+.++|+. +++|++++||++||||++.|+++|||+|+ .+|+||||||+++|++ |||++++||+||+++||
T Consensus 84 Ive~~g~~~p~~--~~~Gt~tsDG~tY~iy~~~R~n~PsI~G~~~tF~QywSVR~~~r~~g~~GtIt~~~Hf~aW~~~Gl 161 (188)
T 5TVY_B 84 VVDSWGTYRWTG--TYKGTVKSDGGTYDIYTTTRYNAPSIDGDRTTFTQYWSVRQSKRPTGSNATITFSNHVNAWKSHGM 161 (188)
T ss_dssp EEEEESSSCCCC--EEEEEEEETTEEEEEEEEEEEEEEETTEEEEEEEEEEEEESSCCCCSSCEEEEHHHHHHHHHHTTC
T ss_pred EEEecccccCCc--eeEEEEEEcCCEEEEEEeeecCCCcccCCCcceEEEEEeccCCCCCCcccEEEchHHHHHHHHcCC
Confidence 999999999873 57999999999999999999999999988 5999999999999975 59999999999999999
Q 6KWC_1 166 TLGT-MDYQIVAVQGYFSSGSASITVS 191 (191)
Q Consensus 166 ~lG~-~~~~~~~vEgy~ssG~a~vtvs 191 (191)
+||+ ++||||+||||.|+|+|+|||+
T Consensus 162 ~lG~~~~~qi~a~Eg~~ssG~a~vtv~ 188 (188)
T 5TVY_B 162 NLGSNWAYQVMATAGYQSSGSSNVTVW 188 (188)
T ss_dssp CCCSEEEEEEEEEEEESCCEEEEEEEC
T ss_pred ccCcccceEEEEEEeccccceEEEEeC
Confidence 9998 6799999999999999999986
No 23
>1T6G_C xylanase inhibitor (E.C.3.2.1.8), Endo-1,4-beta-xylanase I; protein-protein complex, two beta-barrel domain; HET: GOL; 1.8A {Triticum aestivum} SCOP: b.29.1.11
Probab=100.00 E-value=2.1e-61 Score=397.53 Aligned_cols=179 Identities=46% Similarity=0.884 Sum_probs=169.5 Template_Neff=5.500
Q 6KWC_1 11 NNGYFYSYWNDGHGGVTYTNGPGGQFSVNWSNS--GEFVGGKGWQPGTKNKVINFSGSYNPNG-NSYLSVYGWSRNPLIE 87 (191)
Q Consensus 11 ~~Gy~y~~W~d~~g~~~~~~~~~g~f~~~W~~~--~~~~~gkG~~~g~~~~~~~y~~~~~~~g-~sy~gvYGWt~nPlvE 87 (191)
++.++++.|+++.+.++++ .++|.|+|+|++. ++|++||||+++.. ++|+|+++|.|++ ++||+||||+++||||
T Consensus 2 ~~~~~~~~~~~~~~~~~~~-~~~G~ys~~W~~~~~~~fv~GkGw~~g~~-~~i~y~~~~~~~g~~~yl~vYGWt~nPlvE 79 (184)
T 1T6G_C 2 AGINYVQNYNGNLGDFTYD-ESAGTFSMYWEDGVSSDFVVGLGWTTGSS-NAITYSAEYSASGSSSYLAVYGWVNYPQAE 79 (184)
T ss_dssp CCCCEEEEESGGGSEEEEE-TTTTEEEEEEEEEESSCEEEEEEESSCCS-CCEEEEEEEECTTEEEEEEEEEEETTTTEE
T ss_pred CceeeeeccCCccceEEEe-CCCCeEEEEEecCCCCeEEEeeccCCCCc-eeEEEEEEEeCCCCeeEEEEeeecCCceeE
Confidence 4568899999987778886 6889999999984 89999999999984 8999999999965 8999999999999999
Q 6KWC_1 88 YYIVENFGTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRNHRSSGSVNTANHFNAWAQQGLTL 167 (191)
Q Consensus 88 YYIvE~wg~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR~~~r~~GtI~~~~HF~aW~~~Gl~l 167 (191)
|||||+|+.++|+.+++++|++++||++||||++.|+++|||+|+.+|+||||||+++|++|+|++++||+||+++||+|
T Consensus 80 yYIve~~g~~~P~~~~~~~Gt~~sDG~tYdiy~~~r~n~PsI~Gt~tF~QywSVR~~~r~~GtIt~~~Hf~aW~~~Gl~l 159 (184)
T 1T6G_C 80 YYIVEDYGDYNPCSSATSLGTVYSDGSTYQVCTDTRTNEPSITGTSTFTQYFSVRESTRTSGTVTVANHFNFWAQHGFGN 159 (184)
T ss_dssp EEEEEEESSCCTTSSSEEEEEEEETTEEEEEEEEEEEEECCTTSSEEEEEEEEEESSCCSEEEECHHHHHHHHGGGTCCC
T ss_pred EEEEeecccCCCCCCceeeeEEEECCCEEEEEEeeecCCCcccCCceeEEEEEeccccCCceEEEhhHHHHHHHHhCCCC
Confidence 99999999999998788999999999999999999999999999999999999999999999999999999999999999
Q 6KWC_1 168 GTMDYQIVAVQGYFSSGSASITVS 191 (191)
Q Consensus 168 G~~~~~~~~vEgy~ssG~a~vtvs 191 (191)
|+++||||+||||.|+|+|+|||+
T Consensus 160 G~~~~qi~a~Eg~~ssGsa~vtv~ 183 (184)
T 1T6G_C 160 SDFNYQVMAVEAWSGAGSASVTIS 183 (184)
T ss_dssp SSEEEEEEEEEEEEEEEEEEEEEC
T ss_pred CCcceEEEEEeeecCceEEEEEEc
Confidence 999999999999999999999985
No 24
>1XYN_A ENDO-1,4-BETA-XYLANASE I; XYLANASE, HYDROLASE; 2.0A {Hypocrea jecorina} SCOP: b.29.1.11
Probab=100.00 E-value=2.8e-61 Score=395.07 Aligned_cols=175 Identities=52% Similarity=0.897 Sum_probs=165.6 Template_Neff=5.600
Q 6KWC_1 12 NGYFYSYWNDGHGGVTYTNGPGGQFSVNWSNSGEFVGGKGWQPGTKNKVINFSGSYNP-NGNSYLSVYGWSRNPLIEYYI 90 (191)
Q Consensus 12 ~Gy~y~~W~d~~g~~~~~~~~~g~f~~~W~~~~~~~~gkG~~~g~~~~~~~y~~~~~~-~g~sy~gvYGWt~nPlvEYYI 90 (191)
++|+|++|.|+ +.++|++. +|+|+|+|++.+||++||||+++.+ ++|+|+++|.| +|++||+||||+++|||||||
T Consensus 2 ~~~~~~~w~d~-g~~~~~~~-~g~fs~~W~~~~nfv~gkGw~~g~~-~~i~y~~~~~~~~g~syl~vYGWt~nPliEyYI 78 (178)
T 1XYN_A 2 SINYDQNYQTG-GQVSYSPS-NTGFSVNWNTQDDFVVGVGWTTGSS-APINFGGSFSVNSGTGLLSVYGWSTNPLVEYYI 78 (178)
T ss_dssp CCCEEEEEECS-SEEEEEEC-SSEEEEEEEESSCEEEEEEESSCCS-SCEEEEEEEEESSSEEEEEEEEEEETTTEEEEE
T ss_pred CcccccccccC-ceeEEeCC-CCceEEEEecCCCEEEEeeeCCCCC-ceEEEEEEEeCCCCceEEEEeeccCCceeeEEE
Confidence 57999999995 67888875 6799999999999999999999984 89999999998 799999999999999999999
Q 6KWC_1 91 VENFGTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRNHRSSGSVNTANHFNAWAQQGLTLGTM 170 (191)
Q Consensus 91 vE~wg~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR~~~r~~GtI~~~~HF~aW~~~Gl~lG~~ 170 (191)
||+|+.+.| +++++|++++||++||||++.|+++|||+|+.+|+||||||+++|.+|+|++++||+||+++||+||++
T Consensus 79 ve~~g~~~~--~~~~~Gt~~~DG~tYdvy~~~r~n~psI~Gt~tF~QywSVR~~~r~~GtI~~~~Hf~aW~~~G~~lG~~ 156 (178)
T 1XYN_A 79 MEDNHNYPA--QGTVKGTVTSDGATYTIWENTRVNEPSIQGTATFNQYISVRNSPRTSGTVTVQNHFNAWASLGLHLGQM 156 (178)
T ss_dssp EEEEESCCC--CSEEEEEEEETTEEEEEEEEEEEEEEETTEEEEEEEEEEEESSCCSSEEECHHHHHHHHHHTTCCCCEE
T ss_pred EeccccCCC--CCeeEEEEEEcCCEEEEEEeeecCCCcccCCceEEEEEEeccCCCCceeEEhhHHHHHHHHhCcccCCc
Confidence 999999955 357899999999999999999999999999999999999999999999999999999999999999999
Q 6KWC_1 171 DYQIVAVQGYFSSGSASITVS 191 (191)
Q Consensus 171 ~~~~~~vEgy~ssG~a~vtvs 191 (191)
+||+|+||||.|+|+|+|||+
T Consensus 157 ~~qi~~~Eg~~ssG~a~~tv~ 177 (178)
T 1XYN_A 157 NYQVVAVEGWGGSGSASQSVS 177 (178)
T ss_dssp EEEEEEEEEESEEEEEEEEEE
T ss_pred ceEEEEEecccCceeEeeEec
Confidence 999999999999999999996
No 25
>2QZ2_A Endo-1,4-beta-xylanase I (E.C.3.2.1.8); glycoside hydrolase, xylanase, Glycosidase, Xylan; HET: XYP; 2.8A {Aspergillus niger}
Probab=100.00 E-value=3.6e-61 Score=396.22 Aligned_cols=179 Identities=47% Similarity=0.884 Sum_probs=169.5 Template_Neff=5.600
Q 6KWC_1 11 NNGYFYSYWNDGHGGVTYTNGPGGQFSVNWSNS--GEFVGGKGWQPGTKNKVINFSGSYNPNG-NSYLSVYGWSRNPLIE 87 (191)
Q Consensus 11 ~~Gy~y~~W~d~~g~~~~~~~~~g~f~~~W~~~--~~~~~gkG~~~g~~~~~~~y~~~~~~~g-~sy~gvYGWt~nPlvE 87 (191)
.+.++++.|+++.+.++++ .++|+|+|+|++. .+|++||||+++.+ ++|+|+++|.|++ ++||+||||+++||||
T Consensus 2 ~~~~~~~~w~~~~~~~~~~-~~~G~fs~~W~~~~~~~f~~GkGw~~g~~-~~i~y~~~~~~~g~~~yl~vYGWt~nPlvE 79 (184)
T 2QZ2_A 2 AGINYVQNYNGNLGDFTYD-ESAGTFSMYWEDGVSSDFVVGLGWTTGSS-NAITYSAEYSASGSSSYLAVYGWVNYPQAE 79 (184)
T ss_dssp CCCCEEEEESGGGSEEEEE-TTTTEEEEEETTCCSSCEEEEEEESSCCS-CCEEEEEEEECTTEEEEEEEEEEETTTTEE
T ss_pred CceeeeeeccCccceEEEe-CCCCeEEEEEecCCCCeEEEeeccCCCcc-eeEEEEEEEeCCCCeeEEEEeeecCCceeE
Confidence 4568899999987778886 6789999999985 89999999999984 8999999999965 8999999999999999
Q 6KWC_1 88 YYIVENFGTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRNHRSSGSVNTANHFNAWAQQGLTL 167 (191)
Q Consensus 88 YYIvE~wg~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR~~~r~~GtI~~~~HF~aW~~~Gl~l 167 (191)
|||||+|+.++|+.+++++|++++||++||||++.|+++|||+|+.+|+||||||+++|++|+|++++||+||+++||+|
T Consensus 80 yYIve~~g~~~P~~~~~~~Gt~~sDG~tYdvy~~~r~n~PsI~G~~tF~QywSVR~~~r~~GtI~~~~Hf~aW~~~G~~l 159 (184)
T 2QZ2_A 80 YYIVEDYGDYNPCSSATSLGTVYSDGSTYQVCTDTRTNEPSITGTSTFTQYFSVRESTRTSGTVTVANHFNFWAQHGFGN 159 (184)
T ss_dssp EEEEEEESSCCGGGTSEEEEEEEETTEEEEEEEEEEEEEEETTEEEEEEEEEEEESSCCSEEEECHHHHHHHHGGGTCCC
T ss_pred EEEEeecccCCCCCCceeeeEEEECCCEEEEEEeeecCCCcccCCcceEEEEEeccccCCceEEEhhHHHHHHHHcCCCC
Confidence 99999999999998788999999999999999999999999999999999999999999999999999999999999999
Q 6KWC_1 168 GTMDYQIVAVQGYFSSGSASITVS 191 (191)
Q Consensus 168 G~~~~~~~~vEgy~ssG~a~vtvs 191 (191)
|+++||||+||||.|+|+|+|||+
T Consensus 160 G~~~~qi~a~Eg~~ssG~a~vtv~ 183 (184)
T 2QZ2_A 160 SDFNYQVVAVAAWSGAGSASVTIS 183 (184)
T ss_dssp SSEEEEEEEEEEEEECEEEEEEEC
T ss_pred CCCceEEEEEeeccCceEEEEEEe
Confidence 999999999999999999999985
No 26
>6QE8_A Endo-1,4-beta-xylanase A (E.C.3.2.1.8); HYDROLASE; HET: HZB, SO4, MES; 1.79A {Aspergillus niger}
Probab=100.00 E-value=7e-61 Score=401.51 Aligned_cols=182 Identities=46% Similarity=0.868 Sum_probs=169.8 Template_Neff=5.300
Q 6KWC_1 8 TGYNNGYFYSYWNDGHGGVTYTNGPGGQFSVNWSNS--GEFVGGKGWQPGTKNKVINFSGSYNPNG-NSYLSVYGWSRNP 84 (191)
Q Consensus 8 ~G~~~Gy~y~~W~d~~g~~~~~~~~~g~f~~~W~~~--~~~~~gkG~~~g~~~~~~~y~~~~~~~g-~sy~gvYGWt~nP 84 (191)
....+.++|+.|+++.+.+++. .++|.|+|+|++. +||++||||+++. .++|+|+++|++++ ++||+||||+++|
T Consensus 26 ~~~~~~~~~~~~~~~~~~~~~~-~~~G~fsv~W~~~~~~~fv~GkGw~~g~-~~~i~y~~~~~~~g~~syl~vYGWt~nP 103 (211)
T 6QE8_A 26 SRSAGINYVQNYNGNLGDFTYD-ESAGTFSMYWEDGVSSDFVVGLGWTTGS-SNAITYSAEYSASGSSSYLAVYGWVNYP 103 (211)
T ss_dssp ---CCCCEEEEESGGGSEEEEE-TTTTEEEEECTTCBSSCEEEEEEESSCC-SCCEEEEEEEECTTSEEEEEEEEEETTT
T ss_pred cccCceeeeEeecCCCceEEEe-CCCceEEEEEeCCCCCceEeecccCCCC-CceEEEEEEEcCCCCceEEEEEecCCCc
Confidence 3466788999999987777776 5789999999985 8999999999998 48999999999964 8999999999999
Q 6KWC_1 85 LIEYYIVENFGTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRNHRSSGSVNTANHFNAWAQQG 164 (191)
Q Consensus 85 lvEYYIvE~wg~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR~~~r~~GtI~~~~HF~aW~~~G 164 (191)
||||||||+|+.++|+.+++++|++++||++||||++.|.++|||+|+.+|+||||||+++|.+|+|++++||+||+++|
T Consensus 104 lvEyYIve~~g~~~P~~~~~~~Gt~tsDG~tYdvy~~~R~n~psI~Gt~tF~QywSVR~~~r~~GtI~~~~Hf~aW~~~G 183 (211)
T 6QE8_A 104 QAEYYIVEDYGDYNPCSSATSLGTVYSDGSTYQVCTDTRTNEPSITGTSTFTQYFSVRESTRTSGTVTVANHFNFWAQHG 183 (211)
T ss_dssp TEEEEEEEEESSCCHHHHSEEEEEEEETTEEEEEEEEEEEEEEETTEEEEEEEEEEEESSCCSEEEECHHHHHHHHHTTT
T ss_pred ceeEEEEEecccccCCCCceEEEEEEECCCEEEEEEeeecCCCcccCCceeEEEEEecCCcCCcceEEhhHHHHHHHHcC
Confidence 99999999999999998888999999999999999999999999999999999999999999999999999999999999
Q 6KWC_1 165 LTLGTMDYQIVAVQGYFSSGSASITVS 191 (191)
Q Consensus 165 l~lG~~~~~~~~vEgy~ssG~a~vtvs 191 (191)
|+||+++||||+||||.|+|+|+|||+
T Consensus 184 ~~lG~~~yqi~a~Eg~~ssGsa~vtv~ 210 (211)
T 6QE8_A 184 FGNSDFNYQVMAVEAWSGAGSASVTIS 210 (211)
T ss_dssp CCCSSEEEEEEEEEEEEBCCEEEEEEC
T ss_pred cccCCCceEEEEEecccccceEEEEEc
Confidence 999999999999999999999999985
No 27
>6KKA_B Endo-1,4-beta-xylanase (E.C.3.2.1.8); GH11, xylanase, enzyme, hydrolase; HET: GOL, EPE, MPD, CIT; 2.36A {Bacillus sp. 41M-1}
Probab=100.00 E-value=2.3e-60 Score=420.89 Aligned_cols=186 Identities=46% Similarity=0.873 Sum_probs=176.4 Template_Neff=5.600
Q 6KWC_1 4 IQPGTGYNNGYFYSYWNDGHGGVTYTNGPGGQFSVNWSNSGEFVGGKGWQPGTK-------NKVINFSGSYNPNGNSYLS 76 (191)
Q Consensus 4 ~~~~~G~~~Gy~y~~W~d~~g~~~~~~~~~g~f~~~W~~~~~~~~gkG~~~g~~-------~~~~~y~~~~~~~g~sy~g 76 (191)
++++.|.+++|+|++|+|+.+.++|++.++|.|+|+|++.+||++||||.++.. ++.|+|+++|.|+|++||+
T Consensus 3 t~~~~g~~~gy~y~~W~d~~g~~~~t~~~gG~fs~~W~~~~nfv~gkG~~~~~~~~~~~~g~~~i~Y~~~~~~~GnsYl~ 82 (327)
T 6KKA_B 3 TSNEIGTHDGYDYEFWKDSGGSGSMTLNSGGTFSAQWSNVNNILFRKGKKFDETQTHQQIGNMSINYGATYNPNGNSYLA 82 (327)
T ss_dssp CSCEEEEETTEEEEEEECSSSEEEEEECSTTCEEEEEESCSEEEEEEEEECCSCCCHHHHCCEEEEEEEEEEEEEEEEEE
T ss_pred cccceeeecCeeeeeeecCCCeeeEEcCCCCceEEEEEcCCCEEEEceecCCCCCceeeccceEEEEEEEeCCCCceEEE
Confidence 466788999999999999767789999899999999999999999999998763 4789999999999999999
Q 6KWC_1 77 VYGWSRNPLIEYYIVENFGTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRNHRSSGSVNTANH 156 (191)
Q Consensus 77 vYGWt~nPlvEYYIvE~wg~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR~~~r~~GtI~~~~H 156 (191)
||||+++|||||||||+|+.|+|+. ++++|++++||++||||++.|+++|||+|+.+|+||||||+++|.+|||++++|
T Consensus 83 vYGWt~nPlvEYYIve~~g~~~P~~-~~~~Gt~t~DG~tYdiy~~~R~nqPSI~Gt~tF~QywSVR~~~r~~GtItv~~H 161 (327)
T 6KKA_B 83 VYGWTVDPLVEFYIVDSWGTWRPPG-GTPKGTINVDGGTYQIYETTRYNQPSIKGTATFQQYWSVRTSKRTSGTISVSEH 161 (327)
T ss_dssp EEEEEETTTEEEEEEEEESSSCSCC-SCCCEEEEETTEEEEEEEEEEEEECCTTSSEEEEEEEEEESSCCSEEEECHHHH
T ss_pred EEeccCCCceeEEEEeeCcccCCCC-CceeeEEEEcCCeEEEEEEeecCCCccccCceEEEEEEeccCCCCcceEEHHHH
Confidence 9999999999999999999999984 578999999999999999999999999999999999999999999999999999
Q 6KWC_1 157 FNAWAQQGLTLGTMDYQIVAVQGYFSSGSASITV 190 (191)
Q Consensus 157 F~aW~~~Gl~lG~~~~~~~~vEgy~ssG~a~vtv 190 (191)
|+||+++||+||++++|+|+||||+|||+|+||+
T Consensus 162 f~aW~~~G~~lG~~~~~~~~~Eg~~ssG~a~vt~ 195 (327)
T 6KKA_B 162 FRAWESLGMNMGNMYEVALTVEGYQSSGSANVYS 195 (327)
T ss_dssp HHHHHHTTCCCCEEEEEEEEEEEEEEEEEEEEEE
T ss_pred HHHHHHcCcCCCCcceEEeEeeccccccEEEEEE
Confidence 9999999999999999999999999999999975
No 28
>3M4F_C Endo-1,4-beta-xylanase (E.C.3.2.1.8); family 11 endoxylanase, acidophilic adaptation; HET: CXS; 1.89A {Scytalidium acidophilum}
Probab=100.00 E-value=5.2e-60 Score=394.63 Aligned_cols=180 Identities=44% Similarity=0.859 Sum_probs=167.6 Template_Neff=5.200
Q 6KWC_1 9 GYNNGYFYSYWNDGHGGVTYTNGPGGQFSVNWSNSGEFVGGKGWQPGTKNKVINFSGSYNPNG-NSYLSVYGWSRNPLIE 87 (191)
Q Consensus 9 G~~~Gy~y~~W~d~~g~~~~~~~~~g~f~~~W~~~~~~~~gkG~~~g~~~~~~~y~~~~~~~g-~sy~gvYGWt~nPlvE 87 (191)
...+.++++.|+++.+.+++.+ .+|.|+|+|++.+||++||||+++. .|+|+|+++|+|++ ++||+||||+++||||
T Consensus 25 ~~~~~~~~~~~~~~~~~~~~~~-~~G~ysv~W~~~~nfv~GkGw~~G~-~r~i~Y~~~~~~~g~~sYl~vYGWt~nPlvE 102 (205)
T 3M4F_C 25 NPGGIDYVQNYNGDVADFQYNE-GAGTYTCGWDGSTDFVVGLGWSTGA-ARDITYSATYNAGGSGSYLAVYGWVNSPQAE 102 (205)
T ss_dssp CGGGCCEEEEESGGGGTCEEET-TTTEEEEEEESSSCEEEEEEESSCC-SCEEEEEEEEECTTSEEEEEEEEEETTTTEE
T ss_pred CCCccceeecccCCcceEEEeC-CCcceEEEEecCCCEEEEEeecCCC-ceEEEEEEEEcCCCCceEEEEEeccCCcceE
Confidence 4556777788888766777754 5699999999999999999999998 58999999999976 8999999999999999
Q 6KWC_1 88 YYIVENFGTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRNHRSSGSVNTANHFNAWAQQGLTL 167 (191)
Q Consensus 88 YYIvE~wg~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR~~~r~~GtI~~~~HF~aW~~~Gl~l 167 (191)
|||||+|+.++|+.+++++|++++||++||||++.|+++|||+|+.+|+||||||+++|.+|+|++++||+||+++||++
T Consensus 103 YYIve~~g~~~P~~~~~~~Gt~tsDG~tYdiy~~~R~n~PSI~Gt~tF~QywSVR~~~r~~GtI~~~~Hf~aW~~~G~~~ 182 (205)
T 3M4F_C 103 YYIVESYGDYNPCSNAEGLGTLESDGSTYTVCTDTRTNEPSITGTSTFTQYWSVRQSERTSGTVTVGNHFNYWAQHGFGD 182 (205)
T ss_dssp EEEEEEESSCCTTSSSEEEEEEEETTEEEEEEEEEEEEEEETTEEEEEEEEEEEESSCCSEEEEEHHHHHHHHHTTTCCC
T ss_pred EEEEeeccccCCCCCceeeeEEEEcCceEEEEEeeecCCCccccCceeEEEEEeccCCCCceEEEchHHHHHHHHcCCCC
Confidence 99999999999998888999999999999999999999999999999999999999999999999999999999999997
Q 6KWC_1 168 GTMDYQIVAVQGYFSSGSASITVS 191 (191)
Q Consensus 168 G~~~~~~~~vEgy~ssG~a~vtvs 191 (191)
.++||||+||||.|+|+|+|||+
T Consensus 183 -~~~yqila~Eg~~ssGsa~vtv~ 205 (205)
T 3M4F_C 183 -SYNFQVMAVEAFSGSGSASVSVS 205 (205)
T ss_dssp -CEEEEEEEEEEEESEEEEEEEEC
T ss_pred -CCcEEEEEEEccccceeEEEEeC
Confidence 68999999999999999999986
No 29
>2DCJ_B xylanase J (E.C.3.2.1.8); family 11, Xylan Binding Domain; HET: GOL, MPD; 2.24A {Bacillus sp.}
Probab=100.00 E-value=8.6e-60 Score=420.89 Aligned_cols=187 Identities=45% Similarity=0.868 Sum_probs=176.7 Template_Neff=5.500
Q 6KWC_1 3 TIQPGTGYNNGYFYSYWNDGHGGVTYTNGPGGQFSVNWSNSGEFVGGKGWQPGTK-------NKVINFSGSYNPNGNSYL 75 (191)
Q Consensus 3 ~~~~~~G~~~Gy~y~~W~d~~g~~~~~~~~~g~f~~~W~~~~~~~~gkG~~~g~~-------~~~~~y~~~~~~~g~sy~ 75 (191)
.+++.+|.+++|+|++|.|+.+.++|++.++|.|+|+|++.+||++||||.++.. ++.|+|+++|+|+|++||
T Consensus 29 ~t~~~~g~~~gy~y~~W~d~~g~~s~t~~~gG~fs~~W~~~gnf~~gkG~~~~~~~~~~~~g~~~i~Y~~~~~~~GnsYl 108 (354)
T 2DCJ_B 29 ITSNEIGTHDGYDYEFWKDSGGSGSMTLNSGGTFSAQWSNVNNILFRKGKKFDETQTHQQIGNMSINYGATYNPNGNSYL 108 (354)
T ss_dssp BCSCEEEEETTEEEEEEECSSSEEEEEECSTTCEEEEEESCSEEEEEEEEECCSCCCHHHHCCEEEEEEEEEEEEEEEEE
T ss_pred cCCCccceecceeeeeeecCCCeeeEEcCCCCceEEEEEcCCCEEEEceecCCCCCceeeccceEEEEEEEeCCCCceEE
Confidence 3466788999999999999877789999899999999999999999999988763 478999999999999999
Q 6KWC_1 76 SVYGWSRNPLIEYYIVENFGTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRNHRSSGSVNTAN 155 (191)
Q Consensus 76 gvYGWt~nPlvEYYIvE~wg~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR~~~r~~GtI~~~~ 155 (191)
+||||+++|||||||||+|+.|+|+. ++++|++++||++||||++.|+++|||+|+.+|+||||||+++|++|||++++
T Consensus 109 ~vYGWt~nPlvEYYIve~~g~~~P~~-~~~~Gt~tsDG~tYdiy~~~R~nqPSI~Gt~tF~QywSVR~~~r~~GtItv~~ 187 (354)
T 2DCJ_B 109 TVYGWTVDPLVEFYIVDSWGTWRPPG-GTPKGTINVDGGTYQIYETTRYNQPSIKGTATFQQYWSVRTSKRTSGTISVSE 187 (354)
T ss_dssp EEEEEEETTTEEEEEEEEESSSCSCC-SCCCEEEEETTEEEEEEEEEEEEECCTTSSEEEEEEEEEESSCCSEEEECHHH
T ss_pred EEeeccCCCceeEEEEeeCcccCCCC-CceeeEEEEcCCeEEEEEEeecCCCceecCceEEEEEEecCCCCCccEEEhHH
Confidence 99999999999999999999999984 57899999999999999999999999999999999999999999999999999
Q 6KWC_1 156 HFNAWAQQGLTLGTMDYQIVAVQGYFSSGSASITV 190 (191)
Q Consensus 156 HF~aW~~~Gl~lG~~~~~~~~vEgy~ssG~a~vtv 190 (191)
||+||+++||+||++++|+|+||||+|||+|+||+
T Consensus 188 Hf~aW~~~Gm~lG~~~~~~~~vEg~~ssGsa~vt~ 222 (354)
T 2DCJ_B 188 HFRAWESLGMNMGNMYEVALTVEGYQSSGSANVYS 222 (354)
T ss_dssp HHHHHHHTTCCCCEEEEEEEEEEEEEEEEEEEEEE
T ss_pred HHHHHHHcCcCCCCcceEEEEeeccccccEEEEEE
Confidence 99999999999999999999999999999999975
No 30
>2DCK_A xylanase J (E.C.3.2.1.8); family 11, Xylan Binding Domain; HET: GOL; 2.1A {Bacillus sp.}
Probab=100.00 E-value=8.6e-60 Score=420.89 Aligned_cols=187 Identities=45% Similarity=0.868 Sum_probs=176.7 Template_Neff=5.500
Q 6KWC_1 3 TIQPGTGYNNGYFYSYWNDGHGGVTYTNGPGGQFSVNWSNSGEFVGGKGWQPGTK-------NKVINFSGSYNPNGNSYL 75 (191)
Q Consensus 3 ~~~~~~G~~~Gy~y~~W~d~~g~~~~~~~~~g~f~~~W~~~~~~~~gkG~~~g~~-------~~~~~y~~~~~~~g~sy~ 75 (191)
.+++.+|.+++|+|++|.|+.+.++|++.++|.|+|+|++.+||++||||.++.. ++.|+|+++|+|+|++||
T Consensus 29 ~t~~~~g~~~gy~y~~W~d~~g~~s~t~~~gG~fs~~W~~~gnf~~gkG~~~~~~~~~~~~g~~~i~Y~~~~~~~GnsYl 108 (354)
T 2DCK_A 29 ITSNEIGTHDGYDYEFWKDSGGSGSMTLNSGGTFSAQWSNVNNILFRKGKKFDETQTHQQIGNMSINYGATYNPNGNSYL 108 (354)
T ss_dssp BCSCEEEEETTEEEEEEECSSSEEEEEECSTTCEEEEEEEEEEEEEEEEEECCSCCCHHHHCCEEEEEEEEEEEEEEEEE
T ss_pred cCCCccceecceeeeeeecCCCeeeEEcCCCCceEEEEEcCCCEEEEceecCCCCCceeeccceEEEEEEEeCCCCceEE
Confidence 3466788999999999999877789999899999999999999999999988763 478999999999999999
Q 6KWC_1 76 SVYGWSRNPLIEYYIVENFGTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRNHRSSGSVNTAN 155 (191)
Q Consensus 76 gvYGWt~nPlvEYYIvE~wg~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR~~~r~~GtI~~~~ 155 (191)
+||||+++|||||||||+|+.|+|+. ++++|++++||++||||++.|+++|||+|+.+|+||||||+++|++|||++++
T Consensus 109 ~vYGWt~nPlvEYYIve~~g~~~P~~-~~~~Gt~tsDG~tYdiy~~~R~nqPSI~Gt~tF~QywSVR~~~r~~GtItv~~ 187 (354)
T 2DCK_A 109 TVYGWTVDPLVEFYIVDSWGTWRPPG-GTPKGTINVDGGTYQIYETTRYNQPSIKGTATFQQYWSVRTSKRTSGTISVSE 187 (354)
T ss_dssp EEEEEEETTTEEEEEEEEESSSCSCC-SCCCEEEEETTEEEEEEEEEEEEECCTTSSEEEEEEEEEESSCCSEEEECHHH
T ss_pred EEeeccCCCceeEEEEeeCcccCCCC-CceeeEEEEcCCeEEEEEEeecCCCceecCceEEEEEEecCCCCCccEEEhHH
Confidence 99999999999999999999999984 57899999999999999999999999999999999999999999999999999
Q 6KWC_1 156 HFNAWAQQGLTLGTMDYQIVAVQGYFSSGSASITV 190 (191)
Q Consensus 156 HF~aW~~~Gl~lG~~~~~~~~vEgy~ssG~a~vtv 190 (191)
||+||+++||+||++++|+|+||||+|||+|+||+
T Consensus 188 Hf~aW~~~Gm~lG~~~~~~~~vEg~~ssGsa~vt~ 222 (354)
T 2DCK_A 188 HFRAWESLGMNMGNMYEVALTVEGYQSSGSANVYS 222 (354)
T ss_dssp HHHHHHHTTCCCCEEEEEEEEEEEEEEEEEEEEEE
T ss_pred HHHHHHHcCcCCCCcceEEEEeeccccccEEEEEE
Confidence 99999999999999999999999999999999975
No 31
>2VG9_A BIFUNCTIONAL ENDO-1,4-BETA-XYLANASE A (E.C.3.2.1.8); XYLANASE, HYDROLASE, GLYCOSIDASE, BETA JELLY; 2.0A {NEOCALLIMASTIX PATRICIARUM}
Probab=100.00 E-value=6e-59 Score=391.69 Aligned_cols=184 Identities=36% Similarity=0.761 Sum_probs=167.4 Template_Neff=5.600
Q 6KWC_1 3 TIQPGTGYNNGYFYSYWNDGHGGVTYTNGPGGQFSVNWSN---SGEFVGGKGWQPGTKNK-------VINFSGSYNP--- 69 (191)
Q Consensus 3 ~~~~~~G~~~Gy~y~~W~d~~g~~~~~~~~~g~f~~~W~~---~~~~~~gkG~~~g~~~~-------~~~y~~~~~~--- 69 (191)
.+++.+|.+++|+|++|.|+ +.+++++.++|.|+|+|++ .+||++||||.++...+ .|+|+++|++
T Consensus 8 ~~~~~~g~~~gy~y~~W~dg-g~~~~t~~~~G~fs~~W~~~~n~gnfv~gkGw~~g~~~~~~~~~~~~i~y~~~y~~~~~ 86 (217)
T 2VG9_A 8 GQNQHKGVNDGFSYEIWTNG-GEGSMTLGSGATFKAEWNAAVNRGNFLARRGLDFGSQKKATDYDYIGLDYAATYKQTAS 86 (217)
T ss_dssp SCSEEEEEETTEEEEEEEEB-CEEEEEECSTTCEEEEEECCSTTCEEEEEEEEECTTCSBGGGSSCEEEEEEEEEEEEEE
T ss_pred CccCccceeCceeeeeeecC-CceeEecCCCCeeEEEEeccCcCCcEEEEeccCCCCCceeeecceeeEEEEEEEeeccC
Confidence 35677889999999999998 5678888889999999996 48999999999987422 3889888854
Q 6KWC_1 70 -NGNSYLSVYGWSRN------PLIEYYIVENFGTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGT-ATFYQYWSV 141 (191)
Q Consensus 70 -~g~sy~gvYGWt~n------PlvEYYIvE~wg~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~-~~f~Qy~SV 141 (191)
+|++||+||||+++ |||||||||+|+.|+|+.. .|++++||++||||+..|. +|+|+|. .+|+|||||
T Consensus 87 ~~G~syl~vYGWt~n~~~~~~PlvEYYIve~~g~~~P~~~---~gt~tsDG~tY~iy~~~r~-~psi~g~~~tF~QywSV 162 (217)
T 2VG9_A 87 ASGNSRLCVYGWFQNRGLNGVPLVEYYIIEDWVDWVPDAQ---GKMVTIDGAQYKIFQMDHT-GPTINGGSETFKQYFSV 162 (217)
T ss_dssp EEEEEEEEEEEEEECTTCSSCCCEEEEEEEEEESCCCCCS---CEEEEETTEEEEEEEEEEE-EEETTEEEEEEEEEEEE
T ss_pred CCCceEEEEEEeecCCCCCCCceEEEEEEEecCCCCCCcC---CcEEEECCeEEEEEEEeec-CCCccCCCcceeeeEEE
Confidence 89999999999999 9999999999999999853 5799999999999999996 6999875 799999999
Q 6KWC_1 142 RRNHRSSGSVNTANHFNAWAQQGLTLGTMDYQIVAVQGYFSSGSASITVS 191 (191)
Q Consensus 142 R~~~r~~GtI~~~~HF~aW~~~Gl~lG~~~~~~~~vEgy~ssG~a~vtvs 191 (191)
|+++|.+|+|++++||+||+++||+||++++|+|+||||.|||+|+|||+
T Consensus 163 R~~~r~~GtIt~~~Hf~aW~~~G~~lG~~~~~~~a~Eg~~ssG~a~vt~~ 212 (217)
T 2VG9_A 163 RQQKRTSGHITVSDHFKEWAKQGWGIGNLYEVALNAEGWQSSGVADVTLL 212 (217)
T ss_dssp ESSCCSEEEEEHHHHHHHHHTTTCCCCEECEEEEEEEEEEEEEEEEEEEE
T ss_pred ccccCCCceEEhHHHHHHHHHcCCCCCCceEEEEEEeccccceEEEEEEe
Confidence 99999999999999999999999999999999999999999999999985
No 32
>2C1F_A BIFUNCTIONAL ENDO-1,4-BETA-XYLANASE A (E.C.3.2.1.8); HYDROLASE, GLYCOSIDASE; 2.1A {NEOCALLIMASTIX PATRICIARUM}
Probab=100.00 E-value=3.7e-58 Score=390.59 Aligned_cols=184 Identities=36% Similarity=0.750 Sum_probs=168.3 Template_Neff=5.500
Q 6KWC_1 4 IQPGTGYNNGYFYSYWNDG-HGGVTYTNGPGGQFSVNWSN---SGEFVGGKGWQPGTKNK-------VINFSGSYNP--- 69 (191)
Q Consensus 4 ~~~~~G~~~Gy~y~~W~d~-~g~~~~~~~~~g~f~~~W~~---~~~~~~gkG~~~g~~~~-------~~~y~~~~~~--- 69 (191)
+++.+|..++|+|++|.|+ .+.++|++.++|.|+|+|++ .+||++||||+++...+ .|+|+++|++
T Consensus 9 ~~~~~g~~~gy~y~~W~d~~~g~~~~t~~~gG~fsv~W~~~~~~gnfv~gkGw~~g~~~~~~~~~~~~i~y~~~y~~~~~ 88 (234)
T 2C1F_A 9 QNQHKGVNDGFSYEIWLDNTGGNGSMTLGSGATFKAEWNAAVNRGNFLARRGLDFGSQKKATDYDYIGLDYAATYKQTAS 88 (234)
T ss_dssp CCEEEEEETTEEEEEEECTTSCEEEEEECSTTCEEEEEECCSTTCEEEEEEEEECTTCSBGGGSSCEEEEEEEEEEEEEE
T ss_pred cccccceeCceeeEeEeCCCCceeEEEcCCCCeeEEEEeccCcCCCEEEEeccCCCCCceeeecceeeEEEEEEEecccC
Confidence 4667889999999999997 46789999999999999996 58999999999987432 3889888864
Q 6KWC_1 70 -NGNSYLSVYGWSRN------PLIEYYIVENFGTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGT-ATFYQYWSV 141 (191)
Q Consensus 70 -~g~sy~gvYGWt~n------PlvEYYIvE~wg~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~-~~f~Qy~SV 141 (191)
+|++||+||||+++ |||||||||+|+.|+|+.. .|++++||++||||+..|. +|||+|. .+|+|||||
T Consensus 89 ~~G~sYl~vYGWt~n~~~~~~PLvEYYIve~~g~~~P~~~---~gt~tsDG~tYdIy~~~R~-~psi~G~t~tF~QywSV 164 (234)
T 2C1F_A 89 ASGNSRLCVYGWFQNRGLNGVPLVEYYIIEDWVDWVPDAQ---GKMVTIDGAQYKIFQMDHT-GPTINGGSETFKQYFSV 164 (234)
T ss_dssp EEEEEEEEEEEEEECTTCTTCCCEEEEEEEEEESCCCCCS---CEEEEETTEEEEEEEEEEE-EEETTEEEEEEEEEEEE
T ss_pred CCCceEEEEEeeeCCCCcCCCceEEEEEEEecccCCCCcC---CcEEEECCcEEEEEEeeec-CCCccCCccceeEeEEE
Confidence 79999999999999 9999999999999999853 5799999999999999995 6999975 799999999
Q 6KWC_1 142 RRNHRSSGSVNTANHFNAWAQQGLTLGTMDYQIVAVQGYFSSGSASITVS 191 (191)
Q Consensus 142 R~~~r~~GtI~~~~HF~aW~~~Gl~lG~~~~~~~~vEgy~ssG~a~vtvs 191 (191)
|+++|.+|||++++||+||+++||+||++++|+|+||||.|||+|+|||+
T Consensus 165 R~~kr~~GtIt~~~Hf~AW~~~Gm~lG~~~~~~~~~Eg~~ssGsa~vt~~ 214 (234)
T 2C1F_A 165 RQQKRTSGHITVSDHFKEWAKQGWGIGNLYEVALNAEGWQSSGVADVTLL 214 (234)
T ss_dssp ESSCCSEEEEEHHHHHHHHHHTTCCCCEECEEEEEEEEEEEEEEEEEEEE
T ss_pred cccccCccEEEhHHHHHHHHHcCCCCCCceeEEEEEeccccceEEEEEEE
Confidence 99999999999999999999999999999999999999999999999985
No 33
>1AXK_B GLUXYN-1; GLUXYN-1, BIFUNCTIONAL, FUSION PROTEIN, 1,4-BETA-XYLANASE; 2.1A {Bacillus subtilis} SCOP: b.29.1.2, b.29.1.11
Probab=100.00 E-value=1e-57 Score=411.93 Aligned_cols=180 Identities=51% Similarity=1.018 Sum_probs=169.2 Template_Neff=7.700
Q 6KWC_1 10 YNNGYFYSYWNDGHGGVTYTNGPGGQFSVNWSNSGEFVGGKGWQPGTKNKVINFS-GSYNPNGNSYLSVYGWSRNPLIEY 88 (191)
Q Consensus 10 ~~~Gy~y~~W~d~~g~~~~~~~~~g~f~~~W~~~~~~~~gkG~~~g~~~~~~~y~-~~~~~~g~sy~gvYGWt~nPlvEY 88 (191)
..++++|+.|.++.+.+++++.++|.|+|+|++.+||++||||+++.+.|+|+|+ ++|+++|++||+||||+++|||||
T Consensus 156 ~~sg~~~~~w~d~~~~~~~~~~~~G~ysv~W~~~~~~~~g~g~~~g~~~~~i~y~~~~~~~~g~~~~~~ygw~~~pl~ey 235 (394)
T 1AXK_B 156 NASTDYWQNWTDGGGIVNAVNGSGGNYSVNWSNTGNFVVGKGWTTGSPFRTINYNAGVWAPNGNGYLTLYGWTRSPLIEY 235 (394)
T ss_dssp CCCCCEEEEEECSSSEEEEEECSTTEEEEEEESCSEEEEEEEESSCCTTCEEEEEEEEEEEEEEEEEEEEEEEETTTEEE
T ss_pred cCCccccccccCCCceEeeecCCCCeeEEEeecCCcEEEeeeecCCCCceEEEEecceeccCCceEEEEeeccCCCceEE
Confidence 3468999999998777888889999999999999999999999999866999999 799999999999999999999999
Q 6KWC_1 89 YIVENFGTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGT-ATFYQYWSVRRNHRSS---GSVNTANHFNAWAQQG 164 (191)
Q Consensus 89 YIvE~wg~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~-~~f~Qy~SVR~~~r~~---GtI~~~~HF~aW~~~G 164 (191)
||||+|+.++|+ ++.+|++++||++||||++.|+|+|||+|+ .+|+||||||+++|.+ |||++++||+||+++|
T Consensus 236 yive~~~~~~p~--~~~~g~~~~dg~~Y~~~~~~r~~~psi~g~~~tf~qy~svr~~~r~~g~~gti~~~~hf~~w~~~g 313 (394)
T 1AXK_B 236 YVVDSWGTYRPT--GTYKGTVKSDGGTYDIYTTTRYNAPSIDGDRTTFTQYWSVRQSKRPTGSNATITFSNHVNAWKSHG 313 (394)
T ss_dssp EEEEEESSCCCC--CEEEEEEEETTEEEEEEEEEEEEEEETTEEEEEEEEEEEEESSCCCCSSCEEEEHHHHHHHHHHTT
T ss_pred EEEeccCCCCCC--CcEEEEEEeCCcEEEEEEEeeeCCCceeCCCcceeEEEEecCCCCCCCCCcEEEchHHHHHHHHcC
Confidence 999999999998 357999999999999999999999999987 5999999999999975 5999999999999999
Q 6KWC_1 165 LTLGT-MDYQIVAVQGYFSSGSASITVS 191 (191)
Q Consensus 165 l~lG~-~~~~~~~vEgy~ssG~a~vtvs 191 (191)
|+||+ ++||||+||||+|+|+|+|||+
T Consensus 314 ~~~g~~~~~~~~~~eg~~~~g~~~~~~~ 341 (394)
T 1AXK_B 314 MNLGSNWAYQVMATEGYQSSGSSNVTVW 341 (394)
T ss_dssp CCCCSEEEEEEEEEEEEEEEEEEEEEEE
T ss_pred CCCCCccceEEEEEEeccCcceEEEEEE
Confidence 99998 5799999999999999999985
No 34
>3WP5_A CDBFV; xylanase, regulatory N-terminal region, disulfide; 1.32A {Neocallimastix patriciarum}
Probab=100.00 E-value=1.2e-56 Score=380.18 Aligned_cols=185 Identities=32% Similarity=0.651 Sum_probs=163.2 Template_Neff=5.700
Q 6KWC_1 3 TIQPGTGYNNGYFYSYWNDGHGGVTYTNGPGGQFSVNWSNSGEFVGGKGWQPGTK--NKVI-NFSGSYNP-------NGN 72 (191)
Q Consensus 3 ~~~~~~G~~~Gy~y~~W~d~~g~~~~~~~~~g~f~~~W~~~~~~~~gkG~~~g~~--~~~~-~y~~~~~~-------~g~ 72 (191)
.+++..+.+++|+|++|+|+ +..++++.++|.|+|+|++.+||++||||.++.. .+.+ +|+++|.+ +|+
T Consensus 18 ~~~~~~g~~~gy~y~~W~dg-g~~~~t~~~~G~fsv~W~~~gnfv~gkGw~~g~~~~~~~~g~~~~~y~~~~~~~~~~Gn 96 (227)
T 3WP5_A 18 VTGNKVGTIGGVGYELWADS-GNNSATFYSDGSFSCTFQNAGDYLCRSGLSFDSTKTPSQIGRMKADFKLVKQNSSNVGY 96 (227)
T ss_dssp ECSSEEEEETTEEEEEEESS-SSCEEEEETTSCEEEEEEEESEEEEEEEEECCSCSCHHHHCCEEEEEEEEEEEEESCCE
T ss_pred eecCccceecceeeeeEecC-CCceEEecCCCceEEEEEcCCCEEEEEeeCCCCCCCceeeeeeEEEeeeeecCCCCCce
Confidence 34567789999999999997 4567888889999999999999999999999873 2334 56677764 589
Q 6KWC_1 73 SYLSVYGWSRNPLIEYYIVENFGTYNPSTG---ATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRNHRSSG 149 (191)
Q Consensus 73 sy~gvYGWt~nPlvEYYIvE~wg~~~P~~~---~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR~~~r~~G 149 (191)
+||+||||+++|||||||||+|+.++|+.. .+++|++++||++||||++.|. +|||+|+.+|+||||||+++|++|
T Consensus 97 sYl~vYGWt~nPlvEYYIvE~~g~~~P~~~~~~~~~~Gt~tsDG~tYdiy~~~R~-~psi~Gt~tF~QywSVR~~kr~~G 175 (227)
T 3WP5_A 97 SYVGVYGWTRSPLVAYYIVDNWLSPFPPGDWVGNKKHGSFTIDGAQYTVYENTRT-GPSIDGDTTFNQYFSIRQQARDCG 175 (227)
T ss_dssp EEEEEEEEEETTTEEEEEEEECSSSSCCCGGGCSEEEEEEEETTEEEEEEEEEEE-ECCTTSSEEEEEEEEEESSCCSEE
T ss_pred eEEEEecCCCCCceeeEEEecccCCCCCCCCCCceeeEEEEEcCcEEEEEEEEec-CCCCCCCceeEEEEEecCccCCcc
Confidence 999999999999999999999999999853 5789999999999999999997 699999999999999999999999
Q 6KWC_1 150 SVNTANHFNAWAQQGLTLGTMD-YQIVAVQGY---FSSGSASIT 189 (191)
Q Consensus 150 tI~~~~HF~aW~~~Gl~lG~~~-~~~~~vEgy---~ssG~a~vt 189 (191)
+|++++||+||+++||+||++. +++|++||| .++|+++++
T Consensus 176 tIt~~~Hf~AW~~~Gm~lG~~~~~~i~~eeg~~~~~~sg~~~~~ 219 (227)
T 3WP5_A 176 TIDISAHFDQWEKLGMTMGKLHEAKVLGEAGNVNGGASGTADFP 219 (227)
T ss_dssp EEEHHHHHHHHHHTTCCCCEEEEEEEEEEEECTTSCEEEEEEEE
T ss_pred EEEhHHHHHHHHHhCCCCCCceeEEEEEeecccCCCcceEEEec
Confidence 9999999999999999999965 557777788 477888876
No 35
>3WP4_A CDBFV; xylanase, regulatory N-terminal region, disulfide; 1.27A {Neocallimastix patriciarum}
Probab=100.00 E-value=4.2e-56 Score=376.91 Aligned_cols=184 Identities=33% Similarity=0.661 Sum_probs=162.5 Template_Neff=5.600
Q 6KWC_1 4 IQPGTGYNNGYFYSYWNDGHGGVTYTNGPGGQFSVNWSNSGEFVGGKGWQPGTK--NKVI-NFSGSYNP-------NGNS 73 (191)
Q Consensus 4 ~~~~~G~~~Gy~y~~W~d~~g~~~~~~~~~g~f~~~W~~~~~~~~gkG~~~g~~--~~~~-~y~~~~~~-------~g~s 73 (191)
+++..+.+++|+|++|.|+ +..++++.++|.|+|+|++.+||++||||.++.. .+.+ +|+++|.+ +|++
T Consensus 20 ~~~~~g~~~gy~y~~W~dg-g~~~~t~~~~G~fsv~W~~~gnfv~gkGw~~g~~~~~~~~g~~s~~y~~~~~~~~~~G~s 98 (228)
T 3WP4_A 20 TGNKVGTIGGVGYELWADS-GNNSATFYSDGSFSCTFQNAGDYLCRSGLSFDSTKTPSQIGRMKADFKLVKQNSSNVGYS 98 (228)
T ss_dssp CSSEEEEETTEEEEEEESS-SSCEEEEETTSCEEEEEEEESEEEEEEEEECCSCSCHHHHCCEEEEEEEEEEEEESCCEE
T ss_pred ecCccceecceeeeeEecC-CCceEEecCCCceEEEEEcCCCEEEEEeeCCCCCCCceeeeeeEEEeeeeecCCCCCcee
Confidence 4567789999999999997 4567787889999999999999999999999873 1333 56677764 5899
Q 6KWC_1 74 YLSVYGWSRNPLIEYYIVENFGTYNPSTG---ATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRNHRSSGS 150 (191)
Q Consensus 74 y~gvYGWt~nPlvEYYIvE~wg~~~P~~~---~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR~~~r~~Gt 150 (191)
||+||||+++|||||||||+|+.++|+.. ++++|++++||++||||++.|. +|||+|+.+|+||||||+++|.+|+
T Consensus 99 Yl~vYGWt~nPlvEYYIvE~~g~~~P~~~~~~~~~~Gt~tsDG~tYdiy~~~R~-~psi~Gt~tF~QywSVR~~kr~~Gt 177 (228)
T 3WP4_A 99 YVGVYGWTRSPLVEYYIVDNWLSPFPPGDWVGNKKHGSFTIDGAQYTVYENTRT-GPSIDGDTTFNQYFSIRQQARDCGT 177 (228)
T ss_dssp EEEEEEEEETTTEEEEEEEECSSSSCCCGGGCSEEEEEEEETTEEEEEEEEEEE-ECCTTSSEEEEEEEEEESSCCSEEE
T ss_pred EEEEecCCCCCceeeEEEecccCCCCCCCCCCceeeEEEEEcCcEEEEEEEEec-CCCCCCCCceEEEEEecCccCCccE
Confidence 99999999999999999999999999853 5789999999999999999997 6999999999999999999999999
Q 6KWC_1 151 VNTANHFNAWAQQGLTLGTMD-YQIVAVQGY---FSSGSASIT 189 (191)
Q Consensus 151 I~~~~HF~aW~~~Gl~lG~~~-~~~~~vEgy---~ssG~a~vt 189 (191)
|++++||+||+++||+||++. +++|++||| .++|+++++
T Consensus 178 It~~~Hf~AW~~~Gl~lG~~~~~~i~~~eg~~~~~~sg~~~~~ 220 (228)
T 3WP4_A 178 IDISAHFDQWEKLGMTMGKLHEAKVLGEAGNVNGGASGTADFP 220 (228)
T ss_dssp EEHHHHHHHHHHTTCCCCEEEEEEEEEEEECSSSCEEEEEEEE
T ss_pred EEhHHHHHHHHHhCCCCCCceeEEEEEeecccCCCcceEEEec
Confidence 999999999999999999965 557777888 577888876
No 36
>3WP6_A CDBFV; xylanase, regulatory N-terminal region, disulfide; HET: XYP, BXP; 1.43A {Neocallimastix patriciarum}
Probab=100.00 E-value=4.6e-56 Score=376.70 Aligned_cols=186 Identities=32% Similarity=0.642 Sum_probs=163.0 Template_Neff=5.600
Q 6KWC_1 3 TIQPGTGYNNGYFYSYWNDGHGGVTYTNGPGGQFSVNWSNSGEFVGGKGWQPGTK--NKVI-NFSGSYNP-------NGN 72 (191)
Q Consensus 3 ~~~~~~G~~~Gy~y~~W~d~~g~~~~~~~~~g~f~~~W~~~~~~~~gkG~~~g~~--~~~~-~y~~~~~~-------~g~ 72 (191)
.+++..+.+++|+|++|+|+ +..++++.++|.|+|+|++.+||++||||.++.. .+.+ +|+++|.+ +|+
T Consensus 19 ~~~~~~g~~~gy~y~~W~dg-g~~~~t~~~~G~fsv~W~~~gnfv~gkGw~~g~~~~~~~~g~~~~~y~~~~~~~~~~G~ 97 (228)
T 3WP6_A 19 VTGNKVGTIGGVGYELWADS-GNNSATFYSDGSFSCTFQNAGDYLCRSGLSFDSTKTPSQIGRMKADFKLVKQNSSNVGY 97 (228)
T ss_pred eecCccceecceeceeEecC-CCeeEEcCCCcceEEEEEcCCCEEEeeeeCCCCCceeEEEeeeEEEeccccCCCCCCcc
Confidence 34567789999999999997 4567888889999999999999999999999873 1333 55577764 589
Q 6KWC_1 73 SYLSVYGWSRNPLIEYYIVENFGTYNPSTG---ATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRNHRSSG 149 (191)
Q Consensus 73 sy~gvYGWt~nPlvEYYIvE~wg~~~P~~~---~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR~~~r~~G 149 (191)
+||+||||+++|||||||||+|+.++|+.. ++++|++++||++||||++.|. +|||+|+.+|+||||||+++|.+|
T Consensus 98 sYl~vYGWt~nPlvEYYIvE~~g~~~P~~~~~~~~~~Gt~tsDG~tYdiy~~~R~-~psi~Gt~tF~QywSVR~~kr~~G 176 (228)
T 3WP6_A 98 SYVGVYGWTRSPLVAYYIVDNWLSPFPPGDWVGNKKHGSFTIDGAQYTVYENTRT-GPSIDGDTTFNQYFSIRQQARDCG 176 (228)
T ss_pred eEEEeeeCCCCCceeEEEEecccccCCCCCCCCceeeeEEEeCCCEEEEEEEEec-CCCCCCCcceEEEEEecCCCCCcc
Confidence 999999999999999999999999999853 5789999999999999999997 699999999999999999999999
Q 6KWC_1 150 SVNTANHFNAWAQQGLTLGTMDYQ-IVAVQGY---FSSGSASITV 190 (191)
Q Consensus 150 tI~~~~HF~aW~~~Gl~lG~~~~~-~~~vEgy---~ssG~a~vtv 190 (191)
+|++++||+||+++||+||++.++ +|++||| .++|+++++.
T Consensus 177 tIt~~~Hf~AW~~~G~~lG~~~~~~i~~eeg~~~~g~sg~~~~~~ 221 (228)
T 3WP6_A 177 TIDISAHFDQWEKLGMTMGKLHEAKVLGEAGNVNGGASGTADFPY 221 (228)
T ss_pred EEEhHHHHHHHHHcCCCCCCceeEEEEEeecccCCCCcEEEEEeE
Confidence 999999999999999999996655 6667788 5788888874
No 37
>5GYC_A Endo-1,4-beta-xylanase (E.C.3.2.1.8); Endo-1, 4-beta-xylanase, GH11 xylanase, HYDROLASE; 1.4A {termite gut metagenome}
Probab=100.00 E-value=2.6e-54 Score=374.48 Aligned_cols=181 Identities=40% Similarity=0.764 Sum_probs=159.3 Template_Neff=4.900
Q 6KWC_1 10 YNNGYFYSYWNDGHGGVTY------TNGPGGQFSVNWSNSGEFVGGKG--WQPGTKN---KV----INFS--GSYNPNGN 72 (191)
Q Consensus 10 ~~~Gy~y~~W~d~~g~~~~------~~~~~g~f~~~W~~~~~~~~gkG--~~~g~~~---~~----~~y~--~~~~~~g~ 72 (191)
.+++|+|++|.|+.+++.+ ++..+|+|+|+|++.+||++||| |.++.+. +. ++|+ ++++++|+
T Consensus 40 ~~~gy~y~~W~d~~~~~~~~t~y~~~~~~gG~fsv~Wsn~gnfv~GkG~~w~~g~~~~~~~~~~~~~~y~~sg~~~~~Gn 119 (281)
T 5GYC_A 40 AGSPYGYETWIDTGGGVCSLCWYGADQGGGAAFRATWTNPHDFLGRLGYFWNENKPYSHYENIYCGFNYTRSGRKTAGDY 119 (281)
T ss_dssp TTSSCEEEEECCTTSCCEEEEECCSSSTTSCCEEEEEESCSSEEEEEEEECCSSCCGGGGCEEEEEEEEEECCTTSSCSC
T ss_pred ccCCceeeeEecCCCceeEEEEecCCCCCCcceEEEEeCCCCeEEEeccccCCCCcceeceeeeeeEEEeccceecCCCc
Confidence 7899999999997665443 56788999999999999999999 8887632 22 4564 66788999
Q 6KWC_1 73 SYLSVYGWSRNP--------LIEYYIVENFG--TYN----PS----TGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTAT 134 (191)
Q Consensus 73 sy~gvYGWt~nP--------lvEYYIvE~wg--~~~----P~----~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~ 134 (191)
+||+||||+++| ||||||||+|+ .|. |+ .+++.+|++++||++||||++.|+++|||+|+.+
T Consensus 120 sYL~vYGWT~nP~~~~~~~~LvEYYIVE~~gg~~~~p~~~P~g~~~sg~~~~GtvtsDG~tYdIy~~~R~nqPSI~Gt~T 199 (281)
T 5GYC_A 120 SYIGIYGWSRNPSASNSNERLIEYYIVEDWFGNQWQADTSPMGINTTGGTVMGSFTVDGSSYQIIRNTRVNQPSIEGDKT 199 (281)
T ss_dssp EEEEEEEEEECTTCSSGGGSEEEEEEEEECCCCSSSCTTSCCCHHHHCSEEEEEEEETTEEEEEEEEEEEEECCTTSSEE
T ss_pred eEEEEEeeeCCCCcCCCccceEEEEEEecccCCCccCCCCCCccCCCCCeEEEEEEECCcEEEEEEeeecCCCCccCCcc
Confidence 999999999999 99999999996 343 42 3457899999999999999999999999999999
Q 6KWC_1 135 FYQYWSVRRNHRSSGSVNTANHFNAWAQQGLTLGT-MDYQIVAVQGYFSSGSASITV 190 (191)
Q Consensus 135 f~Qy~SVR~~~r~~GtI~~~~HF~aW~~~Gl~lG~-~~~~~~~vEgy~ssG~a~vtv 190 (191)
|+||||||+++|.+|||++++||+||+++||+||+ +++++|+|||+.++|+++++.
T Consensus 200 F~QYwSVR~~kRt~GTItvs~HF~AW~~~Gm~lG~~~ye~~~~vE~~~~sG~~d~~~ 256 (281)
T 5GYC_A 200 FVQYFSIRQSPRKSGTISITEHFKKWEKLGMKLGDNMYECKFLIEAGAGEGFFDARL 256 (281)
T ss_dssp EEEEEEEESSCCSEEEEEHHHHHHHHHHTTCCCCSEECEEEEEEEESSSEEEEEEEE
T ss_pred eEEEEEecCCCCCccEEeHHHHHHHHHHhCCCCCCCceEEEEEeecccccceeEEeE
Confidence 99999999999999999999999999999999996 667889999999999999874
No 38
>5GYF_A Endo-1,4-beta-xylanase (E.C.3.2.1.8); Endo-1, 4-beta-xylanase, GH11 xylanase, HYDROLASE; 1.94A {termite gut metagenome}
Probab=100.00 E-value=6e-54 Score=372.01 Aligned_cols=182 Identities=39% Similarity=0.763 Sum_probs=159.8 Template_Neff=4.800
Q 6KWC_1 9 GYNNGYFYSYWNDGHGGV-TY-----TNGPGGQFSVNWSNSGEFVGGKG--WQPGTKN---K----VINFS--GSYNPNG 71 (191)
Q Consensus 9 G~~~Gy~y~~W~d~~g~~-~~-----~~~~~g~f~~~W~~~~~~~~gkG--~~~g~~~---~----~~~y~--~~~~~~g 71 (191)
...++|+|++|.|+.+++ +| ++.++|+|+|+|++.+||++||| |.++.+. + .++|+ ++++++|
T Consensus 39 ~~~~gy~y~~W~d~gg~~~~~~~~~~~~~~gG~fs~tWsn~gnfv~gkG~~w~~g~~~~~~~~~~~~~~y~~sg~~~~~G 118 (281)
T 5GYF_A 39 LAGSPYGYETWIDTGGGVCSFCWYGADQGGGAAFKATWTNPHDFLGRLGYFWNENKPYSHYENIYCGFNYTRSGRKTAGD 118 (281)
T ss_dssp CTTSSCEEEEECCTTSCCEEEEECCTTSTTSCCEEEEEESCSSEEEEEEEECCSSCCGGGGCEEEEEEEEEECCTTSSCS
T ss_pred CCcCCceeeEEecCCCceeEEEEecCCCCCCccEEEEEeCCCCEEEEeccccCCCCcceeceeeeeeEEEeecceecCCC
Confidence 378899999999976554 55 56788999999999999999999 8887531 1 14664 6788899
Q 6KWC_1 72 NSYLSVYGWSRNP--------LIEYYIVENFG--TYN----PS----TGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTA 133 (191)
Q Consensus 72 ~sy~gvYGWt~nP--------lvEYYIvE~wg--~~~----P~----~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~ 133 (191)
++||+||||+++| ||||||||+|+ .|. |+ .+++.+|++++||++||||++.|+++|||+|+.
T Consensus 119 nsYL~vYGWt~nP~~~~~~~~LvEYYIVE~~~g~~~~p~~~P~g~~~~g~~~~GtvtsDG~tYdIy~~~R~nqPSI~Gt~ 198 (281)
T 5GYF_A 119 YSYIGIYGWSRNPSASNSNERLIEYYIVEDWFGNQWQADTSPMGINTTGGTVMGSFTVDGSSYQIIKNTRVNQPSIEGDK 198 (281)
T ss_dssp CEEEEEEEEEECTTCSSGGGSEEEEEEEEECCCCSSSCTTSCCCHHHHCSEEEEEEEETTEEEEEEEEEEEEECCTTSSE
T ss_pred ceEEEEEeeeCCCCcCCCccceEEEEEEeccccCCccCCCCCCccCCCCCeEEEEEEECCcEEEEEEeeecCCCCccCCc
Confidence 9999999999999 99999999996 343 42 356789999999999999999999999999999
Q 6KWC_1 134 TFYQYWSVRRNHRSSGSVNTANHFNAWAQQGLTLGT-MDYQIVAVQGYFSSGSASITV 190 (191)
Q Consensus 134 ~f~Qy~SVR~~~r~~GtI~~~~HF~aW~~~Gl~lG~-~~~~~~~vEgy~ssG~a~vtv 190 (191)
+|+||||||+++|.+|||++++||+||+++||+||+ +++++|+|||+.++|+++++.
T Consensus 199 TF~QYwSVR~~kRt~GTItvsnHF~AW~~~Gm~lG~~~ye~~~~vEg~~~sG~~~~~~ 256 (281)
T 5GYF_A 199 TFVQYFSIRQSPRKSGTISITEHFKKWEKLGMKLGDNMYECKFLIEAGAGEGFFDARL 256 (281)
T ss_dssp EEEEEEEEESSCCSEEEEEHHHHHHHHHHTTCCCCSEECEEEEEEEESSSEEEEEEEE
T ss_pred ceEEEEEecCCCCCccEEeHHHHHHHHHHhCCCCCCCceEEEEEeecccccceeEEeE
Confidence 999999999999999999999999999999999996 668889999999999999874
No 39
>5GV1_A Endo-1,4-beta-xylanase (E.C.3.2.1.8); Endo-1, 4-beta-xylanase, GH11 xylanase, HYDROLASE; 1.5A {termite gut metagenome}
Probab=100.00 E-value=1e-53 Score=375.05 Aligned_cols=180 Identities=39% Similarity=0.763 Sum_probs=145.1 Template_Neff=4.300
Q 6KWC_1 10 YNNGYFYSYWNDGHGG-VTYT-----NGPGGQFSVNWSNSGEFVGGKG--WQPGTKN---K----VINFS--GSYNPNGN 72 (191)
Q Consensus 10 ~~~Gy~y~~W~d~~g~-~~~~-----~~~~g~f~~~W~~~~~~~~gkG--~~~g~~~---~----~~~y~--~~~~~~g~ 72 (191)
..++|+|++|.|+.++ .+|+ ++++|+|+|+|++.+||++||| |.++.+. + .++|+ ++++++|+
T Consensus 76 ~~~gy~Ye~W~d~gg~~~~~T~~~~~~g~gG~FsvtWsn~gnfv~GkG~~w~~g~~~~~~~~~~~~~~yt~sg~~~~~Gn 155 (322)
T 5GV1_A 76 AGSPYGYETWIDTGGGVCSLTWYGADQGGGAAFKATWTNPHDFLGRLGYFWNENKPYSHYENIYCGFNYTRSGRKTAGDY 155 (322)
T ss_dssp TTCSCEEEEECCTTSCCEEEEECCTTSTTSCCEEEEEESCSSEEEEEEEECCSSCCGGGGCEEEEEEEEEECCTTSSCSC
T ss_pred ccCCeEeeEEecCCCceeEEEEecCCCCCCceeEEEeeCCCCEEeeccCCCCCCCCcccceeeEEEEEeCCCceeCCCCC
Confidence 8899999999997654 3554 5678999999999999999999 8877531 1 14564 56788999
Q 6KWC_1 73 SYLSVYGWSRNP--------LIEYYIVENFGT--YN----PS----TGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTAT 134 (191)
Q Consensus 73 sy~gvYGWt~nP--------lvEYYIvE~wg~--~~----P~----~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~ 134 (191)
+||+||||+++| ||||||||+|+. |. |+ .+++.+|++++||++||||++.|+++|||+|+.+
T Consensus 156 sYL~VYGWT~nP~~~~~~~~LVEYYIVE~wgg~~~~p~~~P~g~~~sg~~~~GtvtsDG~tYdIy~~~R~nqPSI~Gt~T 235 (322)
T 5GV1_A 156 SYIGIYGWSRNPSASNSNERLIEYYIVEDWFGNQWQADTSPMGINTTGGTVMGSFTVDGSSYQIIKNTRVNQPSIEGDKT 235 (322)
T ss_dssp EEEEEEEEEECTTCSSGGGSEEEEEEEEECCCCSSSCTTSCCCHHHHCSEEEEEEEETTEEEEEEEEEEEEECCTTSSEE
T ss_pred eEEEEeeeeCCCCCCCCCCCceEEEEEeccCCCCccCCCCCCCCCCCCCeEeEEEEeCCCEEEEEEeeecCCCCcCCCce
Confidence 999999999999 999999999963 33 42 3457899999999999999999999999999999
Q 6KWC_1 135 FYQYWSVRRNHRSSGSVNTANHFNAWAQQGLTLGT-MDYQIVAVQGYFSSGSASIT 189 (191)
Q Consensus 135 f~Qy~SVR~~~r~~GtI~~~~HF~aW~~~Gl~lG~-~~~~~~~vEgy~ssG~a~vt 189 (191)
|+||||||+++|.+|||++++||+||+++||+||+ +++++|.|||+.++|+++++
T Consensus 236 F~QYwSVR~skRtsGTItvsnHF~AW~s~Gm~LG~~~Ye~~~~vEg~~~sG~~d~~ 291 (322)
T 5GV1_A 236 FVQYFSIRQSPRKSGTISITEHFKKWEKLGMKLGDNMYECKFLIEAGAGEGFFDAR 291 (322)
T ss_dssp EEEEEEEESSCCSEEEEEHHHHHHHHHHTTCCCCSEECEEEE--------------
T ss_pred eEEEEEeccCCCCcceEEhhHHHHHHHHcCCCCCCCceEEEEEEecceecceEEee
Confidence 99999999999999999999999999999999996 67888999999999999886
No 40
>3LB9_A Endo-1,4-beta-xylanase (E.C.3.2.1.8); permutation, BcX, Glycosidase, Xylan degradation; 3.0A {Bacillus circulans}
Probab=100.00 E-value=6.3e-36 Score=246.64 Aligned_cols=118 Identities=53% Similarity=1.083 Sum_probs=110.7 Template_Neff=5.800
Q 6KWC_1 10 YNNGYFYSYWNDGHGGVTYTNGPGGQFSVNWSNSGEFVGGKGWQPGTKNKVINFS-GSYNPNGNSYLSVYGWSRNPLIEY 88 (191)
Q Consensus 10 ~~~Gy~y~~W~d~~g~~~~~~~~~g~f~~~W~~~~~~~~gkG~~~g~~~~~~~y~-~~~~~~g~sy~gvYGWt~nPlvEY 88 (191)
..++++|++|+|+.+.++|++.++|.|+|+|++.+||++||||+++.+.|+|+|+ ++|.++|++||+||||+++|||||
T Consensus 64 ~~~g~~y~~w~~~~~~~~~~~~~~G~fs~~W~~~~nfv~GkGw~~g~~~r~i~ys~g~~~~~g~syl~vYGWt~nPlvEy 143 (182)
T 3LB9_A 64 GASTDYWQNWTDGGGIVNAVNGSGGNYSVNWSNTGNFVVGKGWTTGSPFRTINYNAGVWAPNGNGYLTLYGWTRSPLIEY 143 (182)
T ss_dssp CSSCCEEEEEECSSSEEEEEECSTTEEEEEEESCCSEEEEEEESSCCTTCEEEEECSEEEEEEEEEEEEEEEEETTTEEE
T ss_pred CCcccceeeeecCCceEEEecCCCCceEEEEecCCCEEEecccCCCCCcEEEEEeeeeecCCCceEEEeeeccCCCcceE
Confidence 4568999999998777889999999999999999999999999999866999999 799999999999999999999999
Q 6KWC_1 89 YIVENFGTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSI 129 (191)
Q Consensus 89 YIvE~wg~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi 129 (191)
||||+|+.++|+ ...+|++++||++||||++.|+|+|||
T Consensus 144 YIve~~g~~~P~--~~~~Gt~tsDG~tY~iy~~~R~n~psi 182 (182)
T 3LB9_A 144 YVVDSWGTYRPT--GTYKGTVKSDGGTYDIYTTTRYNAPSI 182 (182)
T ss_dssp EEEEEESSCCCC--CEEEEEEEETTEEEEEEEEEEESCCCC
T ss_pred EEEeecceeCCC--CcEEEEEEeCCcEEEEEEEEEeCCCCC
Confidence 999999999998 357999999999999999999999987
No 41
>3LB9_A Endo-1,4-beta-xylanase (E.C.3.2.1.8); permutation, BcX, Glycosidase, Xylan degradation; 3.0A {Bacillus circulans}
Probab=99.63 E-value=8.5e-20 Score=151.31 Aligned_cols=59 Identities=49% Similarity=0.915 Sum_probs=55.3 Template_Neff=5.800
Q 6KWC_1 133 ATFYQYWSVRRNHRS---SGSVNTANHFNAWAQQGLTLGT-MDYQIVAVQGYFSSGSASITVS 191 (191)
Q Consensus 133 ~~f~Qy~SVR~~~r~---~GtI~~~~HF~aW~~~Gl~lG~-~~~~~~~vEgy~ssG~a~vtvs 191 (191)
++|+||||||+++|. +|||++++||+||+++||+||+ ++||||+||||+|+|+|+|||+
T Consensus 1 ~tF~QywSvR~~~r~~g~~gti~~~~Hf~aW~~~G~~~g~~~~yqi~a~Eg~~ssGsa~itv~ 63 (182)
T 3LB9_A 1 ATFTQYWSVRQSKRPTGSNATITFTNHVNAWKSHGMNLGSNWAYQVMATEGYQSSGSSNVTVW 63 (182)
T ss_dssp CEEEEEEEEESSCCCCSSEEEEEHHHHHHHHHTTTCCCCSEEEEEEEEEEEEEEEEEEEEEBC
T ss_pred CCcceEEEeccCCCCCCCCcEEEhhHHHHHHHHcCCccCCccceEEEEEEccCccceEeeEEc
Confidence 379999999999996 5799999999999999999998 5799999999999999999985
No 42
>1H8V_F ENDO-BETA-1,4-GLUCANASE (E.C.3.2.1.4); HYDROLASE, CELLULASE, CELLULOSE DEGRADATION, GH; HET: NAG, PCA; 1.9A {TRICHODERMA REESEI} SCOP: b.29.1.11
Probab=65.83 E-value=4.6 Score=34.84 Aligned_cols=93 Identities=18% Similarity=0.229 Sum_probs=57.2 Template_Neff=8.000
Q 6KWC_1 84 PLIEYYIVENF-GTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVR-RNHRSSGSVNTANHFNAWA 161 (191)
Q Consensus 84 PlvEYYIvE~w-g~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR-~~~r~~GtI~~~~HF~aW~ 161 (191)
+..|--|--.+ +...|.. .+.++++++|.+|+||+.... + . ++++.+ +.+..+.++++.+.|+.-.
T Consensus 113 ~~~EIMIWl~~~g~~~P~G--~~~~~v~i~g~~w~vy~g~~~------~---~-~v~sfv~~~~~~~~~~Dl~~fl~~l~ 180 (218)
T 1H8V_F 113 GDYELMIWLGKYGDIGPIG--SSQGTVNVGGQSWTLYYGYNG------A---M-QVYSFVAQTNTTNYSGDVKNFFNYLR 180 (218)
T ss_dssp CSEEEEEEEEEESSCCCSS--EEEEEEEETTEEEEEEEEEET------T---E-EEEEEEESSCCSEEEEEHHHHHHHHH
T ss_pred ccEEEEEEecccCCcccce--eceeeEEECCEEEEEEEEecC------C---e-EEEEEEeCCCCcEEEEecHHHHHHHH
Confidence 44554444433 3444532 346789999999999976531 1 1 244444 3344678999999999555
Q 6KWC_1 162 QQ-GLTLGT--MDYQIVAVQGYFSSGSASI 188 (191)
Q Consensus 162 ~~-Gl~lG~--~~~~~~~vEgy~ssG~a~v 188 (191)
+. |+...+ +..+-+.+|-+.+.|+..+
T Consensus 181 ~~~~~~~~~~yl~~ve~GtE~~~g~g~~~~ 210 (218)
T 1H8V_F 181 DNKGYNAAGQYVLSYQFGTEPFTGSGTLNV 210 (218)
T ss_dssp HHSCCCTTTCEECCCEEEECEEEEEEEEEE
T ss_pred HcCCCCCcccEEEEEEEEeeeEEecceEEE
Confidence 44 454344 3345578888888875443
No 43
>1OA4_A ENDO-BETA-1,4-GLUCANASE (E.C.3.2.1.4); HYDROLASE, CELLULASE, CELLULOSE DEGRADATION, ENDOGLUCANASE; 1.5A {STREPTOMYCES SP. 11AG8} SCOP: b.29.1.11
Probab=63.69 E-value=5.4 Score=34.57 Aligned_cols=91 Identities=14% Similarity=0.160 Sum_probs=56.6 Template_Neff=7.900
Q 6KWC_1 85 LIEYYIVENF-GTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVR-RNHRSSGSVNTANHFNAWAQ 162 (191)
Q Consensus 85 lvEYYIvE~w-g~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR-~~~r~~GtI~~~~HF~aW~~ 162 (191)
..|--|-=.+ +...|. +.+.+++++.|.+|+||+.... .. .++|.+ +.+..+.++++...|+.=.+
T Consensus 118 ~~EIMIWl~~~g~~~P~--G~~~~~v~i~g~~w~vy~g~~~-------~~---~v~sfv~~~~~~~~~~Dl~~fl~~l~~ 185 (222)
T 1OA4_A 118 RTEIMIWFNRVGPVQPI--GSPVGTAHVGGRSWEVWTGSNG-------SN---DVISFLAPSAISSWSFDVKDFVDQAVS 185 (222)
T ss_dssp SEEEEEEEEEESSCCCS--SEEEEEEEETTEEEEEEEEECS-------SS---EEEEEECSSCCSEEEEEHHHHHHHHHH
T ss_pred cEEEEEEeeccCCCCcc--eEeeEEEEECCEEEEEEeeecC-------Ce---EEEEEEcCCCCcEEEEehHHHHHHHHH
Confidence 4454443333 344453 2346789999999999976431 11 234443 34456789999999997666
Q 6KWC_1 163 QGLTLGT--MDYQIVAVQGYFSSGSAS 187 (191)
Q Consensus 163 ~Gl~lG~--~~~~~~~vEgy~ssG~a~ 187 (191)
.+....+ |..+-+.+|-+.+.|...
T Consensus 186 ~~~~~~~~yL~~v~~G~E~~~g~~~~~ 212 (222)
T 1OA4_A 186 HGLATPDWYLTSIQAGFEPWEGGTGLA 212 (222)
T ss_dssp TTSCCTTSEEEEEEEEEEEEECCTTCE
T ss_pred CCCCCcccEEEEEEEEeceEEccCceE
Confidence 6654444 334457888888877443
No 44
>1OA3_C ENDO-BETA-1-4-GLUCANASE (E.C.3.2.1.4); HYDROLASE, CELLULASE, CELLULOSE DEGRADATION, ENDOGLUCANASE; HET: PCA, NAG; 1.7A {HYPOCREA SCHWEINITZII} SCOP: b.29.1.11
Probab=58.30 E-value=7.9 Score=33.40 Aligned_cols=93 Identities=19% Similarity=0.223 Sum_probs=58.4 Template_Neff=8.100
Q 6KWC_1 84 PLIEYYIVENF-GTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVR-RNHRSSGSVNTANHFNAWA 161 (191)
Q Consensus 84 PlvEYYIvE~w-g~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR-~~~r~~GtI~~~~HF~aW~ 161 (191)
+..|--|--.+ +...|. +.+.++++++|.+|+||+.... + .++++.+ +.+..++++++...|+.-.
T Consensus 113 ~~~EIMIWl~~~g~~~P~--G~~~~~v~i~G~~w~vy~g~~~------~----~~v~sfv~~~~~~~~~~Dl~~fl~~l~ 180 (218)
T 1OA3_C 113 GDYELMIWLGKYGDIGPI--GSSQGTVNVGGQTWTLYYGYNG------A----MQVYSFVAQSNTTSYSGDVKNFFNYLR 180 (218)
T ss_dssp CSEEEEEEEEEESSCCCS--SEEEEEEEETTEEEEEEEEEET------T----EEEEEEEESSCCSEEEEETHHHHHHHH
T ss_pred ccEEEEEEecccCCcccc--eeceeeEEECCEEEEEEEEecC------C----eEEEEEEecCCccEEEEecHHHHHHHH
Confidence 44554444433 334453 2346789999999999976531 1 1244444 3345678999999998665
Q 6KWC_1 162 QQG-LTLGTM--DYQIVAVQGYFSSGSASI 188 (191)
Q Consensus 162 ~~G-l~lG~~--~~~~~~vEgy~ssG~a~v 188 (191)
+.+ +..+++ ..+-+.+|-+.+.|+..+
T Consensus 181 ~~~~~~~~~~yl~~ve~G~E~~~g~g~~~~ 210 (218)
T 1OA3_C 181 DNKGYNAGGQYVLSYQFGTEPFTGSGTLNV 210 (218)
T ss_dssp HHSCCCTTTCEECCCEEEECEEEEEEEEEE
T ss_pred HcCCCCCCCcEEEEEEEEeeeEEecceEEE
Confidence 554 644443 344578888888885544
No 45
>1KS5_A Aspergillus niger Endoglucanase; Aspergillus niger, Endoglucanase, Cellulase, Jelly-roll; 2.1A {Aspergillus niger} SCOP: b.29.1.11
Probab=55.42 E-value=9.5 Score=33.03 Aligned_cols=93 Identities=13% Similarity=0.147 Sum_probs=49.6 Template_Neff=8.100
Q 6KWC_1 84 PLIEYYIVENF-GTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSV-RRNHRSSGSVNTANHFNAWA 161 (191)
Q Consensus 84 PlvEYYIvE~w-g~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SV-R~~~r~~GtI~~~~HF~aW~ 161 (191)
+..|--|--.+ +...|. +...++++++|.+|+||+..+...+ . .. .+++. ++.+..++++++...|+.-.
T Consensus 113 ~~~EiMIWl~~~g~~~P~--G~~~~~v~i~G~~w~vy~g~~~~~~--~---~~-~v~sfv~~~~~~~~~~Dl~~fl~~l~ 184 (223)
T 1KS5_A 113 GDYELMIWLARYGNIQPI--GKQIATATVGGKSWEVWYGSTTQAG--A---EQ-RTYSFVSESPINSYSGDINAFFSYLT 184 (223)
T ss_dssp CSEEEEEEEEEETTCCCS--SEEEEEEEETTEE---------ETT--E---EE-EEEEEECSSCCSEEEEETHHHHHHHH
T ss_pred ccEEEEEEhhhcCCccCc--eecceeEEECCEEEEEEEeecCCCC--C---ce-EEEEEeeCCCCcEEEEecHHHHHHHH
Confidence 45565554444 344453 2347789999999999987653210 1 11 12333 34455678999999999655
Q 6KWC_1 162 QQ-GLTLGTM--DYQIVAVQGYFSSG 184 (191)
Q Consensus 162 ~~-Gl~lG~~--~~~~~~vEgy~ssG 184 (191)
+. |+.-.++ ..+-+.+|-+.+.|
T Consensus 185 ~~~~~~~~~~yl~~ve~G~E~~~G~~ 210 (223)
T 1KS5_A 185 QNQGFPASSQYLINLQFGTEAFTGGP 210 (223)
T ss_dssp HHSCCCGGGCEEEEEEEEEEEEEEEE
T ss_pred HcCCCCCcccEEeEEEEEEeeEEecC
Confidence 54 3543443 34557888887776
No 46
>1KS4_A Aspergillus niger Endoglucanase; Endoglucanase, Cellulase, Aspergillus niger, family; 2.5A {Aspergillus niger} SCOP: b.29.1.11
Probab=53.83 E-value=10 Score=32.77 Aligned_cols=93 Identities=13% Similarity=0.135 Sum_probs=56.0 Template_Neff=8.100
Q 6KWC_1 84 PLIEYYIVENF-GTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWS-VRRNHRSSGSVNTANHFNAWA 161 (191)
Q Consensus 84 PlvEYYIvE~w-g~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~S-VR~~~r~~GtI~~~~HF~aW~ 161 (191)
+..|--|--.+ +...|. +...++++++|.+|+||+...... ..+ .+ ++| |++.+..++++++...|+.-.
T Consensus 113 ~~~EIMIWl~~~g~~~P~--G~~~~~v~i~G~~w~vy~g~~~~~--~~~-~~---v~sfv~~~~~~~~~~Dl~~fl~~l~ 184 (223)
T 1KS4_A 113 GDYELMIWLARYGNIQPI--GKQIATATVGGKSWEVWYGSTTQA--GAE-QR---TYSFVSESPINSYSGDINAFFSYLT 184 (223)
T ss_dssp SSEEEEEEEEEETTCCCS--SEEEEEEEETTEEEEEEEEEEEET--TEE-EE---EEEEECSSCCSEEEEETHHHHHHHH
T ss_pred ccEEEEEEhhhcCCcccc--eeEeEEEEECCEEEEEEEEecCCC--CCe-EE---EEEEEeCCCCcEEEEehHHHHHHHH
Confidence 45565554444 344454 234778999999999998754311 011 11 233 334455678999999999555
Q 6KWC_1 162 QQG-LTLGT--MDYQIVAVQGYFSSG 184 (191)
Q Consensus 162 ~~G-l~lG~--~~~~~~~vEgy~ssG 184 (191)
+.+ +.-.+ +..+-+.+|-+.+.|
T Consensus 185 ~~~~~~~~~~yl~~ve~G~E~~~G~~ 210 (223)
T 1KS4_A 185 QNQGFPASSQYLINLQFGTEAFTGGP 210 (223)
T ss_dssp HHSCCCGGGCEEEEEEEEEEEEEEEE
T ss_pred HcCCCCCcccEEEEEEEEEeeEEecC
Confidence 543 44344 334557888887766
No 47
>5GM5_C Endoglucanase-1 (E.C.3.2.1.4); substrate binding, HYDROLASE-INHIBITOR complex; HET: CBI, EPE, SO4; 1.73A {Aspergillus aculeatus}
Probab=52.30 E-value=12 Score=32.45 Aligned_cols=93 Identities=14% Similarity=0.178 Sum_probs=56.6 Template_Neff=8.100
Q 6KWC_1 84 PLIEYYIVENF-GTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVR-RNHRSSGSVNTANHFNAWA 161 (191)
Q Consensus 84 PlvEYYIvE~w-g~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR-~~~r~~GtI~~~~HF~aW~ 161 (191)
+..|--|--.+ +...|. +.+.++++++|.+|+||+....+ . .++|.+ +.+..++++++.+-|+.-.
T Consensus 114 ~~~EIMIWl~~~g~~~P~--G~~~~t~~i~G~~w~vy~g~~~~-------~---~v~sfv~~~~~~~~~~Dl~~fl~~l~ 181 (220)
T 5GM5_C 114 GDYELMIWLARYGGVQPI--GSQIATATVDGQTWELWYGANGS-------Q---KTYSFVAPTPITSFQGDVNDFFKYLT 181 (220)
T ss_dssp CSEEEEEEEEEETTCCCS--SEEEEEEEETTEEEEEEEEECSS-------C---EEEEEECSSCCSEEEEETHHHHHHHH
T ss_pred ceEEEEEEhhhcCCcccc--eeeeEEEEECCEEEEEEEeecCC-------e---EEEEEecCCCCceEEEehHHHHHHHH
Confidence 44554444433 344453 24477899999999999875321 1 233433 3445678999999998544
Q 6KWC_1 162 QQ-GLTLGT--MDYQIVAVQGYFSSG-SASI 188 (191)
Q Consensus 162 ~~-Gl~lG~--~~~~~~~vEgy~ssG-~a~v 188 (191)
+. |+.-.+ |..+-+.+|-+.+.| ...+
T Consensus 182 ~~~~~~~~~~yl~~v~~G~E~~~G~~~~~~~ 212 (220)
T 5GM5_C 182 QNHGFPASSQYLITLQFGTAPFTGGPATLSV 212 (220)
T ss_dssp HHHCCCGGGCEEEEEEEEEEEEEEEEEEEEE
T ss_pred HcCCCCCcccEEEEEEEEEceEEecCcEEEE
Confidence 44 454344 334457888888876 4433
No 48
>1OLR_A ENDO-BETA-1,4-GLUCANASE (E.C.3.2.1.4); HYDROLASE, CELLULASE, CELLULOSE DEGRADATION, ENDOGLUCANASE; 1.2A {HUMICOLA GRISEA} SCOP: b.29.1.11
Probab=49.03 E-value=14 Score=32.02 Aligned_cols=89 Identities=16% Similarity=0.119 Sum_probs=55.8 Template_Neff=8.100
Q 6KWC_1 84 PLIEYYIVENF-GTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRR-N-HRSSGSVNTANHFNAW 160 (191)
Q Consensus 84 PlvEYYIvE~w-g~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR~-~-~r~~GtI~~~~HF~aW 160 (191)
+..|--|--.+ +...|. + .+.++++++|.+|+||+.... + ..+++.+. . +..++++++...|+.-
T Consensus 117 ~~~EIMIWl~~~g~~~P~-G-~~~~~v~i~G~~w~vy~g~~~------~----w~v~sfv~~~~~~~~~~~Dl~~fl~~l 184 (224)
T 1OLR_A 117 GDYELMIWLARYGGIYPI-G-TFHSQVNLAGRTWDLWTGYNG------N----MRVYSFLPPSGDIRDFSCDIKDFFNYL 184 (224)
T ss_dssp CSEEEEEEEEEETTCCCS-S-EEEEEEEETTEEEEEEEEEET------T----EEEEEEECSSSCCSEEEEEHHHHHHHH
T ss_pred ccEEEEEEhhhcCCccCc-c-eeeeeEEECCEEEEEEEeecC------C----eEEEEEcCCCCCccEEEEecHHHHHHH
Confidence 44554444433 344553 2 346789999999999986531 1 13344443 3 4567899999999966
Q 6KWC_1 161 AQQG-LTLGTM--DYQIVAVQGYFSSG 184 (191)
Q Consensus 161 ~~~G-l~lG~~--~~~~~~vEgy~ssG 184 (191)
.+.+ +..+++ ..+-+.+|-+.+.|
T Consensus 185 ~~~~~~~~~~~yl~~v~~G~E~~~g~~ 211 (224)
T 1OLR_A 185 ERNHGYPAREQNLIVYQVGTECFTGGP 211 (224)
T ss_dssp HHHHCCCTTTCEEEEEEEECCEEEEEE
T ss_pred HHhcCCCCccceEeEEEEEEeeEEecC
Confidence 6664 654443 34457888887765
No 49
>1UU5_A ENDO-BETA-1,4-GLUCANASE (E.C.3.2.1.4); HYDROLASE, CELLULASE, CELLULOSE DEGRADATION, ENDOGLUCANASE; HET: BGC; 1.67A {HUMICOLA GRISEA} SCOP: b.29.1.11
Probab=49.03 E-value=14 Score=32.02 Aligned_cols=89 Identities=16% Similarity=0.119 Sum_probs=55.8 Template_Neff=8.100
Q 6KWC_1 84 PLIEYYIVENF-GTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRR-N-HRSSGSVNTANHFNAW 160 (191)
Q Consensus 84 PlvEYYIvE~w-g~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR~-~-~r~~GtI~~~~HF~aW 160 (191)
+..|--|--.+ +...|. + .+.++++++|.+|+||+.... + ..+++.+. . +..++++++...|+.-
T Consensus 117 ~~~EIMIWl~~~g~~~P~-G-~~~~~v~i~G~~w~vy~g~~~------~----w~v~sfv~~~~~~~~~~~Dl~~fl~~l 184 (224)
T 1UU5_A 117 GDYELMIWLARYGGIYPI-G-TFHSQVNLAGRTWDLWTGYNG------N----MRVYSFLPPSGDIRDFSCDIKDFFNYL 184 (224)
T ss_dssp CSEEEEEEEEEETTCCCS-S-EEEEEEEETTEEEEEEEEEET------T----EEEEEEECSSSCCSEEEEEHHHHHHHH
T ss_pred ccEEEEEEhhhcCCccCc-c-eeeeeEEECCEEEEEEEeecC------C----eEEEEEcCCCCCccEEEEecHHHHHHH
Confidence 44554444433 344553 2 346789999999999986531 1 13344443 3 4567899999999966
Q 6KWC_1 161 AQQG-LTLGTM--DYQIVAVQGYFSSG 184 (191)
Q Consensus 161 ~~~G-l~lG~~--~~~~~~vEgy~ssG 184 (191)
.+.+ +..+++ ..+-+.+|-+.+.|
T Consensus 185 ~~~~~~~~~~~yl~~v~~G~E~~~g~~ 211 (224)
T 1UU5_A 185 ERNHGYPAREQNLIVYQVGTECFTGGP 211 (224)
T ss_dssp HHHHCCCTTTCEEEEEEEECCEEEEEE
T ss_pred HHhcCCCCccceEeEEEEEEeeEEecC
Confidence 6664 654443 34457888887765
No 50
>1OA2_D ENDO-BETA-1,4-GLUCANASE (E.C.3.2.1.4); HYDROLASE, CELLULASE, CELLULOSE DEGRADATION, ENDOGLUCANASE; HET: NAG, PCA; 1.5A {TRICHODERMA REESEI} SCOP: b.29.1.11
Probab=47.58 E-value=15 Score=31.70 Aligned_cols=93 Identities=18% Similarity=0.235 Sum_probs=56.9 Template_Neff=8.000
Q 6KWC_1 84 PLIEYYIVENF-GTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVR-RNHRSSGSVNTANHFNAWA 161 (191)
Q Consensus 84 PlvEYYIvE~w-g~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR-~~~r~~GtI~~~~HF~aW~ 161 (191)
+..|--|-=.+ +...|. +.+.++++++|.+|+||+.... + . +++|.+ +....+.++++.+-|+.-.
T Consensus 113 ~~~EIMIWl~~~G~~~P~--G~~~~~v~i~g~~w~vy~g~~~------~---~-~v~sfv~~~~~~~~~~Dl~~fl~~l~ 180 (218)
T 1OA2_D 113 GDYELMIWLGKYGDIGPI--GSSQGTVNVGGQSWTLYYGYNG------A---M-QVYSFVAQTNTTNYSGDVKNFFNYLR 180 (218)
T ss_dssp CSEEEEEEEEEESSCCCS--SEEEEEEEETTEEEEEEEEEEB------T---E-EEEEEEESSCCSEEEEETHHHHHHHH
T ss_pred ccEEEEEEecccCCcccc--eeceeeEEECCEEEEEEEEecC------C---e-EEEEEEeCCCCcEEEEecHHHHHHHH
Confidence 44554444443 344453 2346789999999999976431 1 1 244444 3344578999999998555
Q 6KWC_1 162 QQ-GLTLGT--MDYQIVAVQGYFSSGSASI 188 (191)
Q Consensus 162 ~~-Gl~lG~--~~~~~~~vEgy~ssG~a~v 188 (191)
+. |+.-.+ +..+-+.+|-+.+.|+..+
T Consensus 181 ~~~~~~~~~~yl~~ve~G~E~~~g~g~~~~ 210 (218)
T 1OA2_D 181 DNKGYNAAGQYVLSYQFGTEPFTGSGTLNV 210 (218)
T ss_dssp HHHCCCTTTCEECCCEEEECEEEEEEEEEE
T ss_pred HcCCCCCcccEEEEEEEEeeeEEecceEEE
Confidence 44 453333 3445578888888875443
No 51
>5M2D_A Beta-xylanase (E.C.3.2.1.8); Endoglucanase-like protein, ALPHA/BETA BARREL, HYDROLASE; HET: GOL; 2.097A {Acremonium chrysogenum ATCC 11550}
Probab=46.13 E-value=17 Score=31.95 Aligned_cols=89 Identities=11% Similarity=0.137 Sum_probs=55.6 Template_Neff=7.800
Q 6KWC_1 84 PLIEYYIVENF-GTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVR-RNHRSSGSVNTANHFNA-W 160 (191)
Q Consensus 84 PlvEYYIvE~w-g~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR-~~~r~~GtI~~~~HF~a-W 160 (191)
+..|--|-=.+ +...|. +.+.++++++|.+|+||+.... + ..++|.+ +.+..+.++++...|+. .
T Consensus 129 ~~~EIMIWl~~~g~~~P~--G~~~~~v~i~G~~w~vy~g~~~------~----~~v~sfv~~~~~~~~~~Dl~~fl~~l~ 196 (235)
T 5M2D_A 129 GDYELMIWLGRLGDVYPI--GSSVGFVNVGGQQWELFDGYNG------N----MHVFSFVAPQQINNFNTDVKTFFDYLT 196 (235)
T ss_dssp CSEEEEEEEEEESSCCCS--SEEEEEEEETTEEEEEEEEEET------T----EEEEEEECSSCCSEEEEETHHHHHHHH
T ss_pred ccEEEEEEecccCCcccc--eeeeeEEEECCEEEEEEEeecC------C----eEEEEEecCCCCcEEEEecHHHHHHHH
Confidence 44555444433 334453 2346789999999999986421 1 1234443 34456789999999985 3
Q 6KWC_1 161 AQQGLTLGT--MDYQIVAVQGYFSSG 184 (191)
Q Consensus 161 ~~~Gl~lG~--~~~~~~~vEgy~ssG 184 (191)
++.|+...+ +..+-+.+|-+.++|
T Consensus 197 ~~~g~~~~~~yL~~ve~GtE~~~G~~ 222 (235)
T 5M2D_A 197 WNRGFPADQQHLLILQFGTEPFTGGP 222 (235)
T ss_dssp HHSCCCTTTCEEEEEEEEEEEEEEEE
T ss_pred HccCCCCcCcEEEEEEEEEeeEeecC
Confidence 467775454 334557888887665
No 52
>2NLR_A ENDOGLUCANASE (E.C.3.2.1.4); HYDROLASE (ENDOGLUCANASE), GLYCOSYL HYDROLASE, FAMILY; HET: G2F, SHG, BGC; 1.2A {Streptomyces lividans} SCOP: b.29.1.11
Probab=44.06 E-value=19 Score=31.69 Aligned_cols=92 Identities=14% Similarity=0.178 Sum_probs=55.3 Template_Neff=7.600
Q 6KWC_1 85 LIEYYIVENF-GTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVR-RNHRSSGSVNTANHFNAWAQ 162 (191)
Q Consensus 85 lvEYYIvE~w-g~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR-~~~r~~GtI~~~~HF~aW~~ 162 (191)
..|--|--.+ +...|. +.+.+++++.|.+++||+..... . .++|.+ +.+..+.+++|..-|+.-.+
T Consensus 118 ~~EIMIWl~~~g~~~P~--G~~~~~~~i~g~~w~vy~g~~~~-------~---~v~sfv~~~~~~~~~~Dl~~fl~~l~~ 185 (234)
T 2NLR_A 118 QTEIMIWFNRVGPIQPI--GSPVGTASVGGRTWEVWSGGNGS-------N---DVLSFVAPSAISGWSFDVMDFVRATVA 185 (234)
T ss_dssp SEEEEEEEEEESSCCCS--SEEEEEEEETTEEEEEEEEECSS-------S---EEEEEECSSCCCEEEEEHHHHHHHHHH
T ss_pred cEEEEEEeeccCCccCc--eEeceeEEECCEEEEEEEecCCC-------e---EEEEEEcCCCCCEEEEehHHHHHHHHH
Confidence 4454443333 233443 23467899999999999865311 1 233333 34556789999888886555
Q 6KWC_1 163 QGLTLGTM--DYQIVAVQGYFSSGSASI 188 (191)
Q Consensus 163 ~Gl~lG~~--~~~~~~vEgy~ssG~a~v 188 (191)
.+.-..++ ..+-+-+|-+.++|+..+
T Consensus 186 ~~~~~~~~Yl~~v~~G~E~~~g~g~~~~ 213 (234)
T 2NLR_A 186 RGLAENDWYLTSVQAGFEPWQNGAGLAV 213 (234)
T ss_dssp TTSSCTTSEEEEEEEEEEEEECCTTCEE
T ss_pred CCCCccccEEEEEEEEEeeEEeCCeEEE
Confidence 55433333 344578888887775443
No 53
>2JEN_A ENDO-BETA-1,4-GLUCANASE (E.C.3.2.1.4, 3.2.1.151); PLANT CELL WALL, GLYCOSIDASE, XYLOGLUCANASE; HET: DIO, XYS, BGC, GLC, SO4; 1.4A {BACILLUS LICHENIFORMIS}
Probab=41.81 E-value=22 Score=31.87 Aligned_cols=98 Identities=15% Similarity=0.125 Sum_probs=56.2 Template_Neff=7.600
Q 6KWC_1 84 PLIEYYIVENFGTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVR-RNHRSSGSVNTANHFNAWAQ 162 (191)
Q Consensus 84 PlvEYYIvE~wg~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR-~~~r~~GtI~~~~HF~aW~~ 162 (191)
+..|--|-=.+....|. +...+++++.|.+|+||+..+.+. .. .. ..++|.+ +....++++++.+-|+.-.+
T Consensus 152 ~~~EIMIWL~~~g~~P~--G~~~~~v~i~g~~w~vy~g~~~~~--~~--~~-w~v~sfv~~~~~~~~~~Dl~~fl~~l~~ 224 (261)
T 2JEN_A 152 PTDAIMIWLNNTNAGPA--GSYVETVSIGGHSWKVYKGYIDAG--GG--KG-WNVFSFIRTANTQSANLNIRDFTNYLAD 224 (261)
T ss_dssp CSEEEEEEEEEESCCCS--SEEEEEEEETTEEEEEEEEEEEEE--TT--EE-EEEEEEEESSCCSEEEEEHHHHHHCCCC
T ss_pred CCeEEEEEeeccCCCCC--ceeeeEEEECCEEEEEEEeeecCC--CC--Cc-eEEEEEEeCCCCCEEEEEhHHHHHHHHH
Confidence 44555554444333443 234678999999999998754211 00 11 1234443 33345788999888886555
Q 6KWC_1 163 QG-LTLGTM--DYQIVAVQGYFSSGSASI 188 (191)
Q Consensus 163 ~G-l~lG~~--~~~~~~vEgy~ssG~a~v 188 (191)
.+ .-.+++ ..+-+.+|-+.++|+..+
T Consensus 225 ~~~~~~~~~YL~~ie~G~E~~~G~g~~~~ 253 (261)
T 2JEN_A 225 SKQWLSKTKYVSSVEFGTEVFGGTGQINI 253 (261)
T ss_dssp CTCCSCTTSEEEEEEEECCEEEEEEEEEE
T ss_pred cCCCCCcCcEEEEEEEEEeEEEecCeEEE
Confidence 44 222333 344578888888775443
No 54
>5GM4_E Endoglucanase-1 (E.C.3.2.1.4); substrate binding, HYDROLASE-INHIBITOR complex; HET: SO4, CTT; 1.92A {Aspergillus aculeatus}
Probab=40.67 E-value=23 Score=30.60 Aligned_cols=93 Identities=14% Similarity=0.178 Sum_probs=56.6 Template_Neff=8.100
Q 6KWC_1 84 PLIEYYIVENF-GTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVR-RNHRSSGSVNTANHFNAWA 161 (191)
Q Consensus 84 PlvEYYIvE~w-g~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR-~~~r~~GtI~~~~HF~aW~ 161 (191)
+..|--|--.+ +...|. +.+.+++++.|.+|+||+....+ . .+++.+ +.+..++++++..-|+.-.
T Consensus 113 ~~~EIMIWl~~~g~~~P~--G~~~~~~~i~G~~w~vy~g~~~~-------~---~v~sfv~~~~~~~~~~Dl~~~l~~l~ 180 (219)
T 5GM4_E 113 GDYELMIWLARYGGVQPI--GSQIATATVDGQTWELWYGANGS-------Q---KTYSFVAPTPITSFQGDVNDFFKYLT 180 (219)
T ss_dssp CSEEEEEEEEEETTCCCS--SEEEEEEEETTEEEEEEEEECSS-------C---EEEEEECSSCCSEEEEETHHHHHHHH
T ss_pred ceEEEEEEhhhcCCcccc--eeeeEEEEECCEEEEEEEeecCC-------e---EEEEEecCCCCcEEEEehHHHHHHHH
Confidence 44554444433 344453 23477899999999999875321 1 233333 3445678999999998544
Q 6KWC_1 162 QQ-GLTLGT--MDYQIVAVQGYFSSG-SASI 188 (191)
Q Consensus 162 ~~-Gl~lG~--~~~~~~~vEgy~ssG-~a~v 188 (191)
+. |+.-.+ |..+-+.+|-+.+.| ...+
T Consensus 181 ~~~~~~~~~~yl~~v~~G~E~~~G~~~~~~~ 211 (219)
T 5GM4_E 181 QNHGFPASSQYLITLQFGTAPFTGGPATLSV 211 (219)
T ss_dssp HHSCCCGGGCEEEEEEEEEEEEEEEEEEEEE
T ss_pred HcCCCCCcccEEEEEEEEEeeEEecCcEEEE
Confidence 44 354344 334457888888776 4443
No 55
>5GM3_A Endoglucanase-1 (E.C.3.2.1.4); substrate binding, HYDROLASE-INHIBITOR complex; HET: CAC; 1.59A {Aspergillus aculeatus}
Probab=40.04 E-value=24 Score=30.45 Aligned_cols=89 Identities=13% Similarity=0.156 Sum_probs=54.4 Template_Neff=8.200
Q 6KWC_1 84 PLIEYYIVENF-GTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVR-RNHRSSGSVNTANHFNAWA 161 (191)
Q Consensus 84 PlvEYYIvE~w-g~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR-~~~r~~GtI~~~~HF~aW~ 161 (191)
+..|--|--.+ +...|. +.+.++++++|.+|+||+.... + . .+++.+ +.+..++++++.+-|+.-.
T Consensus 113 ~~~EIMIWl~~~g~~~P~--G~~~~~~~i~G~~w~vy~~~~~------~-~---~v~sfv~~~~~~~~~~Dl~~~l~~l~ 180 (219)
T 5GM3_A 113 GDYELMIWLARYGGVQPI--GSQIATATVDGQTWELWYGANG------S-Q---KTYSFVAPTPITSFQGDVNDFFKYLT 180 (219)
T ss_dssp CSEEEEEEEEEETTCCCS--SEEEEEEEETTEEEEEEEEEET------T-E---EEEEEECSSCCSEEEEETHHHHHHHH
T ss_pred ceEEEEEEhhhcCCcccc--eeeeEEEEECCEEEEEEEeecC------C-e---EEEEEecCCCCcEEEEehHHHHHHHH
Confidence 44554444443 344453 2347789999999999987532 1 1 133433 3344678999999998544
Q 6KWC_1 162 QQ-GLTLGTM--DYQIVAVQGYFSSG 184 (191)
Q Consensus 162 ~~-Gl~lG~~--~~~~~~vEgy~ssG 184 (191)
+. ++...++ ..+-+.+|-+.+.|
T Consensus 181 ~~~~~~~~~~yL~~ve~G~E~~~G~~ 206 (219)
T 5GM3_A 181 QNHGFPASSQYLITLQFGTEPFTGGP 206 (219)
T ss_dssp HHHCCCGGGCEEEEEEEEEEEEEEEE
T ss_pred HccCCCCcccEEEEEEEEEeeEEecC
Confidence 44 4543443 34457888887765
No 56
>2BW8_A ENDOGLUCANASE (E.C.3.2.1.4); HYDROLASE, ENDOGLUCANASE, CELLULASE, GLYCOSIDE HYDROLASE; 1.54A {RHODOTHERMUS MARINUS} SCOP: b.29.1.11
Probab=39.33 E-value=25 Score=30.61 Aligned_cols=90 Identities=13% Similarity=0.203 Sum_probs=52.9 Template_Neff=8.000
Q 6KWC_1 85 LIEYYIVENF-GTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRN-HRSS-GSVNTANHFNAWA 161 (191)
Q Consensus 85 lvEYYIvE~w-g~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR~~-~r~~-GtI~~~~HF~aW~ 161 (191)
..|--|-=.+ +...|. +.+.+++++.|.+|+||+... + . .+++.+.. +..+ +++++...|+.-.
T Consensus 122 ~~EiMIWl~~~g~~~P~--G~~~~~v~i~g~~w~vy~g~~-------~-~---~v~sfv~~~~~~~~~~~Dl~~fl~~l~ 188 (227)
T 2BW8_A 122 GAELMIWLNWNGGVMPG--GSRVATVELAGATWEVWYADW-------D-W---NYIAYRRTTPTTSVSELDLKAFIDDAV 188 (227)
T ss_dssp SEEEEEEEEEESSCCCS--SEEEEEEEETTEEEEEEEEES-------S-S---EEEEEEESSCCSEEEEEEHHHHHHHHH
T ss_pred cEEEEEEEeecCCcccc--ceeeEEEEECCEEEEEEEecC-------C-e---EEEEEEECCCCCcceeeehHHHHHHHH
Confidence 3444443333 233443 234678999999999998531 1 1 23444432 3223 4899999998766
Q 6KWC_1 162 QQGLTLGTM--DYQIVAVQGYFSSGSAS 187 (191)
Q Consensus 162 ~~Gl~lG~~--~~~~~~vEgy~ssG~a~ 187 (191)
+.+....++ ..+-+.+|-+.++|...
T Consensus 189 ~~~~~~~~~yl~~v~~GtE~~~G~g~~~ 216 (227)
T 2BW8_A 189 ARGYIRPEWYLHAVETGFELWEGGAGLR 216 (227)
T ss_dssp HTTSSCTTSEEEEEEEECCEEECCTTCE
T ss_pred HCCCCCcccEEEEEEEEeeEEecCCeee
Confidence 666444443 33447888888777443
No 57
>4G6T_B Type III chaperone protein ShcA; Chaperone Effector, secretion chaperone, CHAPERONE; 1.56A {Pseudomonas syringae pv. tomato}
Probab=36.81 E-value=29 Score=26.30 Aligned_cols=16 Identities=31% Similarity=0.565 Sum_probs=13.7 Template_Neff=2.500
Q 6KWC_1 105 KLGEVTSDGSVYDIYR 120 (191)
Q Consensus 105 ~~G~~t~DG~tYdiy~ 120 (191)
..|.++++|.+|+|--
T Consensus 6 ahGqlEV~GK~Y~IrA 21 (82)
T 4G6T_B 6 ANGQLEVDGKRYEIRA 21 (82)
T ss_dssp SCEEEEETTEEEEEEE
T ss_pred hcCeEEECCEEEEEEE
Confidence 4689999999999953
No 58
>3VLB_B EDGP, Xyloglucan-specific endo-beta-1,4-glucanase A (E.C.3.2.1.151); cell-wall, PLANT PROTEIN-HYDROLASE complex; 2.7A {Daucus carota}
Probab=31.57 E-value=40 Score=29.26 Aligned_cols=91 Identities=12% Similarity=0.103 Sum_probs=54.3 Template_Neff=8.000
Q 6KWC_1 84 PLIEYYIVENF-GTYNPSTG-ATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVR-RNHRSSGSVNTANHFNAW 160 (191)
Q Consensus 84 PlvEYYIvE~w-g~~~P~~~-~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR-~~~r~~GtI~~~~HF~aW 160 (191)
+..|--|-=.+ +...|... .....+++++|.+|+||+.... + ..++|.+ +.+..+.++++...|+.=
T Consensus 114 ~~~EIMIWl~~~g~~~P~G~~~~~~~~v~i~G~~w~ly~g~~~------~----~~v~sfv~~~~~~~~~~Dl~~fl~~l 183 (222)
T 3VLB_B 114 SKYEIMVWLAALGGAGPISSTGSTIATPTIAGVNWKLYSGPNG------D----TTVYSFVADSTTESFSGDLNDFFTYL 183 (222)
T ss_dssp CSEEEEEEEEEETTBCCCCSSSSCSBCCEETTEEEEEEEEECS------S----CEEEEEEESSCCSEEEEETHHHHHHH
T ss_pred CceEEEEEhhhcCCCcccccCCccccccEECCEEEEEEEecCC------C----eEEEEEEeCCCccEEEEehHHHHHHH
Confidence 45555554433 34455422 1225689999999999976531 1 1234443 334567899999999865
Q 6KWC_1 161 AQQGLTLGTM--DYQIVAVQGYFSSG 184 (191)
Q Consensus 161 ~~~Gl~lG~~--~~~~~~vEgy~ssG 184 (191)
.+.+.-..++ ..+-+.+|-+.++|
T Consensus 184 ~~~~~~~~~~yl~~ve~G~E~~~G~~ 209 (222)
T 3VLB_B 184 VDNEGVSDELYLTTLEAGTEPFTGSN 209 (222)
T ss_dssp HHHSCCCTTSEEEEEEEEEEEEEEEE
T ss_pred HHcCCCChhcEEEEEEEEEceEEecC
Confidence 5555432333 34457888887766
No 59
>3B7M_C CELLULASE (E.C.3.2.1.4); cellulase, hydrolase, endoglucanase, crystal, beta-jelly; 2.1A {Rhodothermus marinus}
Probab=27.31 E-value=53 Score=28.40 Aligned_cols=92 Identities=12% Similarity=0.120 Sum_probs=55.4 Template_Neff=8.000
Q 6KWC_1 84 PLIEYYIVENF-GTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRN-HRSSG-SVNTANHFNAW 160 (191)
Q Consensus 84 PlvEYYIvE~w-g~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR~~-~r~~G-tI~~~~HF~aW 160 (191)
+..|--|-=.+ +...|. +.+.+++++.|.+++||+.... + ..++|.+.. +..++ .+++..-|+.=
T Consensus 111 ~~~EiMIWl~~~g~~~P~--G~~~~~v~i~g~~w~vy~g~~~------~----~~v~sfv~~~~~~~~~~~Dl~~fl~~l 178 (216)
T 3B7M_C 111 GDAELMIWLNKNGDVMPI--GSRVATVELAGATWEVWYADNG------A----MNVISYVRTTPTTSVTELDLKAFIDDA 178 (216)
T ss_dssp CSEEEEEEEEEESSCCCS--SEEEEEEEETTEEEEEEEEECS------S----SEEEEEEESSCCSEEEEEEHHHHHHHH
T ss_pred CcEEEEEEeeecCCcccc--eeeeEEEEECCEEEEEEEecCC------C----eEEEEEEeCCCCCceeEeehHHHHHHH
Confidence 44565555444 344453 2357789999999999986421 1 134454433 33344 89999988865
Q 6KWC_1 161 AQQGLTLGT--MDYQIVAVQGYFSSGSAS 187 (191)
Q Consensus 161 ~~~Gl~lG~--~~~~~~~vEgy~ssG~a~ 187 (191)
.+.+....+ |..+-+.+|-+.++|...
T Consensus 179 ~~~~~~~~~~yL~~v~~G~E~~~G~~~~~ 207 (216)
T 3B7M_C 179 VARGYIRPEWYLLSVQTGFELFTGGAGLR 207 (216)
T ss_dssp HHTTSSCTTSEEEEEEEEEEEEECCTTCE
T ss_pred HHCCCCCcccEEeEEEEEeeEEEccCeeE
Confidence 555543333 334457888888777443
No 60
>1H0B_B CELLULASE (E.C.3.2.1.4); CELLULASE, ENDOGLUCANASE, HYDROLASE; HET: EPE; 1.8A {RHODOTHERMUS MARINUS} SCOP: b.29.1.11
Probab=26.21 E-value=58 Score=29.23 Aligned_cols=91 Identities=13% Similarity=0.195 Sum_probs=52.4 Template_Neff=7.400
Q 6KWC_1 84 PLIEYYIVENF-GTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRN-HRSS-GSVNTANHFNAW 160 (191)
Q Consensus 84 PlvEYYIvE~w-g~~~P~~~~~~~G~~t~DG~tYdiy~~~r~~~psi~G~~~f~Qy~SVR~~-~r~~-GtI~~~~HF~aW 160 (191)
+..|--|-=.+ +...|. +.+.+++++.|.+|+||+... + . .++|.+.. +..+ +++++..-|+.-
T Consensus 121 ~~~EIMIWL~~~g~~~P~--G~~~~~v~i~g~~w~vy~g~~-------g-w---~v~sfv~~~~~~~~~~~Dl~~fl~~l 187 (256)
T 1H0B_B 121 GGAELMIWLNWNGGVMPG--GSRVATVELAGATWEVWYADW-------D-W---NYIAYRRTTPTTSVSELDLKAFIDDA 187 (256)
T ss_dssp TSEEEEEEEEEESSCCCS--SEEEEEEEETTEEEEEEEEES-------S-S---EEEEEEESSCCSEEEEEEHHHHHHHH
T ss_pred ccEEEEEEEeecCCcccc--eeeeeeEEECCEEEEEEEecC-------C-c---EEEEEEeCCCCCceeeeehHHHHHHH
Confidence 34454443333 334453 245778999999999998531 1 1 23444432 3323 479999988876
Q 6KWC_1 161 AQQGLTLGTM--DYQIVAVQGYFSSGSAS 187 (191)
Q Consensus 161 ~~~Gl~lG~~--~~~~~~vEgy~ssG~a~ 187 (191)
.+.+.-..++ ..+-+.+|-+.++|...
T Consensus 188 ~~~~~~~~~~YL~~ve~GtE~~~G~g~~~ 216 (256)
T 1H0B_B 188 VARGYIRPEWYLHAVETGFELWEGGAGLR 216 (256)
T ss_dssp HHTTSSCTTSEEEEEEEECCEEECCTTCE
T ss_pred HHCCCCCcccEEEEEEEEEeEEEecCeeE
Confidence 5555433333 33447778877777443
examples/monomer/alignments/6KWC_1/mgnify_hits.sto 0 → 100644
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examples/monomer/alignments/6KWC_1/uniref90_hits.sto 0 → 100644
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examples/monomer/fasta_dir/6kwc.fasta 0 → 100644
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>6KWC_1
GSTIQPGTGYNNGYFYSYWNDGHGGVTYTNGPGGQFSVNWSNSGEFVGGKGWQPGTKNKVINFSGSYNPNGNSYLSVYGWSRNPLIEYYIVENFGTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRNHRSSGSVNTANHFNAWAQQGLTLGTMDYQIVAVQGYFSSGSASITVS
examples/monomer/inference.sh 0 → 100755
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#!/bin/bash
export LD_LIBRARY_PATH=$CONDA_PREFIX/lib:$LD_LIBRARY_PATH
export LIBRARY_PATH=$CONDA_PREFIX/lib:$LIBRARY_PATH
export FASTA_DIR=./fasta_dir
export OUTPUT_DIR=./
export PRECOMPUTED_ALIGNMENT_DIR=./alignments
export MMCIF_DIR=/mmcifs # UPDATE with path to your mmcifs directory
python3 run_pretrained_openfold.py $FASTA_DIR \
$MMCIF_DIR \
--output_dir $OUTPUT_DIR \
--config_preset model_1_ptm \
--model_device "cuda:0" \
--data_random_seed 42 \
--use_precomputed_alignments $PRECOMPUTED_ALIGNMENT_DIR
examples/monomer/sample_predictions/6KWC_1_model_1_ptm_relaxed.pdb 0 → 100644
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examples/monomer/sample_predictions/6KWC_1_model_1_ptm_unrelaxed.pdb 0 → 100644
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REMARK no_recycling=3, max_templates=4, config_preset=model_1_ptm
PARENT 2dfb_A 1h1a_B 1te1_B 5hxv_D
MODEL 1
ATOM 1 N GLY A 1 16.192 -4.014 -14.999 1.00 59.92 N
ATOM 2 CA GLY A 1 15.125 -4.784 -14.381 1.00 59.92 C
ATOM 3 C GLY A 1 14.154 -5.373 -15.387 1.00 59.92 C
ATOM 4 O GLY A 1 14.227 -5.068 -16.579 1.00 59.92 O
ATOM 5 N SER A 2 13.831 -6.556 -15.362 1.00 69.27 N
ATOM 6 CA SER A 2 12.969 -7.308 -16.267 1.00 69.27 C
ATOM 7 C SER A 2 11.502 -6.949 -16.060 1.00 69.27 C
ATOM 8 CB SER A 2 13.167 -8.812 -16.070 1.00 69.27 C
ATOM 9 O SER A 2 11.081 -6.660 -14.938 1.00 69.27 O
ATOM 10 OG SER A 2 13.018 -9.164 -14.706 1.00 69.27 O
ATOM 11 N THR A 3 10.804 -6.484 -17.148 1.00 82.43 N
ATOM 12 CA THR A 3 9.355 -6.324 -17.083 1.00 82.43 C
ATOM 13 C THR A 3 8.679 -7.654 -16.761 1.00 82.43 C
ATOM 14 CB THR A 3 8.795 -5.767 -18.405 1.00 82.43 C
ATOM 15 O THR A 3 9.086 -8.702 -17.266 1.00 82.43 O
ATOM 16 CG2 THR A 3 8.712 -4.245 -18.369 1.00 82.43 C
ATOM 17 OG1 THR A 3 9.651 -6.163 -19.484 1.00 82.43 O
ATOM 18 N ILE A 4 7.744 -7.487 -15.825 1.00 87.99 N
ATOM 19 CA ILE A 4 7.161 -8.770 -15.447 1.00 87.99 C
ATOM 20 C ILE A 4 5.642 -8.708 -15.586 1.00 87.99 C
ATOM 21 CB ILE A 4 7.552 -9.166 -14.005 1.00 87.99 C
ATOM 22 O ILE A 4 5.058 -7.622 -15.604 1.00 87.99 O
ATOM 23 CG1 ILE A 4 7.060 -8.109 -13.010 1.00 87.99 C
ATOM 24 CG2 ILE A 4 9.067 -9.362 -13.891 1.00 87.99 C
ATOM 25 CD1 ILE A 4 7.217 -8.514 -11.550 1.00 87.99 C
ATOM 26 N GLN A 5 5.022 -9.810 -15.811 1.00 91.26 N
ATOM 27 CA GLN A 5 3.580 -10.016 -15.725 1.00 91.26 C
ATOM 28 C GLN A 5 3.129 -10.150 -14.273 1.00 91.26 C
ATOM 29 CB GLN A 5 3.166 -11.255 -16.519 1.00 91.26 C
ATOM 30 O GLN A 5 3.957 -10.298 -13.371 1.00 91.26 O
ATOM 31 CG GLN A 5 3.502 -11.176 -18.002 1.00 91.26 C
ATOM 32 CD GLN A 5 2.714 -10.100 -18.726 1.00 91.26 C
ATOM 33 NE2 GLN A 5 3.367 -9.413 -19.658 1.00 91.26 N
ATOM 34 OE1 GLN A 5 1.529 -9.889 -18.451 1.00 91.26 O
ATOM 35 N PRO A 6 1.766 -9.886 -14.046 1.00 95.08 N
ATOM 36 CA PRO A 6 1.326 -10.052 -12.658 1.00 95.08 C
ATOM 37 C PRO A 6 1.908 -11.301 -12.001 1.00 95.08 C
ATOM 38 CB PRO A 6 -0.196 -10.158 -12.782 1.00 95.08 C
ATOM 39 O PRO A 6 1.883 -12.383 -12.592 1.00 95.08 O
ATOM 40 CG PRO A 6 -0.539 -9.351 -13.992 1.00 95.08 C
ATOM 41 CD PRO A 6 0.544 -9.542 -15.015 1.00 95.08 C
ATOM 42 N GLY A 7 2.503 -11.118 -10.843 1.00 95.71 N
ATOM 43 CA GLY A 7 3.098 -12.193 -10.066 1.00 95.71 C
ATOM 44 C GLY A 7 3.771 -11.709 -8.795 1.00 95.71 C
ATOM 45 O GLY A 7 3.631 -10.544 -8.417 1.00 95.71 O
ATOM 46 N THR A 8 4.214 -12.632 -8.050 1.00 97.59 N
ATOM 47 CA THR A 8 4.970 -12.361 -6.832 1.00 97.59 C
ATOM 48 C THR A 8 6.287 -13.132 -6.831 1.00 97.59 C
ATOM 49 CB THR A 8 4.157 -12.727 -5.577 1.00 97.59 C
ATOM 50 O THR A 8 6.476 -14.050 -7.632 1.00 97.59 O
ATOM 51 CG2 THR A 8 2.855 -11.934 -5.514 1.00 97.59 C
ATOM 52 OG1 THR A 8 3.850 -14.126 -5.604 1.00 97.59 O
ATOM 53 N GLY A 9 7.204 -12.689 -6.141 1.00 97.49 N
ATOM 54 CA GLY A 9 8.486 -13.356 -5.974 1.00 97.49 C
ATOM 55 C GLY A 9 9.499 -12.518 -5.218 1.00 97.49 C
ATOM 56 O GLY A 9 9.128 -11.651 -4.424 1.00 97.49 O
ATOM 57 N TYR A 10 10.688 -12.934 -5.252 1.00 98.05 N
ATOM 58 CA TYR A 10 11.797 -12.206 -4.646 1.00 98.05 C
ATOM 59 C TYR A 10 12.766 -11.703 -5.709 1.00 98.05 C
ATOM 60 CB TYR A 10 12.538 -13.094 -3.642 1.00 98.05 C
ATOM 61 O TYR A 10 13.057 -12.410 -6.677 1.00 98.05 O
ATOM 62 CG TYR A 10 11.772 -13.338 -2.365 1.00 98.05 C
ATOM 63 CD1 TYR A 10 10.796 -14.329 -2.294 1.00 98.05 C
ATOM 64 CD2 TYR A 10 12.021 -12.577 -1.228 1.00 98.05 C
ATOM 65 CE1 TYR A 10 10.085 -14.556 -1.119 1.00 98.05 C
ATOM 66 CE2 TYR A 10 11.316 -12.795 -0.048 1.00 98.05 C
ATOM 67 OH TYR A 10 9.652 -14.005 1.161 1.00 98.05 O
ATOM 68 CZ TYR A 10 10.353 -13.785 -0.004 1.00 98.05 C
ATOM 69 N ASN A 11 13.082 -10.505 -5.481 1.00 97.75 N
ATOM 70 CA ASN A 11 14.106 -9.883 -6.314 1.00 97.75 C
ATOM 71 C ASN A 11 15.150 -9.157 -5.469 1.00 97.75 C
ATOM 72 CB ASN A 11 13.470 -8.917 -7.316 1.00 97.75 C
ATOM 73 O ASN A 11 14.833 -8.185 -4.782 1.00 97.75 O
ATOM 74 CG ASN A 11 14.492 -8.249 -8.213 1.00 97.75 C
ATOM 75 ND2 ASN A 11 15.012 -8.996 -9.180 1.00 97.75 N
ATOM 76 OD1 ASN A 11 14.814 -7.070 -8.038 1.00 97.75 O
ATOM 77 N ASN A 12 16.295 -9.690 -5.442 1.00 96.83 N
ATOM 78 CA ASN A 12 17.402 -9.099 -4.696 1.00 96.83 C
ATOM 79 C ASN A 12 17.071 -8.968 -3.212 1.00 96.83 C
ATOM 80 CB ASN A 12 17.775 -7.735 -5.280 1.00 96.83 C
ATOM 81 O ASN A 12 17.291 -7.913 -2.614 1.00 96.83 O
ATOM 82 CG ASN A 12 18.323 -7.833 -6.690 1.00 96.83 C
ATOM 83 ND2 ASN A 12 17.744 -7.067 -7.606 1.00 96.83 N
ATOM 84 OD1 ASN A 12 19.260 -8.592 -6.953 1.00 96.83 O
ATOM 85 N GLY A 13 16.438 -9.983 -2.648 1.00 97.20 N
ATOM 86 CA GLY A 13 16.181 -10.063 -1.219 1.00 97.20 C
ATOM 87 C GLY A 13 14.877 -9.404 -0.809 1.00 97.20 C
ATOM 88 O GLY A 13 14.505 -9.430 0.366 1.00 97.20 O
ATOM 89 N TYR A 14 14.229 -8.751 -1.729 1.00 98.50 N
ATOM 90 CA TYR A 14 12.957 -8.099 -1.438 1.00 98.50 C
ATOM 91 C TYR A 14 11.803 -8.833 -2.109 1.00 98.50 C
ATOM 92 CB TYR A 14 12.984 -6.638 -1.896 1.00 98.50 C
ATOM 93 O TYR A 14 11.920 -9.270 -3.256 1.00 98.50 O
ATOM 94 CG TYR A 14 13.910 -5.765 -1.085 1.00 98.50 C
ATOM 95 CD1 TYR A 14 15.279 -5.738 -1.344 1.00 98.50 C
ATOM 96 CD2 TYR A 14 13.419 -4.966 -0.058 1.00 98.50 C
ATOM 97 CE1 TYR A 14 16.136 -4.936 -0.598 1.00 98.50 C
ATOM 98 CE2 TYR A 14 14.268 -4.160 0.694 1.00 98.50 C
ATOM 99 OH TYR A 14 16.467 -3.356 1.159 1.00 98.50 O
ATOM 100 CZ TYR A 14 15.622 -4.151 0.417 1.00 98.50 C
ATOM 101 N PHE A 15 10.775 -8.936 -1.347 1.00 98.60 N
ATOM 102 CA PHE A 15 9.543 -9.475 -1.912 1.00 98.60 C
ATOM 103 C PHE A 15 8.882 -8.460 -2.837 1.00 98.60 C
ATOM 104 CB PHE A 15 8.572 -9.882 -0.799 1.00 98.60 C
ATOM 105 O PHE A 15 8.857 -7.265 -2.538 1.00 98.60 O
ATOM 106 CG PHE A 15 7.251 -10.396 -1.304 1.00 98.60 C
ATOM 107 CD1 PHE A 15 7.123 -11.706 -1.749 1.00 98.60 C
ATOM 108 CD2 PHE A 15 6.136 -9.568 -1.335 1.00 98.60 C
ATOM 109 CE1 PHE A 15 5.901 -12.184 -2.217 1.00 98.60 C
ATOM 110 CE2 PHE A 15 4.912 -10.038 -1.801 1.00 98.60 C
ATOM 111 CZ PHE A 15 4.797 -11.347 -2.242 1.00 98.60 C
ATOM 112 N TYR A 16 8.530 -8.849 -4.020 1.00 98.55 N
ATOM 113 CA TYR A 16 7.742 -7.969 -4.876 1.00 98.55 C
ATOM 114 C TYR A 16 6.359 -8.555 -5.134 1.00 98.55 C
ATOM 115 CB TYR A 16 8.462 -7.726 -6.206 1.00 98.55 C
ATOM 116 O TYR A 16 6.165 -9.770 -5.040 1.00 98.55 O
ATOM 117 CG TYR A 16 8.419 -8.908 -7.144 1.00 98.55 C
ATOM 118 CD1 TYR A 16 7.394 -9.045 -8.078 1.00 98.55 C
ATOM 119 CD2 TYR A 16 9.403 -9.890 -7.099 1.00 98.55 C
ATOM 120 CE1 TYR A 16 7.350 -10.133 -8.943 1.00 98.55 C
ATOM 121 CE2 TYR A 16 9.368 -10.983 -7.959 1.00 98.55 C
ATOM 122 OH TYR A 16 8.301 -12.175 -9.731 1.00 98.55 O
ATOM 123 CZ TYR A 16 8.340 -11.095 -8.876 1.00 98.55 C
ATOM 124 N SER A 17 5.425 -7.729 -5.285 1.00 98.28 N
ATOM 125 CA SER A 17 4.078 -8.062 -5.740 1.00 98.28 C
ATOM 126 C SER A 17 3.602 -7.091 -6.814 1.00 98.28 C
ATOM 127 CB SER A 17 3.099 -8.057 -4.565 1.00 98.28 C
ATOM 128 O SER A 17 3.696 -5.874 -6.644 1.00 98.28 O
ATOM 129 OG SER A 17 1.770 -8.247 -5.018 1.00 98.28 O
ATOM 130 N TYR A 18 3.186 -7.692 -7.893 1.00 98.03 N
ATOM 131 CA TYR A 18 2.607 -6.912 -8.981 1.00 98.03 C
ATOM 132 C TYR A 18 1.298 -7.530 -9.458 1.00 98.03 C
ATOM 133 CB TYR A 18 3.591 -6.806 -10.150 1.00 98.03 C
ATOM 134 O TYR A 18 1.247 -8.718 -9.784 1.00 98.03 O
ATOM 135 CG TYR A 18 2.998 -6.176 -11.387 1.00 98.03 C
ATOM 136 CD1 TYR A 18 2.291 -4.978 -11.312 1.00 98.03 C
ATOM 137 CD2 TYR A 18 3.143 -6.778 -12.633 1.00 98.03 C
ATOM 138 CE1 TYR A 18 1.742 -4.395 -12.449 1.00 98.03 C
ATOM 139 CE2 TYR A 18 2.597 -6.204 -13.776 1.00 98.03 C
ATOM 140 OH TYR A 18 1.358 -4.441 -14.804 1.00 98.03 O
ATOM 141 CZ TYR A 18 1.900 -5.014 -13.675 1.00 98.03 C
ATOM 142 N TRP A 19 0.276 -6.726 -9.470 1.00 96.88 N
ATOM 143 CA TRP A 19 -1.054 -7.122 -9.923 1.00 96.88 C
ATOM 144 C TRP A 19 -1.661 -6.054 -10.827 1.00 96.88 C
ATOM 145 CB TRP A 19 -1.975 -7.381 -8.728 1.00 96.88 C
ATOM 146 O TRP A 19 -1.437 -4.858 -10.623 1.00 96.88 O
ATOM 147 CG TRP A 19 -3.394 -7.681 -9.107 1.00 96.88 C
ATOM 148 CD1 TRP A 19 -3.940 -8.911 -9.349 1.00 96.88 C
ATOM 149 CD2 TRP A 19 -4.448 -6.731 -9.292 1.00 96.88 C
ATOM 150 CE2 TRP A 19 -5.607 -7.456 -9.646 1.00 96.88 C
ATOM 151 CE3 TRP A 19 -4.525 -5.335 -9.193 1.00 96.88 C
ATOM 152 NE1 TRP A 19 -5.271 -8.783 -9.674 1.00 96.88 N
ATOM 153 CH2 TRP A 19 -6.878 -5.465 -9.796 1.00 96.88 C
ATOM 154 CZ2 TRP A 19 -6.830 -6.831 -9.900 1.00 96.88 C
ATOM 155 CZ3 TRP A 19 -5.743 -4.715 -9.447 1.00 96.88 C
ATOM 156 N ASN A 20 -2.392 -6.442 -11.812 1.00 96.65 N
ATOM 157 CA ASN A 20 -3.212 -5.528 -12.601 1.00 96.65 C
ATOM 158 C ASN A 20 -4.473 -6.214 -13.120 1.00 96.65 C
ATOM 159 CB ASN A 20 -2.405 -4.950 -13.765 1.00 96.65 C
ATOM 160 O ASN A 20 -4.586 -7.440 -13.066 1.00 96.65 O
ATOM 161 CG ASN A 20 -2.098 -5.982 -14.832 1.00 96.65 C
ATOM 162 ND2 ASN A 20 -0.821 -6.314 -14.986 1.00 96.65 N
ATOM 163 OD1 ASN A 20 -3.000 -6.475 -15.514 1.00 96.65 O
ATOM 164 N ASP A 21 -5.428 -5.448 -13.496 1.00 95.71 N
ATOM 165 CA ASP A 21 -6.695 -6.038 -13.916 1.00 95.71 C
ATOM 166 C ASP A 21 -6.721 -6.267 -15.426 1.00 95.71 C
ATOM 167 CB ASP A 21 -7.867 -5.147 -13.499 1.00 95.71 C
ATOM 168 O ASP A 21 -7.773 -6.561 -15.997 1.00 95.71 O
ATOM 169 CG ASP A 21 -7.819 -3.769 -14.135 1.00 95.71 C
ATOM 170 OD1 ASP A 21 -8.736 -2.954 -13.896 1.00 95.71 O
ATOM 171 OD2 ASP A 21 -6.856 -3.495 -14.884 1.00 95.71 O
ATOM 172 N GLY A 22 -5.552 -6.013 -16.133 1.00 94.25 N
ATOM 173 CA GLY A 22 -5.393 -6.348 -17.539 1.00 94.25 C
ATOM 174 C GLY A 22 -5.801 -5.222 -18.471 1.00 94.25 C
ATOM 175 O GLY A 22 -5.679 -5.344 -19.691 1.00 94.25 O
ATOM 176 N HIS A 23 -6.188 -4.110 -17.836 1.00 94.79 N
ATOM 177 CA HIS A 23 -6.614 -2.978 -18.652 1.00 94.79 C
ATOM 178 C HIS A 23 -5.482 -1.973 -18.834 1.00 94.79 C
ATOM 179 CB HIS A 23 -7.829 -2.292 -18.024 1.00 94.79 C
ATOM 180 O HIS A 23 -4.782 -1.640 -17.875 1.00 94.79 O
ATOM 181 CG HIS A 23 -8.380 -1.173 -18.850 1.00 94.79 C
ATOM 182 CD2 HIS A 23 -8.250 0.169 -18.728 1.00 94.79 C
ATOM 183 ND1 HIS A 23 -9.176 -1.385 -19.955 1.00 94.79 N
ATOM 184 CE1 HIS A 23 -9.511 -0.218 -20.478 1.00 94.79 C
ATOM 185 NE2 HIS A 23 -8.962 0.741 -19.752 1.00 94.79 N
ATOM 186 N GLY A 24 -5.363 -1.362 -19.996 1.00 94.08 N
ATOM 187 CA GLY A 24 -4.387 -0.317 -20.260 1.00 94.08 C
ATOM 188 C GLY A 24 -2.954 -0.808 -20.189 1.00 94.08 C
ATOM 189 O GLY A 24 -2.700 -2.012 -20.264 1.00 94.08 O
ATOM 190 N GLY A 25 -2.012 0.207 -20.307 1.00 95.49 N
ATOM 191 CA GLY A 25 -0.595 -0.119 -20.310 1.00 95.49 C
ATOM 192 C GLY A 25 0.065 0.078 -18.958 1.00 95.49 C
ATOM 193 O GLY A 25 0.060 1.184 -18.414 1.00 95.49 O
ATOM 194 N VAL A 26 0.488 -0.956 -18.364 1.00 97.68 N
ATOM 195 CA VAL A 26 1.282 -0.880 -17.142 1.00 97.68 C
ATOM 196 C VAL A 26 2.568 -1.686 -17.310 1.00 97.68 C
ATOM 197 CB VAL A 26 0.489 -1.389 -15.918 1.00 97.68 C
ATOM 198 O VAL A 26 2.527 -2.862 -17.678 1.00 97.68 O
ATOM 199 CG1 VAL A 26 1.316 -1.245 -14.641 1.00 97.68 C
ATOM 200 CG2 VAL A 26 -0.835 -0.638 -15.789 1.00 97.68 C
ATOM 201 N THR A 27 3.644 -1.009 -17.097 1.00 98.06 N
ATOM 202 CA THR A 27 4.929 -1.700 -17.089 1.00 98.06 C
ATOM 203 C THR A 27 5.582 -1.612 -15.713 1.00 98.06 C
ATOM 204 CB THR A 27 5.882 -1.119 -18.150 1.00 98.06 C
ATOM 205 O THR A 27 5.981 -0.530 -15.277 1.00 98.06 O
ATOM 206 CG2 THR A 27 7.198 -1.889 -18.188 1.00 98.06 C
ATOM 207 OG1 THR A 27 5.258 -1.196 -19.438 1.00 98.06 O
ATOM 208 N TYR A 28 5.649 -2.672 -15.049 1.00 98.28 N
ATOM 209 CA TYR A 28 6.335 -2.822 -13.771 1.00 98.28 C
ATOM 210 C TYR A 28 7.724 -3.419 -13.964 1.00 98.28 C
ATOM 211 CB TYR A 28 5.516 -3.701 -12.821 1.00 98.28 C
ATOM 212 O TYR A 28 7.881 -4.433 -14.648 1.00 98.28 O
ATOM 213 CG TYR A 28 6.159 -3.898 -11.470 1.00 98.28 C
ATOM 214 CD1 TYR A 28 5.806 -3.097 -10.386 1.00 98.28 C
ATOM 215 CD2 TYR A 28 7.121 -4.883 -11.274 1.00 98.28 C
ATOM 216 CE1 TYR A 28 6.398 -3.273 -9.139 1.00 98.28 C
ATOM 217 CE2 TYR A 28 7.719 -5.068 -10.032 1.00 98.28 C
ATOM 218 OH TYR A 28 7.939 -4.438 -7.740 1.00 98.28 O
ATOM 219 CZ TYR A 28 7.351 -4.260 -8.972 1.00 98.28 C
ATOM 220 N THR A 29 8.741 -2.812 -13.402 1.00 98.48 N
ATOM 221 CA THR A 29 10.114 -3.289 -13.523 1.00 98.48 C
ATOM 222 C THR A 29 10.763 -3.424 -12.149 1.00 98.48 C
ATOM 223 CB THR A 29 10.957 -2.346 -14.401 1.00 98.48 C
ATOM 224 O THR A 29 10.796 -2.465 -11.375 1.00 98.48 O
ATOM 225 CG2 THR A 29 12.374 -2.882 -14.581 1.00 98.48 C
ATOM 226 OG1 THR A 29 10.339 -2.221 -15.688 1.00 98.48 O
ATOM 227 N ASN A 30 11.277 -4.555 -11.867 1.00 98.11 N
ATOM 228 CA ASN A 30 12.124 -4.737 -10.693 1.00 98.11 C
ATOM 229 C ASN A 30 13.536 -4.209 -10.933 1.00 98.11 C
ATOM 230 CB ASN A 30 12.170 -6.212 -10.288 1.00 98.11 C
ATOM 231 O ASN A 30 14.200 -4.614 -11.888 1.00 98.11 O
ATOM 232 CG ASN A 30 10.877 -6.684 -9.654 1.00 98.11 C
ATOM 233 ND2 ASN A 30 10.386 -7.836 -10.096 1.00 98.11 N
ATOM 234 OD1 ASN A 30 10.323 -6.019 -8.775 1.00 98.11 O
ATOM 235 N GLY A 31 13.964 -3.327 -10.106 1.00 97.78 N
ATOM 236 CA GLY A 31 15.324 -2.816 -10.172 1.00 97.78 C
ATOM 237 C GLY A 31 16.252 -3.455 -9.156 1.00 97.78 C
ATOM 238 O GLY A 31 15.922 -4.487 -8.568 1.00 97.78 O
ATOM 239 N PRO A 32 17.540 -2.962 -8.972 1.00 97.74 N
ATOM 240 CA PRO A 32 18.469 -3.514 -7.984 1.00 97.74 C
ATOM 241 C PRO A 32 17.997 -3.301 -6.547 1.00 97.74 C
ATOM 242 CB PRO A 32 19.766 -2.748 -8.252 1.00 97.74 C
ATOM 243 O PRO A 32 17.310 -2.318 -6.259 1.00 97.74 O
ATOM 244 CG PRO A 32 19.540 -2.060 -9.559 1.00 97.74 C
ATOM 245 CD PRO A 32 18.061 -1.975 -9.804 1.00 97.74 C
ATOM 246 N GLY A 33 18.339 -4.193 -5.700 1.00 97.05 N
ATOM 247 CA GLY A 33 17.994 -4.068 -4.293 1.00 97.05 C
ATOM 248 C GLY A 33 16.509 -3.863 -4.059 1.00 97.05 C
ATOM 249 O GLY A 33 15.686 -4.650 -4.531 1.00 97.05 O
ATOM 250 N GLY A 34 16.104 -2.900 -3.318 1.00 98.32 N
ATOM 251 CA GLY A 34 14.717 -2.605 -2.994 1.00 98.32 C
ATOM 252 C GLY A 34 14.040 -1.719 -4.021 1.00 98.32 C
ATOM 253 O GLY A 34 12.884 -1.328 -3.846 1.00 98.32 O
ATOM 254 N GLN A 35 14.718 -1.423 -5.172 1.00 98.61 N
ATOM 255 CA GLN A 35 14.206 -0.502 -6.181 1.00 98.61 C
ATOM 256 C GLN A 35 13.180 -1.187 -7.081 1.00 98.61 C
ATOM 257 CB GLN A 35 15.350 0.062 -7.025 1.00 98.61 C
ATOM 258 O GLN A 35 13.329 -2.364 -7.416 1.00 98.61 O
ATOM 259 CG GLN A 35 14.914 1.132 -8.017 1.00 98.61 C
ATOM 260 CD GLN A 35 16.019 1.527 -8.978 1.00 98.61 C
ATOM 261 NE2 GLN A 35 16.124 2.821 -9.260 1.00 98.61 N
ATOM 262 OE1 GLN A 35 16.773 0.677 -9.461 1.00 98.61 O
ATOM 263 N PHE A 36 12.079 -0.512 -7.458 1.00 98.65 N
ATOM 264 CA PHE A 36 11.150 -0.857 -8.528 1.00 98.65 C
ATOM 265 C PHE A 36 10.641 0.397 -9.228 1.00 98.65 C
ATOM 266 CB PHE A 36 9.971 -1.666 -7.978 1.00 98.65 C
ATOM 267 O PHE A 36 10.756 1.503 -8.694 1.00 98.65 O
ATOM 268 CG PHE A 36 9.010 -0.854 -7.153 1.00 98.65 C
ATOM 269 CD1 PHE A 36 7.901 -0.256 -7.739 1.00 98.65 C
ATOM 270 CD2 PHE A 36 9.215 -0.689 -5.789 1.00 98.65 C
ATOM 271 CE1 PHE A 36 7.010 0.496 -6.978 1.00 98.65 C
ATOM 272 CE2 PHE A 36 8.329 0.061 -5.021 1.00 98.65 C
ATOM 273 CZ PHE A 36 7.227 0.653 -5.618 1.00 98.65 C
ATOM 274 N SER A 37 10.233 0.250 -10.458 1.00 98.55 N
ATOM 275 CA SER A 37 9.602 1.329 -11.211 1.00 98.55 C
ATOM 276 C SER A 37 8.318 0.856 -11.884 1.00 98.55 C
ATOM 277 CB SER A 37 10.565 1.882 -12.263 1.00 98.55 C
ATOM 278 O SER A 37 8.162 -0.332 -12.170 1.00 98.55 O
ATOM 279 OG SER A 37 10.966 0.863 -13.163 1.00 98.55 O
ATOM 280 N VAL A 38 7.409 1.796 -12.044 1.00 98.39 N
ATOM 281 CA VAL A 38 6.174 1.521 -12.770 1.00 98.39 C
ATOM 282 C VAL A 38 5.822 2.712 -13.660 1.00 98.39 C
ATOM 283 CB VAL A 38 5.006 1.211 -11.807 1.00 98.39 C
ATOM 284 O VAL A 38 5.896 3.863 -13.224 1.00 98.39 O
ATOM 285 CG1 VAL A 38 3.779 0.735 -12.583 1.00 98.39 C
ATOM 286 CG2 VAL A 38 5.428 0.167 -10.776 1.00 98.39 C
ATOM 287 N ASN A 39 5.593 2.452 -14.887 1.00 98.45 N
ATOM 288 CA ASN A 39 5.030 3.370 -15.872 1.00 98.45 C
ATOM 289 C ASN A 39 3.655 2.908 -16.345 1.00 98.45 C
ATOM 290 CB ASN A 39 5.977 3.528 -17.063 1.00 98.45 C
ATOM 291 O ASN A 39 3.485 1.753 -16.740 1.00 98.45 O
ATOM 292 CG ASN A 39 5.649 4.740 -17.913 1.00 98.45 C
ATOM 293 ND2 ASN A 39 6.559 5.707 -17.941 1.00 98.45 N
ATOM 294 OD1 ASN A 39 4.588 4.807 -18.538 1.00 98.45 O
ATOM 295 N TRP A 40 2.709 3.834 -16.255 1.00 97.83 N
ATOM 296 CA TRP A 40 1.381 3.391 -16.667 1.00 97.83 C
ATOM 297 C TRP A 40 0.670 4.475 -17.471 1.00 97.83 C
ATOM 298 CB TRP A 40 0.539 3.009 -15.446 1.00 97.83 C
ATOM 299 O TRP A 40 0.975 5.661 -17.331 1.00 97.83 O
ATOM 300 CG TRP A 40 0.285 4.145 -14.502 1.00 97.83 C
ATOM 301 CD1 TRP A 40 -0.823 4.946 -14.454 1.00 97.83 C
ATOM 302 CD2 TRP A 40 1.160 4.611 -13.471 1.00 97.83 C
ATOM 303 CE2 TRP A 40 0.519 5.697 -12.836 1.00 97.83 C
ATOM 304 CE3 TRP A 40 2.427 4.214 -13.020 1.00 97.83 C
ATOM 305 NE1 TRP A 40 -0.688 5.881 -13.455 1.00 97.83 N
ATOM 306 CH2 TRP A 40 2.341 5.983 -11.353 1.00 97.83 C
ATOM 307 CZ2 TRP A 40 1.102 6.392 -11.773 1.00 97.83 C
ATOM 308 CZ3 TRP A 40 3.005 4.906 -11.963 1.00 97.83 C
ATOM 309 N SER A 41 -0.050 4.052 -18.426 1.00 97.93 N
ATOM 310 CA SER A 41 -0.818 4.932 -19.301 1.00 97.93 C
ATOM 311 C SER A 41 -2.232 4.402 -19.514 1.00 97.93 C
ATOM 312 CB SER A 41 -0.116 5.093 -20.650 1.00 97.93 C
ATOM 313 O SER A 41 -2.415 3.289 -20.014 1.00 97.93 O
ATOM 314 OG SER A 41 -0.850 5.959 -21.498 1.00 97.93 O
ATOM 315 N ASN A 42 -3.236 5.212 -19.107 1.00 96.90 N
ATOM 316 CA ASN A 42 -4.635 4.815 -19.221 1.00 96.90 C
ATOM 317 C ASN A 42 -4.867 3.413 -18.666 1.00 96.90 C
ATOM 318 CB ASN A 42 -5.097 4.892 -20.678 1.00 96.90 C
ATOM 319 O ASN A 42 -5.504 2.581 -19.314 1.00 96.90 O
ATOM 320 CG ASN A 42 -5.081 6.307 -21.222 1.00 96.90 C
ATOM 321 ND2 ASN A 42 -4.690 6.453 -22.483 1.00 96.90 N
ATOM 322 OD1 ASN A 42 -5.415 7.261 -20.515 1.00 96.90 O
ATOM 323 N SER A 43 -4.269 3.189 -17.602 1.00 96.97 N
ATOM 324 CA SER A 43 -4.337 1.875 -16.970 1.00 96.97 C
ATOM 325 C SER A 43 -5.699 1.642 -16.324 1.00 96.97 C
ATOM 326 CB SER A 43 -3.234 1.726 -15.921 1.00 96.97 C
ATOM 327 O SER A 43 -6.452 2.590 -16.093 1.00 96.97 O
ATOM 328 OG SER A 43 -3.486 2.562 -14.804 1.00 96.97 O
ATOM 329 N GLY A 44 -6.094 0.425 -16.236 1.00 96.62 N
ATOM 330 CA GLY A 44 -7.090 0.056 -15.243 1.00 96.62 C
ATOM 331 C GLY A 44 -6.551 0.069 -13.825 1.00 96.62 C
ATOM 332 O GLY A 44 -5.930 1.046 -13.400 1.00 96.62 O
ATOM 333 N GLU A 45 -6.824 -0.937 -13.035 1.00 97.10 N
ATOM 334 CA GLU A 45 -6.299 -1.026 -11.676 1.00 97.10 C
ATOM 335 C GLU A 45 -5.030 -1.872 -11.628 1.00 97.10 C
ATOM 336 CB GLU A 45 -7.353 -1.604 -10.728 1.00 97.10 C
ATOM 337 O GLU A 45 -4.928 -2.887 -12.321 1.00 97.10 O
ATOM 338 CG GLU A 45 -6.948 -1.567 -9.262 1.00 97.10 C
ATOM 339 CD GLU A 45 -8.060 -2.003 -8.321 1.00 97.10 C
ATOM 340 OE1 GLU A 45 -7.885 -1.901 -7.086 1.00 97.10 O
ATOM 341 OE2 GLU A 45 -9.115 -2.450 -8.824 1.00 97.10 O
ATOM 342 N PHE A 46 -4.121 -1.335 -10.933 1.00 98.08 N
ATOM 343 CA PHE A 46 -2.930 -2.134 -10.667 1.00 98.08 C
ATOM 344 C PHE A 46 -2.340 -1.790 -9.304 1.00 98.08 C
ATOM 345 CB PHE A 46 -1.881 -1.919 -11.763 1.00 98.08 C
ATOM 346 O PHE A 46 -2.647 -0.740 -8.736 1.00 98.08 O
ATOM 347 CG PHE A 46 -1.201 -0.579 -11.698 1.00 98.08 C
ATOM 348 CD1 PHE A 46 -0.047 -0.405 -10.944 1.00 98.08 C
ATOM 349 CD2 PHE A 46 -1.717 0.509 -12.391 1.00 98.08 C
ATOM 350 CE1 PHE A 46 0.585 0.835 -10.882 1.00 98.08 C
ATOM 351 CE2 PHE A 46 -1.091 1.751 -12.334 1.00 98.08 C
ATOM 352 CZ PHE A 46 0.059 1.912 -11.578 1.00 98.08 C
ATOM 353 N VAL A 47 -1.524 -2.667 -8.760 1.00 98.42 N
ATOM 354 CA VAL A 47 -0.707 -2.490 -7.564 1.00 98.42 C
ATOM 355 C VAL A 47 0.636 -3.192 -7.747 1.00 98.42 C
ATOM 356 CB VAL A 47 -1.422 -3.025 -6.304 1.00 98.42 C
ATOM 357 O VAL A 47 0.683 -4.371 -8.108 1.00 98.42 O
ATOM 358 CG1 VAL A 47 -0.569 -2.791 -5.058 1.00 98.42 C
ATOM 359 CG2 VAL A 47 -2.793 -2.368 -6.148 1.00 98.42 C
ATOM 360 N GLY A 48 1.627 -2.486 -7.564 1.00 98.29 N
ATOM 361 CA GLY A 48 2.955 -3.075 -7.645 1.00 98.29 C
ATOM 362 C GLY A 48 3.931 -2.483 -6.646 1.00 98.29 C
ATOM 363 O GLY A 48 3.925 -1.273 -6.406 1.00 98.29 O
ATOM 364 N GLY A 49 4.820 -3.270 -6.129 1.00 98.51 N
ATOM 365 CA GLY A 49 5.805 -2.761 -5.188 1.00 98.51 C
ATOM 366 C GLY A 49 6.756 -3.830 -4.684 1.00 98.51 C
ATOM 367 O GLY A 49 6.746 -4.960 -5.176 1.00 98.51 O
ATOM 368 N LYS A 50 7.665 -3.452 -3.805 1.00 98.58 N
ATOM 369 CA LYS A 50 8.622 -4.328 -3.134 1.00 98.58 C
ATOM 370 C LYS A 50 8.545 -4.168 -1.619 1.00 98.58 C
ATOM 371 CB LYS A 50 10.044 -4.040 -3.619 1.00 98.58 C
ATOM 372 O LYS A 50 8.189 -3.099 -1.119 1.00 98.58 O
ATOM 373 CG LYS A 50 10.349 -4.591 -5.005 1.00 98.58 C
ATOM 374 CD LYS A 50 11.835 -4.506 -5.326 1.00 98.58 C
ATOM 375 CE LYS A 50 12.171 -5.231 -6.622 1.00 98.58 C
ATOM 376 NZ LYS A 50 13.620 -5.111 -6.965 1.00 98.58 N
ATOM 377 N GLY A 51 8.799 -5.237 -0.964 1.00 98.28 N
ATOM 378 CA GLY A 51 8.839 -5.243 0.490 1.00 98.28 C
ATOM 379 C GLY A 51 9.230 -6.589 1.070 1.00 98.28 C
ATOM 380 O GLY A 51 10.276 -7.140 0.723 1.00 98.28 O
ATOM 381 N TRP A 52 8.307 -7.035 1.952 1.00 98.31 N
ATOM 382 CA TRP A 52 8.603 -8.239 2.722 1.00 98.31 C
ATOM 383 C TRP A 52 7.433 -9.215 2.679 1.00 98.31 C
ATOM 384 CB TRP A 52 8.933 -7.881 4.174 1.00 98.31 C
ATOM 385 O TRP A 52 6.280 -8.805 2.525 1.00 98.31 O
ATOM 386 CG TRP A 52 10.106 -6.959 4.323 1.00 98.31 C
ATOM 387 CD1 TRP A 52 11.402 -7.310 4.578 1.00 98.31 C
ATOM 388 CD2 TRP A 52 10.087 -5.531 4.231 1.00 98.31 C
ATOM 389 CE2 TRP A 52 11.410 -5.082 4.440 1.00 98.31 C
ATOM 390 CE3 TRP A 52 9.080 -4.587 3.991 1.00 98.31 C
ATOM 391 NE1 TRP A 52 12.192 -6.186 4.649 1.00 98.31 N
ATOM 392 CH2 TRP A 52 10.747 -2.825 4.179 1.00 98.31 C
ATOM 393 CZ2 TRP A 52 11.751 -3.727 4.416 1.00 98.31 C
ATOM 394 CZ3 TRP A 52 9.421 -3.240 3.968 1.00 98.31 C
ATOM 395 N GLN A 53 7.716 -10.438 2.758 1.00 98.05 N
ATOM 396 CA GLN A 53 6.738 -11.507 2.928 1.00 98.05 C
ATOM 397 C GLN A 53 7.271 -12.599 3.850 1.00 98.05 C
ATOM 398 CB GLN A 53 6.353 -12.104 1.573 1.00 98.05 C
ATOM 399 O GLN A 53 8.144 -13.377 3.459 1.00 98.05 O
ATOM 400 CG GLN A 53 5.386 -13.276 1.670 1.00 98.05 C
ATOM 401 CD GLN A 53 4.037 -12.878 2.240 1.00 98.05 C
ATOM 402 NE2 GLN A 53 2.983 -13.553 1.796 1.00 98.05 N
ATOM 403 OE1 GLN A 53 3.944 -11.972 3.075 1.00 98.05 O
ATOM 404 N PRO A 54 6.701 -12.796 5.139 1.00 97.68 N
ATOM 405 CA PRO A 54 5.601 -11.970 5.641 1.00 97.68 C
ATOM 406 C PRO A 54 6.065 -10.594 6.116 1.00 97.68 C
ATOM 407 CB PRO A 54 5.046 -12.791 6.807 1.00 97.68 C
ATOM 408 O PRO A 54 7.264 -10.376 6.308 1.00 97.68 O
ATOM 409 CG PRO A 54 6.236 -13.492 7.381 1.00 97.68 C
ATOM 410 CD PRO A 54 7.158 -13.864 6.256 1.00 97.68 C
ATOM 411 N GLY A 55 5.215 -9.586 6.091 1.00 98.11 N
ATOM 412 CA GLY A 55 5.485 -8.340 6.789 1.00 98.11 C
ATOM 413 C GLY A 55 5.527 -8.497 8.298 1.00 98.11 C
ATOM 414 O GLY A 55 5.456 -9.615 8.812 1.00 98.11 O
ATOM 415 N THR A 56 5.822 -7.435 9.011 1.00 97.95 N
ATOM 416 CA THR A 56 5.801 -7.406 10.469 1.00 97.95 C
ATOM 417 C THR A 56 5.046 -6.180 10.975 1.00 97.95 C
ATOM 418 CB THR A 56 7.228 -7.408 11.048 1.00 97.95 C
ATOM 419 O THR A 56 4.836 -5.222 10.228 1.00 97.95 O
ATOM 420 CG2 THR A 56 8.032 -8.593 10.524 1.00 97.95 C
ATOM 421 OG1 THR A 56 7.890 -6.193 10.676 1.00 97.95 O
ATOM 422 N LYS A 57 4.635 -6.203 12.207 1.00 97.86 N
ATOM 423 CA LYS A 57 3.839 -5.129 12.793 1.00 97.86 C
ATOM 424 C LYS A 57 4.728 -3.991 13.285 1.00 97.86 C
ATOM 425 CB LYS A 57 2.985 -5.662 13.945 1.00 97.86 C
ATOM 426 O LYS A 57 4.236 -2.910 13.617 1.00 97.86 O
ATOM 427 CG LYS A 57 1.825 -6.541 13.500 1.00 97.86 C
ATOM 428 CD LYS A 57 0.979 -6.991 14.684 1.00 97.86 C
ATOM 429 CE LYS A 57 -0.204 -7.839 14.237 1.00 97.86 C
ATOM 430 NZ LYS A 57 -0.945 -8.413 15.399 1.00 97.86 N
ATOM 431 N ASN A 58 5.985 -4.166 13.188 1.00 98.05 N
ATOM 432 CA ASN A 58 6.801 -3.153 13.849 1.00 98.05 C
ATOM 433 C ASN A 58 7.989 -2.739 12.986 1.00 98.05 C
ATOM 434 CB ASN A 58 7.283 -3.657 15.211 1.00 98.05 C
ATOM 435 O ASN A 58 9.030 -2.335 13.508 1.00 98.05 O
ATOM 436 CG ASN A 58 8.134 -4.907 15.103 1.00 98.05 C
ATOM 437 ND2 ASN A 58 8.652 -5.372 16.234 1.00 98.05 N
ATOM 438 OD1 ASN A 58 8.324 -5.451 14.012 1.00 98.05 O
ATOM 439 N LYS A 59 7.866 -2.886 11.689 1.00 97.83 N
ATOM 440 CA LYS A 59 8.974 -2.541 10.802 1.00 97.83 C
ATOM 441 C LYS A 59 9.076 -1.030 10.613 1.00 97.83 C
ATOM 442 CB LYS A 59 8.809 -3.229 9.446 1.00 97.83 C
ATOM 443 O LYS A 59 8.059 -0.337 10.546 1.00 97.83 O
ATOM 444 CG LYS A 59 10.032 -3.123 8.546 1.00 97.83 C
ATOM 445 CD LYS A 59 9.913 -4.036 7.332 1.00 97.83 C
ATOM 446 CE LYS A 59 9.943 -5.505 7.731 1.00 97.83 C
ATOM 447 NZ LYS A 59 11.328 -5.963 8.052 1.00 97.83 N
ATOM 448 N VAL A 60 10.254 -0.532 10.578 1.00 98.66 N
ATOM 449 CA VAL A 60 10.521 0.815 10.086 1.00 98.66 C
ATOM 450 C VAL A 60 10.943 0.756 8.619 1.00 98.66 C
ATOM 451 CB VAL A 60 11.609 1.521 10.925 1.00 98.66 C
ATOM 452 O VAL A 60 12.024 0.256 8.298 1.00 98.66 O
ATOM 453 CG1 VAL A 60 11.874 2.928 10.393 1.00 98.66 C
ATOM 454 CG2 VAL A 60 11.199 1.571 12.396 1.00 98.66 C
ATOM 455 N ILE A 61 10.133 1.262 7.757 1.00 98.74 N
ATOM 456 CA ILE A 61 10.319 1.165 6.313 1.00 98.74 C
ATOM 457 C ILE A 61 10.885 2.478 5.777 1.00 98.74 C
ATOM 458 CB ILE A 61 8.996 0.818 5.594 1.00 98.74 C
ATOM 459 O ILE A 61 10.306 3.545 5.992 1.00 98.74 O
ATOM 460 CG1 ILE A 61 8.463 -0.534 6.081 1.00 98.74 C
ATOM 461 CG2 ILE A 61 9.191 0.817 4.075 1.00 98.74 C
ATOM 462 CD1 ILE A 61 7.046 -0.843 5.619 1.00 98.74 C
ATOM 463 N ASN A 62 11.978 2.399 5.134 1.00 98.71 N
ATOM 464 CA ASN A 62 12.534 3.546 4.423 1.00 98.71 C
ATOM 465 C ASN A 62 12.277 3.454 2.922 1.00 98.71 C
ATOM 466 CB ASN A 62 14.034 3.673 4.699 1.00 98.71 C
ATOM 467 O ASN A 62 12.326 2.366 2.345 1.00 98.71 O
ATOM 468 CG ASN A 62 14.342 3.876 6.169 1.00 98.71 C
ATOM 469 ND2 ASN A 62 14.997 2.895 6.779 1.00 98.71 N
ATOM 470 OD1 ASN A 62 13.994 4.906 6.753 1.00 98.71 O
ATOM 471 N PHE A 63 11.858 4.491 2.339 1.00 98.61 N
ATOM 472 CA PHE A 63 11.644 4.519 0.897 1.00 98.61 C
ATOM 473 C PHE A 63 12.016 5.880 0.321 1.00 98.61 C
ATOM 474 CB PHE A 63 10.186 4.187 0.562 1.00 98.61 C
ATOM 475 O PHE A 63 12.055 6.877 1.045 1.00 98.61 O
ATOM 476 CG PHE A 63 9.204 5.226 1.032 1.00 98.61 C
ATOM 477 CD1 PHE A 63 8.704 6.178 0.152 1.00 98.61 C
ATOM 478 CD2 PHE A 63 8.780 5.250 2.354 1.00 98.61 C
ATOM 479 CE1 PHE A 63 7.795 7.141 0.585 1.00 98.61 C
ATOM 480 CE2 PHE A 63 7.872 6.209 2.794 1.00 98.61 C
ATOM 481 CZ PHE A 63 7.381 7.154 1.907 1.00 98.61 C
ATOM 482 N SER A 64 12.449 5.883 -0.814 1.00 98.64 N
ATOM 483 CA SER A 64 12.804 7.093 -1.549 1.00 98.64 C
ATOM 484 C SER A 64 12.536 6.932 -3.041 1.00 98.64 C
ATOM 485 CB SER A 64 14.275 7.445 -1.322 1.00 98.64 C
ATOM 486 O SER A 64 12.440 5.810 -3.543 1.00 98.64 O
ATOM 487 OG SER A 64 15.120 6.430 -1.834 1.00 98.64 O
ATOM 488 N GLY A 65 12.175 7.959 -3.720 1.00 98.00 N
ATOM 489 CA GLY A 65 11.999 7.919 -5.163 1.00 98.00 C
ATOM 490 C GLY A 65 11.027 8.965 -5.674 1.00 98.00 C
ATOM 491 O GLY A 65 10.775 9.967 -5.002 1.00 98.00 O
ATOM 492 N SER A 66 10.732 8.879 -6.866 1.00 98.49 N
ATOM 493 CA SER A 66 9.784 9.781 -7.512 1.00 98.49 C
ATOM 494 C SER A 66 8.434 9.105 -7.723 1.00 98.49 C
ATOM 495 CB SER A 66 10.335 10.268 -8.853 1.00 98.49 C
ATOM 496 O SER A 66 8.371 7.909 -8.015 1.00 98.49 O
ATOM 497 OG SER A 66 10.593 9.175 -9.717 1.00 98.49 O
ATOM 498 N TYR A 67 7.411 9.789 -7.454 1.00 98.63 N
ATOM 499 CA TYR A 67 6.013 9.421 -7.650 1.00 98.63 C
ATOM 500 C TYR A 67 5.265 10.509 -8.411 1.00 98.63 C
ATOM 501 CB TYR A 67 5.331 9.161 -6.304 1.00 98.63 C
ATOM 502 O TYR A 67 4.953 11.563 -7.852 1.00 98.63 O
ATOM 503 CG TYR A 67 3.848 8.905 -6.414 1.00 98.63 C
ATOM 504 CD1 TYR A 67 3.362 7.807 -7.121 1.00 98.63 C
ATOM 505 CD2 TYR A 67 2.930 9.759 -5.813 1.00 98.63 C
ATOM 506 CE1 TYR A 67 1.996 7.567 -7.227 1.00 98.63 C
ATOM 507 CE2 TYR A 67 1.561 9.530 -5.913 1.00 98.63 C
ATOM 508 OH TYR A 67 -0.249 8.200 -6.722 1.00 98.63 O
ATOM 509 CZ TYR A 67 1.105 8.433 -6.620 1.00 98.63 C
ATOM 510 N ASN A 68 5.003 10.288 -9.646 1.00 98.41 N
ATOM 511 CA ASN A 68 4.451 11.296 -10.545 1.00 98.41 C
ATOM 512 C ASN A 68 3.148 10.824 -11.184 1.00 98.41 C
ATOM 513 CB ASN A 68 5.468 11.667 -11.626 1.00 98.41 C
ATOM 514 O ASN A 68 3.104 10.548 -12.384 1.00 98.41 O
ATOM 515 CG ASN A 68 6.793 12.126 -11.048 1.00 98.41 C
ATOM 516 ND2 ASN A 68 7.844 11.351 -11.285 1.00 98.41 N
ATOM 517 OD1 ASN A 68 6.870 13.169 -10.393 1.00 98.41 O
ATOM 518 N PRO A 69 2.049 10.802 -10.372 1.00 98.23 N
ATOM 519 CA PRO A 69 0.775 10.347 -10.932 1.00 98.23 C
ATOM 520 C PRO A 69 0.090 11.414 -11.783 1.00 98.23 C
ATOM 521 CB PRO A 69 -0.060 10.021 -9.691 1.00 98.23 C
ATOM 522 O PRO A 69 0.296 12.611 -11.563 1.00 98.23 O
ATOM 523 CG PRO A 69 0.406 10.989 -8.652 1.00 98.23 C
ATOM 524 CD PRO A 69 1.883 11.200 -8.825 1.00 98.23 C
ATOM 525 N ASN A 70 -0.434 11.079 -12.883 1.00 98.19 N
ATOM 526 CA ASN A 70 -1.456 11.842 -13.591 1.00 98.19 C
ATOM 527 C ASN A 70 -2.829 11.188 -13.468 1.00 98.19 C
ATOM 528 CB ASN A 70 -1.078 12.009 -15.064 1.00 98.19 C
ATOM 529 O ASN A 70 -3.124 10.217 -14.166 1.00 98.19 O
ATOM 530 CG ASN A 70 -2.030 12.922 -15.812 1.00 98.19 C
ATOM 531 ND2 ASN A 70 -1.827 13.048 -17.118 1.00 98.19 N
ATOM 532 OD1 ASN A 70 -2.938 13.510 -15.220 1.00 98.19 O
ATOM 533 N GLY A 71 -3.640 11.628 -12.498 1.00 97.67 N
ATOM 534 CA GLY A 71 -4.945 11.070 -12.181 1.00 97.67 C
ATOM 535 C GLY A 71 -4.972 10.333 -10.855 1.00 97.67 C
ATOM 536 O GLY A 71 -4.284 10.722 -9.908 1.00 97.67 O
ATOM 537 N ASN A 72 -5.802 9.254 -10.725 1.00 98.27 N
ATOM 538 CA ASN A 72 -6.042 8.484 -9.510 1.00 98.27 C
ATOM 539 C ASN A 72 -4.952 7.439 -9.284 1.00 98.27 C
ATOM 540 CB ASN A 72 -7.417 7.815 -9.560 1.00 98.27 C
ATOM 541 O ASN A 72 -4.915 6.417 -9.971 1.00 98.27 O
ATOM 542 CG ASN A 72 -7.825 7.219 -8.227 1.00 98.27 C
ATOM 543 ND2 ASN A 72 -9.026 6.654 -8.173 1.00 98.27 N
ATOM 544 OD1 ASN A 72 -7.068 7.266 -7.254 1.00 98.27 O
ATOM 545 N SER A 73 -4.101 7.709 -8.345 1.00 98.63 N
ATOM 546 CA SER A 73 -3.013 6.826 -7.939 1.00 98.63 C
ATOM 547 C SER A 73 -2.550 7.136 -6.519 1.00 98.63 C
ATOM 548 CB SER A 73 -1.834 6.948 -8.906 1.00 98.63 C
ATOM 549 O SER A 73 -2.737 8.252 -6.029 1.00 98.63 O
ATOM 550 OG SER A 73 -0.736 6.171 -8.460 1.00 98.63 O
ATOM 551 N TYR A 74 -1.973 6.151 -5.853 1.00 97.39 N
ATOM 552 CA TYR A 74 -1.400 6.527 -4.566 1.00 97.39 C
ATOM 553 C TYR A 74 -0.171 5.682 -4.249 1.00 97.39 C
ATOM 554 CB TYR A 74 -2.438 6.377 -3.450 1.00 97.39 C
ATOM 555 O TYR A 74 0.015 4.606 -4.822 1.00 97.39 O
ATOM 556 CG TYR A 74 -3.392 5.225 -3.659 1.00 97.39 C
ATOM 557 CD1 TYR A 74 -3.095 3.954 -3.173 1.00 97.39 C
ATOM 558 CD2 TYR A 74 -4.589 5.406 -4.343 1.00 97.39 C
ATOM 559 CE1 TYR A 74 -3.970 2.889 -3.365 1.00 97.39 C
ATOM 560 CE2 TYR A 74 -5.471 4.349 -4.540 1.00 97.39 C
ATOM 561 OH TYR A 74 -6.023 2.046 -4.240 1.00 97.39 O
ATOM 562 CZ TYR A 74 -5.153 3.096 -4.048 1.00 97.39 C
ATOM 563 N LEU A 75 0.796 6.240 -3.520 1.00 98.83 N
ATOM 564 CA LEU A 75 2.000 5.680 -2.916 1.00 98.83 C
ATOM 565 C LEU A 75 1.777 5.378 -1.438 1.00 98.83 C
ATOM 566 CB LEU A 75 3.180 6.642 -3.081 1.00 98.83 C
ATOM 567 O LEU A 75 1.464 6.279 -0.657 1.00 98.83 O
ATOM 568 CG LEU A 75 4.491 6.229 -2.410 1.00 98.83 C
ATOM 569 CD1 LEU A 75 5.023 4.943 -3.033 1.00 98.83 C
ATOM 570 CD2 LEU A 75 5.522 7.347 -2.516 1.00 98.83 C
ATOM 571 N SER A 76 1.991 4.148 -1.113 1.00 98.71 N
ATOM 572 CA SER A 76 1.644 3.765 0.252 1.00 98.71 C
ATOM 573 C SER A 76 2.482 2.581 0.723 1.00 98.71 C
ATOM 574 CB SER A 76 0.158 3.420 0.351 1.00 98.71 C
ATOM 575 O SER A 76 3.004 1.819 -0.093 1.00 98.71 O
ATOM 576 OG SER A 76 -0.637 4.458 -0.195 1.00 98.71 O
ATOM 577 N VAL A 77 2.664 2.512 1.993 1.00 98.79 N
ATOM 578 CA VAL A 77 2.930 1.198 2.570 1.00 98.79 C
ATOM 579 C VAL A 77 1.656 0.356 2.546 1.00 98.79 C
ATOM 580 CB VAL A 77 3.468 1.310 4.014 1.00 98.79 C
ATOM 581 O VAL A 77 0.631 0.754 3.103 1.00 98.79 O
ATOM 582 CG1 VAL A 77 3.652 -0.075 4.630 1.00 98.79 C
ATOM 583 CG2 VAL A 77 4.783 2.087 4.033 1.00 98.79 C
ATOM 584 N TYR A 78 1.681 -0.763 1.948 1.00 98.73 N
ATOM 585 CA TYR A 78 0.520 -1.589 1.636 1.00 98.73 C
ATOM 586 C TYR A 78 0.727 -3.022 2.112 1.00 98.73 C
ATOM 587 CB TYR A 78 0.238 -1.575 0.131 1.00 98.73 C
ATOM 588 O TYR A 78 1.827 -3.567 2.002 1.00 98.73 O
ATOM 589 CG TYR A 78 -0.742 -2.633 -0.313 1.00 98.73 C
ATOM 590 CD1 TYR A 78 -2.113 -2.458 -0.140 1.00 98.73 C
ATOM 591 CD2 TYR A 78 -0.299 -3.811 -0.905 1.00 98.73 C
ATOM 592 CE1 TYR A 78 -3.020 -3.432 -0.546 1.00 98.73 C
ATOM 593 CE2 TYR A 78 -1.196 -4.792 -1.315 1.00 98.73 C
ATOM 594 OH TYR A 78 -3.445 -5.561 -1.535 1.00 98.73 O
ATOM 595 CZ TYR A 78 -2.553 -4.593 -1.132 1.00 98.73 C
ATOM 596 N GLY A 79 -0.319 -3.612 2.622 1.00 98.55 N
ATOM 597 CA GLY A 79 -0.183 -5.005 3.018 1.00 98.55 C
ATOM 598 C GLY A 79 -1.508 -5.659 3.362 1.00 98.55 C
ATOM 599 O GLY A 79 -2.572 -5.096 3.095 1.00 98.55 O
ATOM 600 N TRP A 80 -1.406 -6.879 3.751 1.00 98.57 N
ATOM 601 CA TRP A 80 -2.535 -7.703 4.172 1.00 98.57 C
ATOM 602 C TRP A 80 -2.250 -8.373 5.512 1.00 98.57 C
ATOM 603 CB TRP A 80 -2.852 -8.763 3.114 1.00 98.57 C
ATOM 604 O TRP A 80 -1.090 -8.566 5.883 1.00 98.57 O
ATOM 605 CG TRP A 80 -3.398 -8.203 1.835 1.00 98.57 C
ATOM 606 CD1 TRP A 80 -2.685 -7.655 0.805 1.00 98.57 C
ATOM 607 CD2 TRP A 80 -4.775 -8.133 1.452 1.00 98.57 C
ATOM 608 CE2 TRP A 80 -4.824 -7.530 0.176 1.00 98.57 C
ATOM 609 CE3 TRP A 80 -5.973 -8.522 2.065 1.00 98.57 C
ATOM 610 NE1 TRP A 80 -3.537 -7.248 -0.196 1.00 98.57 N
ATOM 611 CH2 TRP A 80 -7.184 -7.698 0.123 1.00 98.57 C
ATOM 612 CZ2 TRP A 80 -6.026 -7.307 -0.499 1.00 98.57 C
ATOM 613 CZ3 TRP A 80 -7.169 -8.300 1.392 1.00 98.57 C
ATOM 614 N SER A 81 -3.281 -8.641 6.221 1.00 98.54 N
ATOM 615 CA SER A 81 -3.246 -9.607 7.315 1.00 98.54 C
ATOM 616 C SER A 81 -4.274 -10.714 7.108 1.00 98.54 C
ATOM 617 CB SER A 81 -3.497 -8.910 8.653 1.00 98.54 C
ATOM 618 O SER A 81 -5.211 -10.559 6.322 1.00 98.54 O
ATOM 619 OG SER A 81 -4.858 -8.533 8.776 1.00 98.54 O
ATOM 620 N ARG A 82 -3.998 -11.814 7.688 1.00 98.17 N
ATOM 621 CA ARG A 82 -4.908 -12.955 7.676 1.00 98.17 C
ATOM 622 C ARG A 82 -5.455 -13.233 9.072 1.00 98.17 C
ATOM 623 CB ARG A 82 -4.203 -14.199 7.131 1.00 98.17 C
ATOM 624 O ARG A 82 -4.862 -12.820 10.070 1.00 98.17 O
ATOM 625 CG ARG A 82 -3.707 -14.050 5.702 1.00 98.17 C
ATOM 626 CD ARG A 82 -2.925 -15.274 5.245 1.00 98.17 C
ATOM 627 NE ARG A 82 -2.414 -15.111 3.887 1.00 98.17 N
ATOM 628 NH1 ARG A 82 -4.371 -15.768 2.850 1.00 98.17 N
ATOM 629 NH2 ARG A 82 -2.549 -15.169 1.595 1.00 98.17 N
ATOM 630 CZ ARG A 82 -3.113 -15.350 2.781 1.00 98.17 C
ATOM 631 N ASN A 83 -6.737 -13.640 9.158 1.00 97.11 N
ATOM 632 CA ASN A 83 -7.365 -14.064 10.405 1.00 97.11 C
ATOM 633 C ASN A 83 -7.334 -12.957 11.454 1.00 97.11 C
ATOM 634 CB ASN A 83 -6.688 -15.326 10.944 1.00 97.11 C
ATOM 635 O ASN A 83 -6.864 -13.169 12.573 1.00 97.11 O
ATOM 636 CG ASN A 83 -6.752 -16.486 9.970 1.00 97.11 C
ATOM 637 ND2 ASN A 83 -5.619 -17.145 9.757 1.00 97.11 N
ATOM 638 OD1 ASN A 83 -7.811 -16.786 9.412 1.00 97.11 O
ATOM 639 N PRO A 84 -8.080 -11.953 11.177 1.00 97.11 N
ATOM 640 CA PRO A 84 -9.026 -11.672 10.094 1.00 97.11 C
ATOM 641 C PRO A 84 -8.342 -11.142 8.836 1.00 97.11 C
ATOM 642 CB PRO A 84 -9.951 -10.613 10.699 1.00 97.11 C
ATOM 643 O PRO A 84 -7.194 -10.693 8.895 1.00 97.11 O
ATOM 644 CG PRO A 84 -9.079 -9.827 11.623 1.00 97.11 C
ATOM 645 CD PRO A 84 -8.092 -10.763 12.260 1.00 97.11 C
ATOM 646 N LEU A 85 -8.898 -11.237 7.686 1.00 98.56 N
ATOM 647 CA LEU A 85 -8.415 -10.720 6.410 1.00 98.56 C
ATOM 648 C LEU A 85 -8.566 -9.204 6.346 1.00 98.56 C
ATOM 649 CB LEU A 85 -9.171 -11.370 5.248 1.00 98.56 C
ATOM 650 O LEU A 85 -9.685 -8.687 6.340 1.00 98.56 O
ATOM 651 CG LEU A 85 -8.664 -11.043 3.843 1.00 98.56 C
ATOM 652 CD1 LEU A 85 -7.229 -11.529 3.671 1.00 98.56 C
ATOM 653 CD2 LEU A 85 -9.574 -11.665 2.788 1.00 98.56 C
ATOM 654 N ILE A 86 -7.508 -8.575 6.385 1.00 98.64 N
ATOM 655 CA ILE A 86 -7.484 -7.116 6.385 1.00 98.64 C
ATOM 656 C ILE A 86 -6.524 -6.616 5.308 1.00 98.64 C
ATOM 657 CB ILE A 86 -7.077 -6.557 7.767 1.00 98.64 C
ATOM 658 O ILE A 86 -5.404 -7.117 5.185 1.00 98.64 O
ATOM 659 CG1 ILE A 86 -8.025 -7.078 8.853 1.00 98.64 C
ATOM 660 CG2 ILE A 86 -7.058 -5.026 7.745 1.00 98.64 C
ATOM 661 CD1 ILE A 86 -9.484 -6.702 8.635 1.00 98.64 C
ATOM 662 N GLU A 87 -6.937 -5.674 4.581 1.00 98.59 N
ATOM 663 CA GLU A 87 -6.083 -4.890 3.693 1.00 98.59 C
ATOM 664 C GLU A 87 -5.755 -3.530 4.302 1.00 98.59 C
ATOM 665 CB GLU A 87 -6.750 -4.708 2.327 1.00 98.59 C
ATOM 666 O GLU A 87 -6.654 -2.802 4.728 1.00 98.59 O
ATOM 667 CG GLU A 87 -5.845 -4.076 1.280 1.00 98.59 C
ATOM 668 CD GLU A 87 -6.488 -3.990 -0.095 1.00 98.59 C
ATOM 669 OE1 GLU A 87 -5.752 -3.936 -1.107 1.00 98.59 O
ATOM 670 OE2 GLU A 87 -7.737 -3.974 -0.161 1.00 98.59 O
ATOM 671 N TYR A 88 -4.499 -3.201 4.402 1.00 98.62 N
ATOM 672 CA TYR A 88 -4.215 -1.928 5.054 1.00 98.62 C
ATOM 673 C TYR A 88 -3.316 -1.058 4.184 1.00 98.62 C
ATOM 674 CB TYR A 88 -3.558 -2.157 6.419 1.00 98.62 C
ATOM 675 O TYR A 88 -2.591 -1.567 3.326 1.00 98.62 O
ATOM 676 CG TYR A 88 -2.231 -2.872 6.341 1.00 98.62 C
ATOM 677 CD1 TYR A 88 -1.067 -2.186 6.003 1.00 98.62 C
ATOM 678 CD2 TYR A 88 -2.139 -4.234 6.604 1.00 98.62 C
ATOM 679 CE1 TYR A 88 0.158 -2.841 5.928 1.00 98.62 C
ATOM 680 CE2 TYR A 88 -0.920 -4.900 6.533 1.00 98.62 C
ATOM 681 OH TYR A 88 1.431 -4.850 6.122 1.00 98.62 O
ATOM 682 CZ TYR A 88 0.222 -4.196 6.195 1.00 98.62 C
ATOM 683 N TYR A 89 -3.441 0.256 4.406 1.00 98.71 N
ATOM 684 CA TYR A 89 -2.702 1.280 3.676 1.00 98.71 C
ATOM 685 C TYR A 89 -2.184 2.357 4.622 1.00 98.71 C
ATOM 686 CB TYR A 89 -3.585 1.914 2.597 1.00 98.71 C
ATOM 687 O TYR A 89 -2.951 2.932 5.398 1.00 98.71 O
ATOM 688 CG TYR A 89 -4.069 0.934 1.556 1.00 98.71 C
ATOM 689 CD1 TYR A 89 -5.140 0.083 1.817 1.00 98.71 C
ATOM 690 CD2 TYR A 89 -3.455 0.857 0.310 1.00 98.71 C
ATOM 691 CE1 TYR A 89 -5.588 -0.823 0.861 1.00 98.71 C
ATOM 692 CE2 TYR A 89 -3.895 -0.045 -0.653 1.00 98.71 C
ATOM 693 OH TYR A 89 -5.399 -1.774 -1.320 1.00 98.71 O
ATOM 694 CZ TYR A 89 -4.960 -0.879 -0.370 1.00 98.71 C
ATOM 695 N ILE A 90 -0.944 2.559 4.625 1.00 98.77 N
ATOM 696 CA ILE A 90 -0.379 3.809 5.120 1.00 98.77 C
ATOM 697 C ILE A 90 0.006 4.703 3.943 1.00 98.77 C
ATOM 698 CB ILE A 90 0.849 3.556 6.024 1.00 98.77 C
ATOM 699 O ILE A 90 1.069 4.527 3.343 1.00 98.77 O
ATOM 700 CG1 ILE A 90 0.492 2.573 7.145 1.00 98.77 C
ATOM 701 CG2 ILE A 90 1.378 4.873 6.599 1.00 98.77 C
ATOM 702 CD1 ILE A 90 1.700 1.999 7.873 1.00 98.77 C
ATOM 703 N VAL A 91 -0.886 5.608 3.579 1.00 98.87 N
ATOM 704 CA VAL A 91 -0.813 6.378 2.342 1.00 98.87 C
ATOM 705 C VAL A 91 0.133 7.562 2.525 1.00 98.87 C
ATOM 706 CB VAL A 91 -2.208 6.873 1.898 1.00 98.87 C
ATOM 707 O VAL A 91 -0.134 8.459 3.329 1.00 98.87 O
ATOM 708 CG1 VAL A 91 -2.105 7.700 0.618 1.00 98.87 C
ATOM 709 CG2 VAL A 91 -3.154 5.691 1.699 1.00 98.87 C
ATOM 710 N GLU A 92 1.157 7.608 1.768 1.00 98.69 N
ATOM 711 CA GLU A 92 2.169 8.653 1.889 1.00 98.69 C
ATOM 712 C GLU A 92 1.942 9.761 0.864 1.00 98.69 C
ATOM 713 CB GLU A 92 3.572 8.064 1.725 1.00 98.69 C
ATOM 714 O GLU A 92 2.326 10.911 1.091 1.00 98.69 O
ATOM 715 CG GLU A 92 3.988 7.141 2.861 1.00 98.69 C
ATOM 716 CD GLU A 92 4.248 7.875 4.167 1.00 98.69 C
ATOM 717 OE1 GLU A 92 3.479 7.680 5.136 1.00 98.69 O
ATOM 718 OE2 GLU A 92 5.227 8.652 4.221 1.00 98.69 O
ATOM 719 N ASN A 93 1.403 9.427 -0.330 1.00 98.67 N
ATOM 720 CA ASN A 93 1.104 10.356 -1.415 1.00 98.67 C
ATOM 721 C ASN A 93 0.005 9.818 -2.327 1.00 98.67 C
ATOM 722 CB ASN A 93 2.366 10.658 -2.225 1.00 98.67 C
ATOM 723 O ASN A 93 -0.163 8.604 -2.454 1.00 98.67 O
ATOM 724 CG ASN A 93 2.292 11.990 -2.946 1.00 98.67 C
ATOM 725 ND2 ASN A 93 3.448 12.591 -3.203 1.00 98.67 N
ATOM 726 OD1 ASN A 93 1.204 12.475 -3.269 1.00 98.67 O
ATOM 727 N PHE A 94 -0.879 10.657 -2.758 1.00 98.50 N
ATOM 728 CA PHE A 94 -1.882 10.259 -3.738 1.00 98.50 C
ATOM 729 C PHE A 94 -2.121 11.372 -4.752 1.00 98.50 C
ATOM 730 CB PHE A 94 -3.197 9.890 -3.044 1.00 98.50 C
ATOM 731 O PHE A 94 -1.692 12.509 -4.545 1.00 98.50 O
ATOM 732 CG PHE A 94 -3.737 10.974 -2.151 1.00 98.50 C
ATOM 733 CD1 PHE A 94 -4.374 12.085 -2.691 1.00 98.50 C
ATOM 734 CD2 PHE A 94 -3.608 10.882 -0.772 1.00 98.50 C
ATOM 735 CE1 PHE A 94 -4.875 13.090 -1.866 1.00 98.50 C
ATOM 736 CE2 PHE A 94 -4.106 11.882 0.058 1.00 98.50 C
ATOM 737 CZ PHE A 94 -4.738 12.986 -0.491 1.00 98.50 C
ATOM 738 N GLY A 95 -2.700 11.023 -5.883 1.00 97.93 N
ATOM 739 CA GLY A 95 -2.992 11.972 -6.946 1.00 97.93 C
ATOM 740 C GLY A 95 -4.291 12.726 -6.732 1.00 97.93 C
ATOM 741 O GLY A 95 -4.474 13.378 -5.701 1.00 97.93 O
ATOM 742 N THR A 96 -5.172 12.638 -7.646 1.00 97.89 N
ATOM 743 CA THR A 96 -6.338 13.512 -7.712 1.00 97.89 C
ATOM 744 C THR A 96 -7.453 12.996 -6.806 1.00 97.89 C
ATOM 745 CB THR A 96 -6.862 13.637 -9.155 1.00 97.89 C
ATOM 746 O THR A 96 -8.450 13.687 -6.586 1.00 97.89 O
ATOM 747 CG2 THR A 96 -5.858 14.363 -10.043 1.00 97.89 C
ATOM 748 OG1 THR A 96 -7.094 12.327 -9.687 1.00 97.89 O
ATOM 749 N TYR A 97 -7.317 11.833 -6.296 1.00 97.44 N
ATOM 750 CA TYR A 97 -8.371 11.229 -5.488 1.00 97.44 C
ATOM 751 C TYR A 97 -7.826 10.759 -4.145 1.00 97.44 C
ATOM 752 CB TYR A 97 -9.012 10.053 -6.232 1.00 97.44 C
ATOM 753 O TYR A 97 -6.841 10.019 -4.092 1.00 97.44 O
ATOM 754 CG TYR A 97 -10.141 9.398 -5.473 1.00 97.44 C
ATOM 755 CD1 TYR A 97 -11.426 9.936 -5.497 1.00 97.44 C
ATOM 756 CD2 TYR A 97 -9.925 8.242 -4.731 1.00 97.44 C
ATOM 757 CE1 TYR A 97 -12.469 9.337 -4.798 1.00 97.44 C
ATOM 758 CE2 TYR A 97 -10.960 7.635 -4.028 1.00 97.44 C
ATOM 759 OH TYR A 97 -13.256 7.592 -3.375 1.00 97.44 O
ATOM 760 CZ TYR A 97 -12.227 8.189 -4.068 1.00 97.44 C
ATOM 761 N ASN A 98 -8.382 11.220 -3.106 1.00 97.98 N
ATOM 762 CA ASN A 98 -8.112 10.695 -1.771 1.00 97.98 C
ATOM 763 C ASN A 98 -8.784 9.343 -1.554 1.00 97.98 C
ATOM 764 CB ASN A 98 -8.565 11.691 -0.702 1.00 97.98 C
ATOM 765 O ASN A 98 -10.011 9.260 -1.473 1.00 97.98 O
ATOM 766 CG ASN A 98 -8.146 11.279 0.696 1.00 97.98 C
ATOM 767 ND2 ASN A 98 -7.919 12.260 1.561 1.00 97.98 N
ATOM 768 OD1 ASN A 98 -8.026 10.088 0.995 1.00 97.98 O
ATOM 769 N PRO A 99 -8.006 8.322 -1.376 1.00 96.14 N
ATOM 770 CA PRO A 99 -8.574 6.973 -1.326 1.00 96.14 C
ATOM 771 C PRO A 99 -9.472 6.756 -0.111 1.00 96.14 C
ATOM 772 CB PRO A 99 -7.338 6.072 -1.260 1.00 96.14 C
ATOM 773 O PRO A 99 -10.192 5.756 -0.041 1.00 96.14 O
ATOM 774 CG PRO A 99 -6.283 6.918 -0.622 1.00 96.14 C
ATOM 775 CD PRO A 99 -6.484 8.341 -1.059 1.00 96.14 C
ATOM 776 N SER A 100 -9.429 7.720 0.800 1.00 96.14 N
ATOM 777 CA SER A 100 -10.279 7.585 1.977 1.00 96.14 C
ATOM 778 C SER A 100 -11.646 8.222 1.748 1.00 96.14 C
ATOM 779 CB SER A 100 -9.611 8.219 3.198 1.00 96.14 C
ATOM 780 O SER A 100 -12.481 8.256 2.655 1.00 96.14 O
ATOM 781 OG SER A 100 -9.416 9.609 2.999 1.00 96.14 O
ATOM 782 N THR A 101 -11.842 8.767 0.583 1.00 95.74 N
ATOM 783 CA THR A 101 -13.133 9.371 0.275 1.00 95.74 C
ATOM 784 C THR A 101 -14.263 8.365 0.474 1.00 95.74 C
ATOM 785 CB THR A 101 -13.168 9.908 -1.168 1.00 95.74 C
ATOM 786 O THR A 101 -14.229 7.267 -0.085 1.00 95.74 O
ATOM 787 CG2 THR A 101 -14.526 10.521 -1.494 1.00 95.74 C
ATOM 788 OG1 THR A 101 -12.155 10.909 -1.324 1.00 95.74 O
ATOM 789 N GLY A 102 -15.238 8.677 1.251 1.00 95.92 N
ATOM 790 CA GLY A 102 -16.382 7.828 1.542 1.00 95.92 C
ATOM 791 C GLY A 102 -16.161 6.918 2.736 1.00 95.92 C
ATOM 792 O GLY A 102 -17.077 6.212 3.163 1.00 95.92 O
ATOM 793 N ALA A 103 -14.933 6.910 3.238 1.00 97.40 N
ATOM 794 CA ALA A 103 -14.613 6.056 4.379 1.00 97.40 C
ATOM 795 C ALA A 103 -14.993 6.732 5.694 1.00 97.40 C
ATOM 796 CB ALA A 103 -13.129 5.698 4.378 1.00 97.40 C
ATOM 797 O ALA A 103 -15.175 7.951 5.742 1.00 97.40 O
ATOM 798 N THR A 104 -15.246 5.981 6.756 1.00 97.66 N
ATOM 799 CA THR A 104 -15.542 6.487 8.092 1.00 97.66 C
ATOM 800 C THR A 104 -14.258 6.876 8.819 1.00 97.66 C
ATOM 801 CB THR A 104 -16.313 5.446 8.925 1.00 97.66 C
ATOM 802 O THR A 104 -13.396 6.029 9.063 1.00 97.66 O
ATOM 803 CG2 THR A 104 -16.671 5.998 10.300 1.00 97.66 C
ATOM 804 OG1 THR A 104 -17.518 5.089 8.237 1.00 97.66 O
ATOM 805 N LYS A 105 -14.150 8.088 9.188 1.00 98.34 N
ATOM 806 CA LYS A 105 -12.997 8.544 9.960 1.00 98.34 C
ATOM 807 C LYS A 105 -13.071 8.052 11.402 1.00 98.34 C
ATOM 808 CB LYS A 105 -12.903 10.071 9.932 1.00 98.34 C
ATOM 809 O LYS A 105 -14.099 8.206 12.064 1.00 98.34 O
ATOM 810 CG LYS A 105 -11.667 10.627 10.623 1.00 98.34 C
ATOM 811 CD LYS A 105 -11.563 12.137 10.452 1.00 98.34 C
ATOM 812 CE LYS A 105 -10.308 12.691 11.113 1.00 98.34 C
ATOM 813 NZ LYS A 105 -10.180 14.165 10.911 1.00 98.34 N
ATOM 814 N LEU A 106 -11.996 7.573 11.962 1.00 98.49 N
ATOM 815 CA LEU A 106 -12.023 6.959 13.286 1.00 98.49 C
ATOM 816 C LEU A 106 -11.101 7.701 14.248 1.00 98.49 C
ATOM 817 CB LEU A 106 -11.614 5.486 13.201 1.00 98.49 C
ATOM 818 O LEU A 106 -11.280 7.628 15.466 1.00 98.49 O
ATOM 819 CG LEU A 106 -12.471 4.596 12.300 1.00 98.49 C
ATOM 820 CD1 LEU A 106 -11.873 3.195 12.217 1.00 98.49 C
ATOM 821 CD2 LEU A 106 -13.907 4.540 12.812 1.00 98.49 C
ATOM 822 N GLY A 107 -10.056 8.360 13.717 1.00 98.26 N
ATOM 823 CA GLY A 107 -9.076 9.038 14.551 1.00 98.26 C
ATOM 824 C GLY A 107 -7.873 9.537 13.772 1.00 98.26 C
ATOM 825 O GLY A 107 -7.970 9.800 12.572 1.00 98.26 O
ATOM 826 N GLU A 108 -6.827 9.815 14.551 1.00 98.60 N
ATOM 827 CA GLU A 108 -5.577 10.301 13.974 1.00 98.60 C
ATOM 828 C GLU A 108 -4.370 9.697 14.685 1.00 98.60 C
ATOM 829 CB GLU A 108 -5.514 11.829 14.035 1.00 98.60 C
ATOM 830 O GLU A 108 -4.483 9.221 15.817 1.00 98.60 O
ATOM 831 CG GLU A 108 -6.678 12.521 13.340 1.00 98.60 C
ATOM 832 CD GLU A 108 -6.675 14.030 13.525 1.00 98.60 C
ATOM 833 OE1 GLU A 108 -7.257 14.746 12.678 1.00 98.60 O
ATOM 834 OE2 GLU A 108 -6.086 14.501 14.523 1.00 98.60 O
ATOM 835 N VAL A 109 -3.302 9.734 13.995 1.00 98.63 N
ATOM 836 CA VAL A 109 -2.016 9.381 14.587 1.00 98.63 C
ATOM 837 C VAL A 109 -0.923 10.291 14.032 1.00 98.63 C
ATOM 838 CB VAL A 109 -1.659 7.900 14.328 1.00 98.63 C
ATOM 839 O VAL A 109 -0.987 10.712 12.874 1.00 98.63 O
ATOM 840 CG1 VAL A 109 -1.568 7.621 12.828 1.00 98.63 C
ATOM 841 CG2 VAL A 109 -0.347 7.538 15.022 1.00 98.63 C
ATOM 842 N THR A 110 -0.031 10.763 14.907 1.00 98.65 N
ATOM 843 CA THR A 110 1.162 11.489 14.486 1.00 98.65 C
ATOM 844 C THR A 110 2.364 10.552 14.402 1.00 98.65 C
ATOM 845 CB THR A 110 1.478 12.650 15.447 1.00 98.65 C
ATOM 846 O THR A 110 2.712 9.892 15.383 1.00 98.65 O
ATOM 847 CG2 THR A 110 2.726 13.406 15.003 1.00 98.65 C
ATOM 848 OG1 THR A 110 0.368 13.556 15.474 1.00 98.65 O
ATOM 849 N SER A 111 2.991 10.527 13.244 1.00 98.59 N
ATOM 850 CA SER A 111 4.139 9.658 13.004 1.00 98.59 C
ATOM 851 C SER A 111 4.975 10.158 11.830 1.00 98.59 C
ATOM 852 CB SER A 111 3.679 8.224 12.739 1.00 98.59 C
ATOM 853 O SER A 111 4.430 10.631 10.831 1.00 98.59 O
ATOM 854 OG SER A 111 4.791 7.363 12.565 1.00 98.59 O
ATOM 855 N ASP A 112 6.232 10.116 12.034 1.00 98.10 N
ATOM 856 CA ASP A 112 7.208 10.356 10.976 1.00 98.10 C
ATOM 857 C ASP A 112 7.016 11.737 10.353 1.00 98.10 C
ATOM 858 CB ASP A 112 7.108 9.275 9.898 1.00 98.10 C
ATOM 859 O ASP A 112 7.027 11.879 9.129 1.00 98.10 O
ATOM 860 CG ASP A 112 7.205 7.867 10.459 1.00 98.10 C
ATOM 861 OD1 ASP A 112 6.257 7.073 10.279 1.00 98.10 O
ATOM 862 OD2 ASP A 112 8.237 7.551 11.089 1.00 98.10 O
ATOM 863 N GLY A 113 6.611 12.697 11.155 1.00 97.86 N
ATOM 864 CA GLY A 113 6.658 14.103 10.788 1.00 97.86 C
ATOM 865 C GLY A 113 5.336 14.626 10.258 1.00 97.86 C
ATOM 866 O GLY A 113 5.275 15.724 9.702 1.00 97.86 O
ATOM 867 N SER A 114 4.290 13.845 10.329 1.00 98.52 N
ATOM 868 CA SER A 114 2.994 14.309 9.843 1.00 98.52 C
ATOM 869 C SER A 114 1.851 13.667 10.621 1.00 98.52 C
ATOM 870 CB SER A 114 2.841 14.005 8.352 1.00 98.52 C
ATOM 871 O SER A 114 2.062 12.712 11.371 1.00 98.52 O
ATOM 872 OG SER A 114 1.747 14.720 7.803 1.00 98.52 O
ATOM 873 N VAL A 115 0.792 14.225 10.544 1.00 98.81 N
ATOM 874 CA VAL A 115 -0.449 13.651 11.056 1.00 98.81 C
ATOM 875 C VAL A 115 -1.100 12.785 9.979 1.00 98.81 C
ATOM 876 CB VAL A 115 -1.431 14.748 11.524 1.00 98.81 C
ATOM 877 O VAL A 115 -1.080 13.135 8.797 1.00 98.81 O
ATOM 878 CG1 VAL A 115 -2.763 14.133 11.950 1.00 98.81 C
ATOM 879 CG2 VAL A 115 -0.821 15.556 12.668 1.00 98.81 C
ATOM 880 N TYR A 116 -1.526 11.686 10.434 1.00 98.79 N
ATOM 881 CA TYR A 116 -2.308 10.792 9.587 1.00 98.79 C
ATOM 882 C TYR A 116 -3.747 10.693 10.080 1.00 98.79 C
ATOM 883 CB TYR A 116 -1.674 9.399 9.545 1.00 98.79 C
ATOM 884 O TYR A 116 -3.991 10.580 11.284 1.00 98.79 O
ATOM 885 CG TYR A 116 -0.359 9.352 8.806 1.00 98.79 C
ATOM 886 CD1 TYR A 116 0.803 9.867 9.378 1.00 98.79 C
ATOM 887 CD2 TYR A 116 -0.275 8.795 7.534 1.00 98.79 C
ATOM 888 CE1 TYR A 116 2.016 9.828 8.699 1.00 98.79 C
ATOM 889 CE2 TYR A 116 0.934 8.751 6.847 1.00 98.79 C
ATOM 890 OH TYR A 116 3.271 9.228 6.761 1.00 98.79 O
ATOM 891 CZ TYR A 116 2.072 9.269 7.437 1.00 98.79 C
ATOM 892 N ASP A 117 -4.649 10.710 9.120 1.00 98.79 N
ATOM 893 CA ASP A 117 -6.032 10.394 9.461 1.00 98.79 C
ATOM 894 C ASP A 117 -6.296 8.894 9.350 1.00 98.79 C
ATOM 895 CB ASP A 117 -6.997 11.166 8.559 1.00 98.79 C
ATOM 896 O ASP A 117 -5.837 8.246 8.408 1.00 98.79 O
ATOM 897 CG ASP A 117 -6.858 12.672 8.693 1.00 98.79 C
ATOM 898 OD1 ASP A 117 -6.625 13.357 7.673 1.00 98.79 O
ATOM 899 OD2 ASP A 117 -6.980 13.179 9.829 1.00 98.79 O
ATOM 900 N ILE A 118 -7.025 8.328 10.254 1.00 98.85 N
ATOM 901 CA ILE A 118 -7.322 6.900 10.283 1.00 98.85 C
ATOM 902 C ILE A 118 -8.756 6.662 9.814 1.00 98.85 C
ATOM 903 CB ILE A 118 -7.115 6.309 11.696 1.00 98.85 C
ATOM 904 O ILE A 118 -9.698 7.248 10.353 1.00 98.85 O
ATOM 905 CG1 ILE A 118 -5.658 6.483 12.139 1.00 98.85 C
ATOM 906 CG2 ILE A 118 -7.526 4.834 11.730 1.00 98.85 C
ATOM 907 CD1 ILE A 118 -5.411 6.142 13.602 1.00 98.85 C
ATOM 908 N TYR A 119 -8.922 5.810 8.888 1.00 98.70 N
ATOM 909 CA TYR A 119 -10.222 5.479 8.315 1.00 98.70 C
ATOM 910 C TYR A 119 -10.418 3.969 8.241 1.00 98.70 C
ATOM 911 CB TYR A 119 -10.368 6.093 6.920 1.00 98.70 C
ATOM 912 O TYR A 119 -9.449 3.208 8.298 1.00 98.70 O
ATOM 913 CG TYR A 119 -10.217 7.595 6.899 1.00 98.70 C
ATOM 914 CD1 TYR A 119 -8.961 8.186 6.779 1.00 98.70 C
ATOM 915 CD2 TYR A 119 -11.328 8.424 6.999 1.00 98.70 C
ATOM 916 CE1 TYR A 119 -8.817 9.570 6.762 1.00 98.70 C
ATOM 917 CE2 TYR A 119 -11.196 9.809 6.982 1.00 98.70 C
ATOM 918 OH TYR A 119 -9.801 11.741 6.845 1.00 98.70 O
ATOM 919 CZ TYR A 119 -9.938 10.371 6.863 1.00 98.70 C
ATOM 920 N ARG A 120 -11.656 3.579 8.106 1.00 98.42 N
ATOM 921 CA ARG A 120 -12.020 2.193 7.833 1.00 98.42 C
ATOM 922 C ARG A 120 -13.134 2.113 6.795 1.00 98.42 C
ATOM 923 CB ARG A 120 -12.451 1.486 9.120 1.00 98.42 C
ATOM 924 O ARG A 120 -14.071 2.913 6.821 1.00 98.42 O
ATOM 925 CG ARG A 120 -12.822 0.025 8.926 1.00 98.42 C
ATOM 926 CD ARG A 120 -13.284 -0.618 10.227 1.00 98.42 C
ATOM 927 NE ARG A 120 -14.594 -0.122 10.638 1.00 98.42 N
ATOM 928 NH1 ARG A 120 -14.622 -1.255 12.650 1.00 98.42 N
ATOM 929 NH2 ARG A 120 -16.392 0.073 12.053 1.00 98.42 N
ATOM 930 CZ ARG A 120 -15.200 -0.436 11.779 1.00 98.42 C
ATOM 931 N THR A 121 -13.002 1.142 5.887 1.00 97.71 N
ATOM 932 CA THR A 121 -14.037 0.840 4.904 1.00 97.71 C
ATOM 933 C THR A 121 -14.198 -0.668 4.735 1.00 97.71 C
ATOM 934 CB THR A 121 -13.716 1.480 3.541 1.00 97.71 C
ATOM 935 O THR A 121 -13.281 -1.434 5.039 1.00 97.71 O
ATOM 936 CG2 THR A 121 -13.665 3.001 3.646 1.00 97.71 C
ATOM 937 OG1 THR A 121 -12.446 1.001 3.081 1.00 97.71 O
ATOM 938 N GLN A 122 -15.307 -1.082 4.302 1.00 97.75 N
ATOM 939 CA GLN A 122 -15.550 -2.492 4.016 1.00 97.75 C
ATOM 940 C GLN A 122 -15.624 -2.744 2.513 1.00 97.75 C
ATOM 941 CB GLN A 122 -16.839 -2.963 4.691 1.00 97.75 C
ATOM 942 O GLN A 122 -16.263 -1.985 1.781 1.00 97.75 O
ATOM 943 CG GLN A 122 -17.048 -4.470 4.635 1.00 97.75 C
ATOM 944 CD GLN A 122 -18.308 -4.915 5.354 1.00 97.75 C
ATOM 945 NE2 GLN A 122 -18.235 -6.059 6.025 1.00 97.75 N
ATOM 946 OE1 GLN A 122 -19.338 -4.236 5.307 1.00 97.75 O
ATOM 947 N ARG A 123 -14.929 -3.702 2.094 1.00 97.43 N
ATOM 948 CA ARG A 123 -15.000 -4.178 0.717 1.00 97.43 C
ATOM 949 C ARG A 123 -15.841 -5.447 0.618 1.00 97.43 C
ATOM 950 CB ARG A 123 -13.597 -4.436 0.163 1.00 97.43 C
ATOM 951 O ARG A 123 -15.488 -6.479 1.193 1.00 97.43 O
ATOM 952 CG ARG A 123 -12.652 -3.254 0.306 1.00 97.43 C
ATOM 953 CD ARG A 123 -13.106 -2.065 -0.530 1.00 97.43 C
ATOM 954 NE ARG A 123 -13.068 -2.365 -1.959 1.00 97.43 N
ATOM 955 NH1 ARG A 123 -14.489 -0.648 -2.567 1.00 97.43 N
ATOM 956 NH2 ARG A 123 -13.620 -2.043 -4.165 1.00 97.43 N
ATOM 957 CZ ARG A 123 -13.726 -1.685 -2.894 1.00 97.43 C
ATOM 958 N VAL A 124 -16.896 -5.453 -0.121 1.00 97.92 N
ATOM 959 CA VAL A 124 -17.839 -6.564 -0.197 1.00 97.92 C
ATOM 960 C VAL A 124 -17.651 -7.312 -1.514 1.00 97.92 C
ATOM 961 CB VAL A 124 -19.300 -6.078 -0.063 1.00 97.92 C
ATOM 962 O VAL A 124 -17.780 -6.727 -2.592 1.00 97.92 O
ATOM 963 CG1 VAL A 124 -20.270 -7.255 -0.152 1.00 97.92 C
ATOM 964 CG2 VAL A 124 -19.492 -5.321 1.250 1.00 97.92 C
ATOM 965 N ASN A 125 -17.300 -8.605 -1.433 1.00 97.31 N
ATOM 966 CA ASN A 125 -17.138 -9.507 -2.569 1.00 97.31 C
ATOM 967 C ASN A 125 -16.115 -8.972 -3.567 1.00 97.31 C
ATOM 968 CB ASN A 125 -18.481 -9.747 -3.261 1.00 97.31 C
ATOM 969 O ASN A 125 -16.367 -8.961 -4.774 1.00 97.31 O
ATOM 970 CG ASN A 125 -19.436 -10.565 -2.414 1.00 97.31 C
ATOM 971 ND2 ASN A 125 -20.727 -10.275 -2.528 1.00 97.31 N
ATOM 972 OD1 ASN A 125 -19.017 -11.451 -1.664 1.00 97.31 O
ATOM 973 N GLN A 126 -14.999 -8.397 -3.031 1.00 97.05 N
ATOM 974 CA GLN A 126 -13.919 -7.887 -3.869 1.00 97.05 C
ATOM 975 C GLN A 126 -12.725 -8.837 -3.867 1.00 97.05 C
ATOM 976 CB GLN A 126 -13.485 -6.498 -3.398 1.00 97.05 C
ATOM 977 O GLN A 126 -12.563 -9.637 -2.943 1.00 97.05 O
ATOM 978 CG GLN A 126 -14.570 -5.437 -3.529 1.00 97.05 C
ATOM 979 CD GLN A 126 -14.915 -5.126 -4.973 1.00 97.05 C
ATOM 980 NE2 GLN A 126 -16.192 -4.871 -5.236 1.00 97.05 N
ATOM 981 OE1 GLN A 126 -14.041 -5.113 -5.845 1.00 97.05 O
ATOM 982 N PRO A 127 -12.034 -8.855 -4.966 1.00 95.40 N
ATOM 983 CA PRO A 127 -10.832 -9.692 -5.007 1.00 95.40 C
ATOM 984 C PRO A 127 -9.913 -9.464 -3.809 1.00 95.40 C
ATOM 985 CB PRO A 127 -10.149 -9.265 -6.308 1.00 95.40 C
ATOM 986 O PRO A 127 -9.768 -8.331 -3.344 1.00 95.40 O
ATOM 987 CG PRO A 127 -11.252 -8.721 -7.158 1.00 95.40 C
ATOM 988 CD PRO A 127 -12.237 -8.017 -6.269 1.00 95.40 C
ATOM 989 N SER A 128 -9.339 -10.488 -3.334 1.00 96.46 N
ATOM 990 CA SER A 128 -8.405 -10.472 -2.214 1.00 96.46 C
ATOM 991 C SER A 128 -7.297 -11.503 -2.404 1.00 96.46 C
ATOM 992 CB SER A 128 -9.139 -10.738 -0.899 1.00 96.46 C
ATOM 993 O SER A 128 -7.266 -12.210 -3.414 1.00 96.46 O
ATOM 994 OG SER A 128 -9.494 -12.106 -0.789 1.00 96.46 O
ATOM 995 N ILE A 129 -6.330 -11.533 -1.435 1.00 95.65 N
ATOM 996 CA ILE A 129 -5.206 -12.458 -1.528 1.00 95.65 C
ATOM 997 C ILE A 129 -5.694 -13.888 -1.303 1.00 95.65 C
ATOM 998 CB ILE A 129 -4.097 -12.105 -0.512 1.00 95.65 C
ATOM 999 O ILE A 129 -4.951 -14.846 -1.528 1.00 95.65 O
ATOM 1000 CG1 ILE A 129 -4.669 -12.066 0.910 1.00 95.65 C
ATOM 1001 CG2 ILE A 129 -3.439 -10.770 -0.874 1.00 95.65 C
ATOM 1002 CD1 ILE A 129 -3.612 -11.940 1.999 1.00 95.65 C
ATOM 1003 N ILE A 130 -6.938 -14.123 -0.878 1.00 95.10 N
ATOM 1004 CA ILE A 130 -7.457 -15.471 -0.671 1.00 95.10 C
ATOM 1005 C ILE A 130 -8.637 -15.719 -1.608 1.00 95.10 C
ATOM 1006 CB ILE A 130 -7.883 -15.693 0.798 1.00 95.10 C
ATOM 1007 O ILE A 130 -9.470 -16.590 -1.349 1.00 95.10 O
ATOM 1008 CG1 ILE A 130 -8.961 -14.680 1.200 1.00 95.10 C
ATOM 1009 CG2 ILE A 130 -6.672 -15.603 1.731 1.00 95.10 C
ATOM 1010 CD1 ILE A 130 -9.760 -15.082 2.432 1.00 95.10 C
ATOM 1011 N GLY A 131 -8.770 -14.960 -2.614 1.00 95.54 N
ATOM 1012 CA GLY A 131 -9.880 -15.036 -3.550 1.00 95.54 C
ATOM 1013 C GLY A 131 -10.922 -13.955 -3.329 1.00 95.54 C
ATOM 1014 O GLY A 131 -10.608 -12.879 -2.816 1.00 95.54 O
ATOM 1015 N THR A 132 -12.116 -14.141 -3.752 1.00 97.42 N
ATOM 1016 CA THR A 132 -13.206 -13.196 -3.535 1.00 97.42 C
ATOM 1017 C THR A 132 -13.717 -13.279 -2.100 1.00 97.42 C
ATOM 1018 CB THR A 132 -14.368 -13.450 -4.513 1.00 97.42 C
ATOM 1019 O THR A 132 -14.105 -14.353 -1.635 1.00 97.42 O
ATOM 1020 CG2 THR A 132 -15.517 -12.479 -4.266 1.00 97.42 C
ATOM 1021 OG1 THR A 132 -13.899 -13.287 -5.857 1.00 97.42 O
ATOM 1022 N ALA A 133 -13.714 -12.163 -1.360 1.00 97.90 N
ATOM 1023 CA ALA A 133 -14.107 -12.121 0.046 1.00 97.90 C
ATOM 1024 C ALA A 133 -14.553 -10.719 0.449 1.00 97.90 C
ATOM 1025 CB ALA A 133 -12.956 -12.586 0.935 1.00 97.90 C
ATOM 1026 O ALA A 133 -14.385 -9.764 -0.313 1.00 97.90 O
ATOM 1027 N THR A 134 -15.311 -10.681 1.523 1.00 98.40 N
ATOM 1028 CA THR A 134 -15.608 -9.422 2.197 1.00 98.40 C
ATOM 1029 C THR A 134 -14.602 -9.154 3.312 1.00 98.40 C
ATOM 1030 CB THR A 134 -17.034 -9.423 2.778 1.00 98.40 C
ATOM 1031 O THR A 134 -14.341 -10.027 4.143 1.00 98.40 O
ATOM 1032 CG2 THR A 134 -17.327 -8.122 3.519 1.00 98.40 C
ATOM 1033 OG1 THR A 134 -17.979 -9.575 1.711 1.00 98.40 O
ATOM 1034 N PHE A 135 -14.022 -8.037 3.283 1.00 98.19 N
ATOM 1035 CA PHE A 135 -12.982 -7.702 4.249 1.00 98.19 C
ATOM 1036 C PHE A 135 -12.954 -6.202 4.516 1.00 98.19 C
ATOM 1037 CB PHE A 135 -11.612 -8.172 3.751 1.00 98.19 C
ATOM 1038 O PHE A 135 -13.506 -5.418 3.742 1.00 98.19 O
ATOM 1039 CG PHE A 135 -11.236 -7.624 2.401 1.00 98.19 C
ATOM 1040 CD1 PHE A 135 -10.571 -6.409 2.290 1.00 98.19 C
ATOM 1041 CD2 PHE A 135 -11.547 -8.324 1.243 1.00 98.19 C
ATOM 1042 CE1 PHE A 135 -10.221 -5.898 1.042 1.00 98.19 C
ATOM 1043 CE2 PHE A 135 -11.201 -7.820 -0.008 1.00 98.19 C
ATOM 1044 CZ PHE A 135 -10.539 -6.607 -0.106 1.00 98.19 C
ATOM 1045 N TYR A 136 -12.288 -5.840 5.601 1.00 98.30 N
ATOM 1046 CA TYR A 136 -12.101 -4.426 5.905 1.00 98.30 C
ATOM 1047 C TYR A 136 -10.777 -3.918 5.347 1.00 98.30 C
ATOM 1048 CB TYR A 136 -12.155 -4.190 7.418 1.00 98.30 C
ATOM 1049 O TYR A 136 -9.835 -4.692 5.166 1.00 98.30 O
ATOM 1050 CG TYR A 136 -13.553 -4.220 7.987 1.00 98.30 C
ATOM 1051 CD1 TYR A 136 -13.992 -5.299 8.751 1.00 98.30 C
ATOM 1052 CD2 TYR A 136 -14.437 -3.170 7.763 1.00 98.30 C
ATOM 1053 CE1 TYR A 136 -15.279 -5.332 9.276 1.00 98.30 C
ATOM 1054 CE2 TYR A 136 -15.727 -3.192 8.283 1.00 98.30 C
ATOM 1055 OH TYR A 136 -17.414 -4.303 9.555 1.00 98.30 O
ATOM 1056 CZ TYR A 136 -16.138 -4.275 9.038 1.00 98.30 C
ATOM 1057 N GLN A 137 -10.714 -2.674 5.029 1.00 98.48 N
ATOM 1058 CA GLN A 137 -9.503 -1.909 4.753 1.00 98.48 C
ATOM 1059 C GLN A 137 -9.253 -0.864 5.837 1.00 98.48 C
ATOM 1060 CB GLN A 137 -9.594 -1.233 3.384 1.00 98.48 C
ATOM 1061 O GLN A 137 -10.181 -0.174 6.267 1.00 98.48 O
ATOM 1062 CG GLN A 137 -9.634 -2.211 2.217 1.00 98.48 C
ATOM 1063 CD GLN A 137 -9.838 -1.523 0.881 1.00 98.48 C
ATOM 1064 NE2 GLN A 137 -9.072 -1.936 -0.123 1.00 98.48 N
ATOM 1065 OE1 GLN A 137 -10.678 -0.627 0.751 1.00 98.48 O
ATOM 1066 N TYR A 138 -8.054 -0.768 6.284 1.00 98.55 N
ATOM 1067 CA TYR A 138 -7.623 0.258 7.226 1.00 98.55 C
ATOM 1068 C TYR A 138 -6.727 1.284 6.543 1.00 98.55 C
ATOM 1069 CB TYR A 138 -6.883 -0.375 8.409 1.00 98.55 C
ATOM 1070 O TYR A 138 -5.849 0.924 5.755 1.00 98.55 O
ATOM 1071 CG TYR A 138 -7.700 -1.400 9.157 1.00 98.55 C
ATOM 1072 CD1 TYR A 138 -7.099 -2.270 10.065 1.00 98.55 C
ATOM 1073 CD2 TYR A 138 -9.072 -1.502 8.958 1.00 98.55 C
ATOM 1074 CE1 TYR A 138 -7.848 -3.218 10.755 1.00 98.55 C
ATOM 1075 CE2 TYR A 138 -9.830 -2.446 9.642 1.00 98.55 C
ATOM 1076 OH TYR A 138 -9.956 -4.234 11.219 1.00 98.55 O
ATOM 1077 CZ TYR A 138 -9.210 -3.298 10.538 1.00 98.55 C
ATOM 1078 N TRP A 139 -6.951 2.467 6.840 1.00 98.68 N
ATOM 1079 CA TRP A 139 -6.222 3.540 6.172 1.00 98.68 C
ATOM 1080 C TRP A 139 -5.558 4.462 7.189 1.00 98.68 C
ATOM 1081 CB TRP A 139 -7.158 4.345 5.267 1.00 98.68 C
ATOM 1082 O TRP A 139 -6.180 4.853 8.180 1.00 98.68 O
ATOM 1083 CG TRP A 139 -7.949 3.507 4.309 1.00 98.68 C
ATOM 1084 CD1 TRP A 139 -9.124 2.854 4.560 1.00 98.68 C
ATOM 1085 CD2 TRP A 139 -7.619 3.226 2.945 1.00 98.68 C
ATOM 1086 CE2 TRP A 139 -8.639 2.397 2.430 1.00 98.68 C
ATOM 1087 CE3 TRP A 139 -6.558 3.596 2.108 1.00 98.68 C
ATOM 1088 NE1 TRP A 139 -9.545 2.185 3.434 1.00 98.68 N
ATOM 1089 CH2 TRP A 139 -7.580 2.309 0.315 1.00 98.68 C
ATOM 1090 CZ2 TRP A 139 -8.629 1.932 1.112 1.00 98.68 C
ATOM 1091 CZ3 TRP A 139 -6.550 3.132 0.798 1.00 98.68 C
ATOM 1092 N SER A 140 -4.342 4.750 7.036 1.00 98.85 N
ATOM 1093 CA SER A 140 -3.665 5.946 7.528 1.00 98.85 C
ATOM 1094 C SER A 140 -3.261 6.864 6.379 1.00 98.85 C
ATOM 1095 CB SER A 140 -2.430 5.565 8.345 1.00 98.85 C
ATOM 1096 O SER A 140 -2.368 6.532 5.597 1.00 98.85 O
ATOM 1097 OG SER A 140 -2.803 4.880 9.529 1.00 98.85 O
ATOM 1098 N VAL A 141 -3.950 7.969 6.226 1.00 98.85 N
ATOM 1099 CA VAL A 141 -3.704 8.866 5.102 1.00 98.85 C
ATOM 1100 C VAL A 141 -2.932 10.094 5.580 1.00 98.85 C
ATOM 1101 CB VAL A 141 -5.022 9.298 4.421 1.00 98.85 C
ATOM 1102 O VAL A 141 -3.443 10.886 6.375 1.00 98.85 O
ATOM 1103 CG1 VAL A 141 -4.742 10.220 3.236 1.00 98.85 C
ATOM 1104 CG2 VAL A 141 -5.817 8.072 3.973 1.00 98.85 C
ATOM 1105 N ARG A 142 -1.796 10.223 5.051 1.00 98.62 N
ATOM 1106 CA ARG A 142 -0.897 11.306 5.436 1.00 98.62 C
ATOM 1107 C ARG A 142 -1.437 12.656 4.977 1.00 98.62 C
ATOM 1108 CB ARG A 142 0.501 11.076 4.855 1.00 98.62 C
ATOM 1109 O ARG A 142 -1.773 12.829 3.803 1.00 98.62 O
ATOM 1110 CG ARG A 142 1.534 12.091 5.318 1.00 98.62 C
ATOM 1111 CD ARG A 142 2.929 11.742 4.819 1.00 98.62 C
ATOM 1112 NE ARG A 142 3.923 12.709 5.278 1.00 98.62 N
ATOM 1113 NH1 ARG A 142 4.084 11.840 7.412 1.00 98.62 N
ATOM 1114 NH2 ARG A 142 5.346 13.657 6.811 1.00 98.62 N
ATOM 1115 CZ ARG A 142 4.449 12.733 6.499 1.00 98.62 C
ATOM 1116 N ARG A 143 -1.462 13.621 5.773 1.00 98.21 N
ATOM 1117 CA ARG A 143 -1.965 14.942 5.412 1.00 98.21 C
ATOM 1118 C ARG A 143 -0.971 15.682 4.522 1.00 98.21 C
ATOM 1119 CB ARG A 143 -2.259 15.767 6.667 1.00 98.21 C
ATOM 1120 O ARG A 143 -1.368 16.380 3.586 1.00 98.21 O
ATOM 1121 CG ARG A 143 -3.468 15.284 7.452 1.00 98.21 C
ATOM 1122 CD ARG A 143 -3.828 16.242 8.579 1.00 98.21 C
ATOM 1123 NE ARG A 143 -4.936 15.735 9.384 1.00 98.21 N
ATOM 1124 NH1 ARG A 143 -4.812 17.402 10.978 1.00 98.21 N
ATOM 1125 NH2 ARG A 143 -6.394 15.754 11.158 1.00 98.21 N
ATOM 1126 CZ ARG A 143 -5.378 16.298 10.505 1.00 98.21 C
ATOM 1127 N ASN A 144 0.328 15.657 4.926 1.00 98.36 N
ATOM 1128 CA ASN A 144 1.377 16.263 4.113 1.00 98.36 C
ATOM 1129 C ASN A 144 2.078 15.226 3.239 1.00 98.36 C
ATOM 1130 CB ASN A 144 2.393 16.985 5.000 1.00 98.36 C
ATOM 1131 O ASN A 144 2.944 14.490 3.716 1.00 98.36 O
ATOM 1132 CG ASN A 144 1.755 18.043 5.878 1.00 98.36 C
ATOM 1133 ND2 ASN A 144 2.054 18.001 7.171 1.00 98.36 N
ATOM 1134 OD1 ASN A 144 0.998 18.891 5.398 1.00 98.36 O
ATOM 1135 N HIS A 145 1.822 15.227 2.011 1.00 98.51 N
ATOM 1136 CA HIS A 145 2.299 14.216 1.074 1.00 98.51 C
ATOM 1137 C HIS A 145 3.819 14.245 0.959 1.00 98.51 C
ATOM 1138 CB HIS A 145 1.664 14.421 -0.303 1.00 98.51 C
ATOM 1139 O HIS A 145 4.436 15.305 1.087 1.00 98.51 O
ATOM 1140 CG HIS A 145 0.177 14.258 -0.308 1.00 98.51 C
ATOM 1141 CD2 HIS A 145 -0.676 13.853 0.661 1.00 98.51 C
ATOM 1142 ND1 HIS A 145 -0.596 14.524 -1.417 1.00 98.51 N
ATOM 1143 CE1 HIS A 145 -1.865 14.290 -1.128 1.00 98.51 C
ATOM 1144 NE2 HIS A 145 -1.941 13.881 0.127 1.00 98.51 N
ATOM 1145 N ARG A 146 4.304 13.090 0.682 1.00 98.41 N
ATOM 1146 CA ARG A 146 5.726 12.959 0.382 1.00 98.41 C
ATOM 1147 C ARG A 146 6.000 11.698 -0.431 1.00 98.41 C
ATOM 1148 CB ARG A 146 6.548 12.938 1.673 1.00 98.41 C
ATOM 1149 O ARG A 146 5.153 10.806 -0.508 1.00 98.41 O
ATOM 1150 CG ARG A 146 6.327 11.698 2.524 1.00 98.41 C
ATOM 1151 CD ARG A 146 7.171 11.726 3.791 1.00 98.41 C
ATOM 1152 NE ARG A 146 6.973 10.525 4.597 1.00 98.41 N
ATOM 1153 NH1 ARG A 146 8.416 11.168 6.283 1.00 98.41 N
ATOM 1154 NH2 ARG A 146 7.316 9.161 6.413 1.00 98.41 N
ATOM 1155 CZ ARG A 146 7.569 10.288 5.763 1.00 98.41 C
ATOM 1156 N SER A 147 7.120 11.571 -0.971 1.00 98.30 N
ATOM 1157 CA SER A 147 7.467 10.413 -1.789 1.00 98.30 C
ATOM 1158 C SER A 147 8.767 9.772 -1.315 1.00 98.30 C
ATOM 1159 CB SER A 147 7.592 10.814 -3.259 1.00 98.30 C
ATOM 1160 O SER A 147 9.358 8.956 -2.026 1.00 98.30 O
ATOM 1161 OG SER A 147 8.491 11.899 -3.410 1.00 98.30 O
ATOM 1162 N SER A 148 9.200 10.228 -0.146 1.00 98.53 N
ATOM 1163 CA SER A 148 10.380 9.662 0.498 1.00 98.53 C
ATOM 1164 C SER A 148 10.323 9.839 2.011 1.00 98.53 C
ATOM 1165 CB SER A 148 11.653 10.307 -0.051 1.00 98.53 C
ATOM 1166 O SER A 148 9.606 10.708 2.513 1.00 98.53 O
ATOM 1167 OG SER A 148 11.729 10.153 -1.458 1.00 98.53 O
ATOM 1168 N GLY A 149 10.952 8.978 2.735 1.00 98.33 N
ATOM 1169 CA GLY A 149 11.008 9.055 4.186 1.00 98.33 C
ATOM 1170 C GLY A 149 10.910 7.700 4.860 1.00 98.33 C
ATOM 1171 O GLY A 149 11.282 6.681 4.274 1.00 98.33 O
ATOM 1172 N SER A 150 10.632 7.727 6.073 1.00 98.57 N
ATOM 1173 CA SER A 150 10.494 6.512 6.870 1.00 98.57 C
ATOM 1174 C SER A 150 9.074 6.361 7.405 1.00 98.57 C
ATOM 1175 CB SER A 150 11.487 6.517 8.033 1.00 98.57 C
ATOM 1176 O SER A 150 8.422 7.353 7.740 1.00 98.57 O
ATOM 1177 OG SER A 150 11.388 5.320 8.785 1.00 98.57 O
ATOM 1178 N VAL A 151 8.600 5.148 7.405 1.00 98.78 N
ATOM 1179 CA VAL A 151 7.312 4.813 8.004 1.00 98.78 C
ATOM 1180 C VAL A 151 7.511 3.785 9.115 1.00 98.78 C
ATOM 1181 CB VAL A 151 6.320 4.273 6.950 1.00 98.78 C
ATOM 1182 O VAL A 151 7.941 2.658 8.857 1.00 98.78 O
ATOM 1183 CG1 VAL A 151 4.994 3.887 7.605 1.00 98.78 C
ATOM 1184 CG2 VAL A 151 6.094 5.310 5.851 1.00 98.78 C
ATOM 1185 N ASN A 152 7.265 4.229 10.354 1.00 98.69 N
ATOM 1186 CA ASN A 152 7.201 3.281 11.462 1.00 98.69 C
ATOM 1187 C ASN A 152 5.830 2.617 11.553 1.00 98.69 C
ATOM 1188 CB ASN A 152 7.544 3.975 12.782 1.00 98.69 C
ATOM 1189 O ASN A 152 4.896 3.187 12.120 1.00 98.69 O
ATOM 1190 CG ASN A 152 7.724 2.997 13.926 1.00 98.69 C
ATOM 1191 ND2 ASN A 152 8.340 3.458 15.008 1.00 98.69 N
ATOM 1192 OD1 ASN A 152 7.314 1.837 13.837 1.00 98.69 O
ATOM 1193 N THR A 153 5.755 1.430 11.096 1.00 98.70 N
ATOM 1194 CA THR A 153 4.459 0.770 10.982 1.00 98.70 C
ATOM 1195 C THR A 153 3.866 0.500 12.362 1.00 98.70 C
ATOM 1196 CB THR A 153 4.572 -0.552 10.200 1.00 98.70 C
ATOM 1197 O THR A 153 2.645 0.438 12.517 1.00 98.70 O
ATOM 1198 CG2 THR A 153 4.959 -0.300 8.747 1.00 98.70 C
ATOM 1199 OG1 THR A 153 5.570 -1.378 10.812 1.00 98.70 O
ATOM 1200 N ALA A 154 4.690 0.341 13.347 1.00 98.73 N
ATOM 1201 CA ALA A 154 4.184 0.090 14.694 1.00 98.73 C
ATOM 1202 C ALA A 154 3.297 1.238 15.169 1.00 98.73 C
ATOM 1203 CB ALA A 154 5.341 -0.122 15.667 1.00 98.73 C
ATOM 1204 O ALA A 154 2.264 1.011 15.803 1.00 98.73 O
ATOM 1205 N ASN A 155 3.652 2.464 14.841 1.00 98.78 N
ATOM 1206 CA ASN A 155 2.829 3.607 15.222 1.00 98.78 C
ATOM 1207 C ASN A 155 1.434 3.521 14.609 1.00 98.78 C
ATOM 1208 CB ASN A 155 3.508 4.916 14.815 1.00 98.78 C
ATOM 1209 O ASN A 155 0.439 3.795 15.282 1.00 98.78 O
ATOM 1210 CG ASN A 155 4.783 5.180 15.592 1.00 98.78 C
ATOM 1211 ND2 ASN A 155 5.597 6.106 15.100 1.00 98.78 N
ATOM 1212 OD1 ASN A 155 5.034 4.555 16.627 1.00 98.78 O
ATOM 1213 N HIS A 156 1.380 3.075 13.441 1.00 98.61 N
ATOM 1214 CA HIS A 156 0.107 3.001 12.732 1.00 98.61 C
ATOM 1215 C HIS A 156 -0.725 1.818 13.215 1.00 98.61 C
ATOM 1216 CB HIS A 156 0.339 2.899 11.223 1.00 98.61 C
ATOM 1217 O HIS A 156 -1.913 1.967 13.508 1.00 98.61 O
ATOM 1218 CG HIS A 156 1.042 4.085 10.643 1.00 98.61 C
ATOM 1219 CD2 HIS A 156 2.359 4.330 10.447 1.00 98.61 C
ATOM 1220 ND1 HIS A 156 0.369 5.199 10.188 1.00 98.61 N
ATOM 1221 CE1 HIS A 156 1.246 6.080 9.735 1.00 98.61 C
ATOM 1222 NE2 HIS A 156 2.460 5.577 9.881 1.00 98.61 N
ATOM 1223 N PHE A 157 -0.105 0.704 13.332 1.00 98.61 N
ATOM 1224 CA PHE A 157 -0.846 -0.480 13.751 1.00 98.61 C
ATOM 1225 C PHE A 157 -1.346 -0.327 15.183 1.00 98.61 C
ATOM 1226 CB PHE A 157 0.027 -1.732 13.631 1.00 98.61 C
ATOM 1227 O PHE A 157 -2.458 -0.750 15.506 1.00 98.61 O
ATOM 1228 CG PHE A 157 0.479 -2.025 12.226 1.00 98.61 C
ATOM 1229 CD1 PHE A 157 1.572 -2.849 11.990 1.00 98.61 C
ATOM 1230 CD2 PHE A 157 -0.190 -1.475 11.140 1.00 98.61 C
ATOM 1231 CE1 PHE A 157 1.993 -3.122 10.690 1.00 98.61 C
ATOM 1232 CE2 PHE A 157 0.224 -1.743 9.839 1.00 98.61 C
ATOM 1233 CZ PHE A 157 1.316 -2.566 9.616 1.00 98.61 C
ATOM 1234 N ASN A 158 -0.528 0.335 16.027 1.00 98.66 N
ATOM 1235 CA ASN A 158 -0.983 0.624 17.383 1.00 98.66 C
ATOM 1236 C ASN A 158 -2.160 1.596 17.385 1.00 98.66 C
ATOM 1237 CB ASN A 158 0.165 1.180 18.227 1.00 98.66 C
ATOM 1238 O ASN A 158 -3.113 1.421 18.146 1.00 98.66 O
ATOM 1239 CG ASN A 158 1.227 0.140 18.527 1.00 98.66 C
ATOM 1240 ND2 ASN A 158 2.411 0.597 18.918 1.00 98.66 N
ATOM 1241 OD1 ASN A 158 0.986 -1.063 18.406 1.00 98.66 O
ATOM 1242 N ALA A 159 -2.066 2.571 16.553 1.00 98.81 N
ATOM 1243 CA ALA A 159 -3.165 3.529 16.458 1.00 98.81 C
ATOM 1244 C ALA A 159 -4.439 2.854 15.956 1.00 98.81 C
ATOM 1245 CB ALA A 159 -2.783 4.687 15.540 1.00 98.81 C
ATOM 1246 O ALA A 159 -5.535 3.144 16.440 1.00 98.81 O
ATOM 1247 N TRP A 160 -4.253 1.997 15.021 1.00 98.64 N
ATOM 1248 CA TRP A 160 -5.412 1.242 14.555 1.00 98.64 C
ATOM 1249 C TRP A 160 -6.013 0.415 15.687 1.00 98.64 C
ATOM 1250 CB TRP A 160 -5.025 0.329 13.388 1.00 98.64 C
ATOM 1251 O TRP A 160 -7.231 0.408 15.879 1.00 98.64 O
ATOM 1252 CG TRP A 160 -4.718 1.062 12.117 1.00 98.64 C
ATOM 1253 CD1 TRP A 160 -4.867 2.401 11.881 1.00 98.64 C
ATOM 1254 CD2 TRP A 160 -4.212 0.495 10.905 1.00 98.64 C
ATOM 1255 CE2 TRP A 160 -4.078 1.549 9.974 1.00 98.64 C
ATOM 1256 CE3 TRP A 160 -3.858 -0.803 10.515 1.00 98.64 C
ATOM 1257 NE1 TRP A 160 -4.484 2.700 10.594 1.00 98.64 N
ATOM 1258 CH2 TRP A 160 -3.266 0.064 8.321 1.00 98.64 C
ATOM 1259 CZ2 TRP A 160 -3.605 1.344 8.676 1.00 98.64 C
ATOM 1260 CZ3 TRP A 160 -3.387 -1.006 9.223 1.00 98.64 C
ATOM 1261 N ALA A 161 -5.219 -0.248 16.396 1.00 98.56 N
ATOM 1262 CA ALA A 161 -5.683 -1.092 17.494 1.00 98.56 C
ATOM 1263 C ALA A 161 -6.430 -0.270 18.540 1.00 98.56 C
ATOM 1264 CB ALA A 161 -4.507 -1.824 18.136 1.00 98.56 C
ATOM 1265 O ALA A 161 -7.445 -0.715 19.080 1.00 98.56 O
ATOM 1266 N GLN A 162 -5.988 0.963 18.735 1.00 98.48 N
ATOM 1267 CA GLN A 162 -6.627 1.851 19.700 1.00 98.48 C
ATOM 1268 C GLN A 162 -8.035 2.231 19.250 1.00 98.48 C
ATOM 1269 CB GLN A 162 -5.786 3.111 19.910 1.00 98.48 C
ATOM 1270 O GLN A 162 -8.868 2.628 20.067 1.00 98.48 O
ATOM 1271 CG GLN A 162 -4.511 2.873 20.709 1.00 98.48 C
ATOM 1272 CD GLN A 162 -3.639 4.110 20.804 1.00 98.48 C
ATOM 1273 NE2 GLN A 162 -2.561 4.018 21.575 1.00 98.48 N
ATOM 1274 OE1 GLN A 162 -3.930 5.141 20.188 1.00 98.48 O
ATOM 1275 N GLN A 163 -8.265 2.111 17.953 1.00 98.01 N
ATOM 1276 CA GLN A 163 -9.582 2.426 17.408 1.00 98.01 C
ATOM 1277 C GLN A 163 -10.405 1.159 17.194 1.00 98.01 C
ATOM 1278 CB GLN A 163 -9.448 3.194 16.092 1.00 98.01 C
ATOM 1279 O GLN A 163 -11.428 1.187 16.505 1.00 98.01 O
ATOM 1280 CG GLN A 163 -8.693 4.510 16.222 1.00 98.01 C
ATOM 1281 CD GLN A 163 -9.382 5.493 17.150 1.00 98.01 C
ATOM 1282 NE2 GLN A 163 -8.593 6.245 17.909 1.00 98.01 N
ATOM 1283 OE1 GLN A 163 -10.614 5.576 17.183 1.00 98.01 O
ATOM 1284 N GLY A 164 -9.922 0.044 17.728 1.00 98.05 N
ATOM 1285 CA GLY A 164 -10.645 -1.215 17.638 1.00 98.05 C
ATOM 1286 C GLY A 164 -10.395 -1.954 16.337 1.00 98.05 C
ATOM 1287 O GLY A 164 -11.152 -2.857 15.975 1.00 98.05 O
ATOM 1288 N LEU A 165 -9.429 -1.538 15.591 1.00 98.55 N
ATOM 1289 CA LEU A 165 -9.070 -2.184 14.334 1.00 98.55 C
ATOM 1290 C LEU A 165 -7.995 -3.243 14.554 1.00 98.55 C
ATOM 1291 CB LEU A 165 -8.581 -1.147 13.319 1.00 98.55 C
ATOM 1292 O LEU A 165 -6.870 -2.919 14.943 1.00 98.55 O
ATOM 1293 CG LEU A 165 -9.469 0.083 13.125 1.00 98.55 C
ATOM 1294 CD1 LEU A 165 -8.865 1.014 12.079 1.00 98.55 C
ATOM 1295 CD2 LEU A 165 -10.881 -0.334 12.726 1.00 98.55 C
ATOM 1296 N THR A 166 -8.281 -4.420 14.328 1.00 97.63 N
ATOM 1297 CA THR A 166 -7.402 -5.536 14.657 1.00 97.63 C
ATOM 1298 C THR A 166 -6.795 -6.139 13.393 1.00 97.63 C
ATOM 1299 CB THR A 166 -8.154 -6.628 15.440 1.00 97.63 C
ATOM 1300 O THR A 166 -7.518 -6.485 12.456 1.00 97.63 O
ATOM 1301 CG2 THR A 166 -7.213 -7.754 15.856 1.00 97.63 C
ATOM 1302 OG1 THR A 166 -8.738 -6.050 16.614 1.00 97.63 O
ATOM 1303 N LEU A 167 -5.552 -6.263 13.419 1.00 98.55 N
ATOM 1304 CA LEU A 167 -4.852 -7.013 12.382 1.00 98.55 C
ATOM 1305 C LEU A 167 -4.621 -8.456 12.817 1.00 98.55 C
ATOM 1306 CB LEU A 167 -3.514 -6.348 12.049 1.00 98.55 C
ATOM 1307 O LEU A 167 -4.441 -8.730 14.006 1.00 98.55 O
ATOM 1308 CG LEU A 167 -3.588 -4.990 11.349 1.00 98.55 C
ATOM 1309 CD1 LEU A 167 -2.207 -4.345 11.297 1.00 98.55 C
ATOM 1310 CD2 LEU A 167 -4.166 -5.142 9.946 1.00 98.55 C
ATOM 1311 N GLY A 168 -4.745 -9.406 11.885 1.00 97.85 N
ATOM 1312 CA GLY A 168 -4.389 -10.792 12.140 1.00 97.85 C
ATOM 1313 C GLY A 168 -2.920 -11.085 11.903 1.00 97.85 C
ATOM 1314 O GLY A 168 -2.056 -10.278 12.254 1.00 97.85 O
ATOM 1315 N THR A 169 -2.657 -12.291 11.455 1.00 98.32 N
ATOM 1316 CA THR A 169 -1.305 -12.666 11.059 1.00 98.32 C
ATOM 1317 C THR A 169 -0.892 -11.935 9.785 1.00 98.32 C
ATOM 1318 CB THR A 169 -1.187 -14.186 10.843 1.00 98.32 C
ATOM 1319 O THR A 169 -1.657 -11.877 8.820 1.00 98.32 O
ATOM 1320 CG2 THR A 169 0.272 -14.612 10.715 1.00 98.32 C
ATOM 1321 OG1 THR A 169 -1.776 -14.868 11.956 1.00 98.32 O
ATOM 1322 N MET A 170 0.270 -11.325 9.916 1.00 98.47 N
ATOM 1323 CA MET A 170 0.713 -10.512 8.787 1.00 98.47 C
ATOM 1324 C MET A 170 0.988 -11.381 7.565 1.00 98.47 C
ATOM 1325 CB MET A 170 1.966 -9.716 9.156 1.00 98.47 C
ATOM 1326 O MET A 170 1.570 -12.461 7.684 1.00 98.47 O
ATOM 1327 CG MET A 170 1.791 -8.824 10.374 1.00 98.47 C
ATOM 1328 SD MET A 170 0.448 -7.592 10.157 1.00 98.47 S
ATOM 1329 CE MET A 170 1.216 -6.496 8.932 1.00 98.47 C
ATOM 1330 N ASP A 171 0.491 -10.920 6.320 1.00 98.50 N
ATOM 1331 CA ASP A 171 0.883 -11.479 5.030 1.00 98.50 C
ATOM 1332 C ASP A 171 1.959 -10.624 4.365 1.00 98.50 C
ATOM 1333 CB ASP A 171 -0.332 -11.607 4.108 1.00 98.50 C
ATOM 1334 O ASP A 171 2.840 -10.089 5.041 1.00 98.50 O
ATOM 1335 CG ASP A 171 -0.142 -12.647 3.019 1.00 98.50 C
ATOM 1336 OD1 ASP A 171 -0.987 -13.561 2.894 1.00 98.50 O
ATOM 1337 OD2 ASP A 171 0.861 -12.555 2.279 1.00 98.50 O
ATOM 1338 N TYR A 172 1.897 -10.192 3.135 1.00 98.41 N
ATOM 1339 CA TYR A 172 2.986 -9.389 2.591 1.00 98.41 C
ATOM 1340 C TYR A 172 2.788 -7.912 2.912 1.00 98.41 C
ATOM 1341 CB TYR A 172 3.092 -9.584 1.075 1.00 98.41 C
ATOM 1342 O TYR A 172 1.667 -7.474 3.180 1.00 98.41 O
ATOM 1343 CG TYR A 172 1.891 -9.081 0.313 1.00 98.41 C
ATOM 1344 CD1 TYR A 172 1.780 -7.739 -0.045 1.00 98.41 C
ATOM 1345 CD2 TYR A 172 0.864 -9.945 -0.051 1.00 98.41 C
ATOM 1346 CE1 TYR A 172 0.674 -7.270 -0.746 1.00 98.41 C
ATOM 1347 CE2 TYR A 172 -0.247 -9.487 -0.752 1.00 98.41 C
ATOM 1348 OH TYR A 172 -1.430 -7.692 -1.789 1.00 98.41 O
ATOM 1349 CZ TYR A 172 -0.332 -8.150 -1.095 1.00 98.41 C
ATOM 1350 N GLN A 173 3.843 -7.152 3.033 1.00 98.65 N
ATOM 1351 CA GLN A 173 3.962 -5.718 3.277 1.00 98.65 C
ATOM 1352 C GLN A 173 4.979 -5.082 2.334 1.00 98.65 C
ATOM 1353 CB GLN A 173 4.355 -5.450 4.730 1.00 98.65 C
ATOM 1354 O GLN A 173 6.159 -5.435 2.356 1.00 98.65 O
ATOM 1355 CG GLN A 173 4.432 -3.971 5.085 1.00 98.65 C
ATOM 1356 CD GLN A 173 4.784 -3.734 6.541 1.00 98.65 C
ATOM 1357 NE2 GLN A 173 3.773 -3.464 7.359 1.00 98.65 N
ATOM 1358 OE1 GLN A 173 5.955 -3.794 6.928 1.00 98.65 O
ATOM 1359 N ILE A 174 4.478 -4.190 1.538 1.00 98.71 N
ATOM 1360 CA ILE A 174 5.349 -3.569 0.546 1.00 98.71 C
ATOM 1361 C ILE A 174 5.114 -2.060 0.524 1.00 98.71 C
ATOM 1362 CB ILE A 174 5.121 -4.167 -0.860 1.00 98.71 C
ATOM 1363 O ILE A 174 4.150 -1.568 1.115 1.00 98.71 O
ATOM 1364 CG1 ILE A 174 3.669 -3.950 -1.304 1.00 98.71 C
ATOM 1365 CG2 ILE A 174 5.482 -5.655 -0.880 1.00 98.71 C
ATOM 1366 CD1 ILE A 174 3.385 -4.395 -2.732 1.00 98.71 C
ATOM 1367 N VAL A 175 6.000 -1.323 -0.031 1.00 98.81 N
ATOM 1368 CA VAL A 175 5.739 0.026 -0.520 1.00 98.81 C
ATOM 1369 C VAL A 175 5.191 -0.036 -1.944 1.00 98.81 C
ATOM 1370 CB VAL A 175 7.011 0.902 -0.477 1.00 98.81 C
ATOM 1371 O VAL A 175 5.869 -0.514 -2.856 1.00 98.81 O
ATOM 1372 CG1 VAL A 175 6.720 2.305 -1.006 1.00 98.81 C
ATOM 1373 CG2 VAL A 175 7.565 0.968 0.945 1.00 98.81 C
ATOM 1374 N ALA A 176 4.036 0.409 -2.097 1.00 98.74 N
ATOM 1375 CA ALA A 176 3.319 0.118 -3.336 1.00 98.74 C
ATOM 1376 C ALA A 176 2.953 1.403 -4.073 1.00 98.74 C
ATOM 1377 CB ALA A 176 2.064 -0.701 -3.045 1.00 98.74 C
ATOM 1378 O ALA A 176 2.805 2.459 -3.454 1.00 98.74 O
ATOM 1379 N VAL A 177 2.934 1.347 -5.310 1.00 98.78 N
ATOM 1380 CA VAL A 177 2.258 2.295 -6.190 1.00 98.78 C
ATOM 1381 C VAL A 177 1.003 1.651 -6.776 1.00 98.78 C
ATOM 1382 CB VAL A 177 3.188 2.781 -7.324 1.00 98.78 C
ATOM 1383 O VAL A 177 1.055 0.531 -7.290 1.00 98.78 O
ATOM 1384 CG1 VAL A 177 2.429 3.683 -8.295 1.00 98.78 C
ATOM 1385 CG2 VAL A 177 4.398 3.511 -6.745 1.00 98.78 C
ATOM 1386 N GLN A 178 -0.078 2.275 -6.643 1.00 98.40 N
ATOM 1387 CA GLN A 178 -1.369 1.811 -7.141 1.00 98.40 C
ATOM 1388 C GLN A 178 -2.014 2.853 -8.050 1.00 98.40 C
ATOM 1389 CB GLN A 178 -2.305 1.477 -5.979 1.00 98.40 C
ATOM 1390 O GLN A 178 -2.003 4.047 -7.741 1.00 98.40 O
ATOM 1391 CG GLN A 178 -3.667 0.956 -6.417 1.00 98.40 C
ATOM 1392 CD GLN A 178 -4.496 0.435 -5.258 1.00 98.40 C
ATOM 1393 NE2 GLN A 178 -5.806 0.342 -5.461 1.00 98.40 N
ATOM 1394 OE1 GLN A 178 -3.964 0.120 -4.189 1.00 98.40 O
ATOM 1395 N GLY A 179 -2.561 2.423 -9.156 1.00 98.08 N
ATOM 1396 CA GLY A 179 -3.252 3.303 -10.085 1.00 98.08 C
ATOM 1397 C GLY A 179 -4.645 2.821 -10.440 1.00 98.08 C
ATOM 1398 O GLY A 179 -4.915 1.618 -10.419 1.00 98.08 O
ATOM 1399 N TYR A 180 -5.564 3.717 -10.765 1.00 97.22 N
ATOM 1400 CA TYR A 180 -6.935 3.444 -11.183 1.00 97.22 C
ATOM 1401 C TYR A 180 -7.389 4.436 -12.247 1.00 97.22 C
ATOM 1402 CB TYR A 180 -7.884 3.498 -9.981 1.00 97.22 C
ATOM 1403 O TYR A 180 -7.553 5.625 -11.967 1.00 97.22 O
ATOM 1404 CG TYR A 180 -9.281 3.019 -10.289 1.00 97.22 C
ATOM 1405 CD1 TYR A 180 -9.532 1.678 -10.574 1.00 97.22 C
ATOM 1406 CD2 TYR A 180 -10.353 3.905 -10.298 1.00 97.22 C
ATOM 1407 CE1 TYR A 180 -10.818 1.232 -10.860 1.00 97.22 C
ATOM 1408 CE2 TYR A 180 -11.644 3.470 -10.583 1.00 97.22 C
ATOM 1409 OH TYR A 180 -13.141 1.698 -11.145 1.00 97.22 O
ATOM 1410 CZ TYR A 180 -11.866 2.134 -10.862 1.00 97.22 C
ATOM 1411 N PHE A 181 -7.507 3.883 -13.481 1.00 96.67 N
ATOM 1412 CA PHE A 181 -7.927 4.687 -14.622 1.00 96.67 C
ATOM 1413 C PHE A 181 -7.176 6.012 -14.657 1.00 96.67 C
ATOM 1414 CB PHE A 181 -9.437 4.940 -14.577 1.00 96.67 C
ATOM 1415 O PHE A 181 -7.788 7.076 -14.774 1.00 96.67 O
ATOM 1416 CG PHE A 181 -10.267 3.707 -14.811 1.00 96.67 C
ATOM 1417 CD1 PHE A 181 -10.979 3.124 -13.770 1.00 96.67 C
ATOM 1418 CD2 PHE A 181 -10.335 3.130 -16.072 1.00 96.67 C
ATOM 1419 CE1 PHE A 181 -11.748 1.982 -13.983 1.00 96.67 C
ATOM 1420 CE2 PHE A 181 -11.101 1.989 -16.293 1.00 96.67 C
ATOM 1421 CZ PHE A 181 -11.806 1.417 -15.247 1.00 96.67 C
ATOM 1422 N SER A 182 -5.813 5.845 -14.734 1.00 98.10 N
ATOM 1423 CA SER A 182 -4.906 6.988 -14.724 1.00 98.10 C
ATOM 1424 C SER A 182 -3.615 6.676 -15.474 1.00 98.10 C
ATOM 1425 CB SER A 182 -4.583 7.404 -13.289 1.00 98.10 C
ATOM 1426 O SER A 182 -3.507 5.636 -16.128 1.00 98.10 O
ATOM 1427 OG SER A 182 -3.793 6.418 -12.645 1.00 98.10 O
ATOM 1428 N SER A 183 -2.684 7.620 -15.447 1.00 98.42 N
ATOM 1429 CA SER A 183 -1.342 7.505 -16.007 1.00 98.42 C
ATOM 1430 C SER A 183 -0.291 8.035 -15.038 1.00 98.42 C
ATOM 1431 CB SER A 183 -1.249 8.257 -17.336 1.00 98.42 C
ATOM 1432 O SER A 183 -0.629 8.611 -14.002 1.00 98.42 O
ATOM 1433 OG SER A 183 -2.198 7.759 -18.263 1.00 98.42 O
ATOM 1434 N GLY A 184 0.901 7.625 -15.265 1.00 98.38 N
ATOM 1435 CA GLY A 184 1.968 8.158 -14.432 1.00 98.38 C
ATOM 1436 C GLY A 184 3.217 7.297 -14.438 1.00 98.38 C
ATOM 1437 O GLY A 184 3.400 6.467 -15.330 1.00 98.38 O
ATOM 1438 N SER A 185 4.098 7.727 -13.642 1.00 98.59 N
ATOM 1439 CA SER A 185 5.332 6.976 -13.435 1.00 98.59 C
ATOM 1440 C SER A 185 5.799 7.068 -11.986 1.00 98.59 C
ATOM 1441 CB SER A 185 6.432 7.487 -14.366 1.00 98.59 C
ATOM 1442 O SER A 185 5.431 8.000 -11.268 1.00 98.59 O
ATOM 1443 OG SER A 185 6.760 8.833 -14.068 1.00 98.59 O
ATOM 1444 N ALA A 186 6.442 6.044 -11.602 1.00 98.74 N
ATOM 1445 CA ALA A 186 7.050 6.030 -10.274 1.00 98.74 C
ATOM 1446 C ALA A 186 8.322 5.188 -10.262 1.00 98.74 C
ATOM 1447 CB ALA A 186 6.057 5.504 -9.240 1.00 98.74 C
ATOM 1448 O ALA A 186 8.422 4.193 -10.984 1.00 98.74 O
ATOM 1449 N SER A 187 9.290 5.652 -9.593 1.00 98.69 N
ATOM 1450 CA SER A 187 10.510 4.932 -9.242 1.00 98.69 C
ATOM 1451 C SER A 187 10.787 5.011 -7.744 1.00 98.69 C
ATOM 1452 CB SER A 187 11.703 5.488 -10.020 1.00 98.69 C
ATOM 1453 O SER A 187 11.073 6.087 -7.216 1.00 98.69 O
ATOM 1454 OG SER A 187 12.884 4.768 -9.712 1.00 98.69 O
ATOM 1455 N ILE A 188 10.734 3.842 -7.144 1.00 98.72 N
ATOM 1456 CA ILE A 188 10.785 3.815 -5.686 1.00 98.72 C
ATOM 1457 C ILE A 188 11.870 2.845 -5.226 1.00 98.72 C
ATOM 1458 CB ILE A 188 9.419 3.420 -5.081 1.00 98.72 C
ATOM 1459 O ILE A 188 12.065 1.789 -5.832 1.00 98.72 O
ATOM 1460 CG1 ILE A 188 8.331 4.402 -5.529 1.00 98.72 C
ATOM 1461 CG2 ILE A 188 9.504 3.357 -3.553 1.00 98.72 C
ATOM 1462 CD1 ILE A 188 8.579 5.840 -5.096 1.00 98.72 C
ATOM 1463 N THR A 189 12.615 3.198 -4.179 1.00 98.82 N
ATOM 1464 CA THR A 189 13.565 2.329 -3.493 1.00 98.82 C
ATOM 1465 C THR A 189 13.135 2.092 -2.048 1.00 98.82 C
ATOM 1466 CB THR A 189 14.985 2.924 -3.518 1.00 98.82 C
ATOM 1467 O THR A 189 12.957 3.043 -1.284 1.00 98.82 O
ATOM 1468 CG2 THR A 189 15.982 1.998 -2.830 1.00 98.82 C
ATOM 1469 OG1 THR A 189 15.391 3.119 -4.879 1.00 98.82 O
ATOM 1470 N VAL A 190 13.025 0.851 -1.670 1.00 98.38 N
ATOM 1471 CA VAL A 190 12.558 0.448 -0.348 1.00 98.38 C
ATOM 1472 C VAL A 190 13.720 -0.131 0.456 1.00 98.38 C
ATOM 1473 CB VAL A 190 11.409 -0.580 -0.440 1.00 98.38 C
ATOM 1474 O VAL A 190 14.562 -0.849 -0.088 1.00 98.38 O
ATOM 1475 CG1 VAL A 190 10.896 -0.943 0.953 1.00 98.38 C
ATOM 1476 CG2 VAL A 190 10.274 -0.035 -1.306 1.00 98.38 C
ATOM 1477 N SER A 191 13.822 0.347 1.582 1.00 97.40 N
ATOM 1478 CA SER A 191 14.748 -0.286 2.515 1.00 97.40 C
ATOM 1479 C SER A 191 14.150 -0.371 3.915 1.00 97.40 C
ATOM 1480 CB SER A 191 16.070 0.482 2.563 1.00 97.40 C
ATOM 1481 O SER A 191 13.308 0.449 4.287 1.00 97.40 O
ATOM 1482 OG SER A 191 15.883 1.771 3.121 1.00 97.40 O
TER 1483 SER A 191
ENDMDL
END
experiments/test_templates_openfold.py 0 → 100644
View file @ 3bec3e9b
# Adapted from https://www.github.com/jproney/AF2Rank/blob/master/test_templates.py
# Copyright 2024 AlQuraishi Laboratory
#
# Licensed under the Apache License, Version 2.0 (the "License");
# you may not use this file except in compliance with the License.
# You may obtain a copy of the License at
#
# http://www.apache.org/licenses/LICENSE-2.0
#
# Unless required by applicable law or agreed to in writing, software
# distributed under the License is distributed on an "AS IS" BASIS,
# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
# See the License for the specific language governing permissions and
# limitations under the License.
import sys
import os
import argparse
import traceback
import jax
import jax.numpy as jnp
import numpy as np
import re
import subprocess
import torch
from collections import namedtuple
from copy import deepcopy
parser = argparse.ArgumentParser()
parser.add_argument("name", help="name to save everything under")
parser.add_argument("--target_list", nargs='*', help="List of target names to run")
parser.add_argument("--targets_file", default="", help="File with list of target names to run")
parser.add_argument("--recycles", type=int, default=1, help="Number of recycles when predicting")
parser.add_argument("--model_name", type=str, default="model_1_ptm", help="Which OF model to use")
parser.add_argument("--seed", type=int, default=0, help="RNG Seed")
parser.add_argument("--verbose", action='store_true', help="print extra")
parser.add_argument("--deterministic", action='store_true', help="make all data processing deterministic (no masking, etc.)")
parser.add_argument("--use_native", action='store_true', help="add the native structure as a decoy, and compare outputs against it")
parser.add_argument("--mask_sidechains", action='store_true', help="mask out sidechain atoms except for C-Beta")
parser.add_argument("--mask_sidechains_add_cb", action='store_true', help="mask out sidechain atoms except for C-Beta, and add C-Beta to glycines")
parser.add_argument("--seq_replacement", default='', help="Amino acid residue to fill the decoy sequence with. Default keeps target sequence")
parser.add_argument("--of_dir", default="/home/user/openfold/", help="OpenFold code and weights directory")
parser.add_argument("--esm_dir", help="ESM1b embeddings directory, containing embeddings as *.pt")
parser.add_argument("--decoy_dir", default="/home/user/openfold/rosetta_decoy_set/", help="Rosetta decoy directory")
parser.add_argument("--output_dir", default="/home/user/ofss_ranking_experiment/outputs/", help="Rosetta decoy directory")
parser.add_argument("--openfold_checkpoint_path", help="Path to the OpenFold model checkpoint")
parser.add_argument("--jax_param_path", help="Path to the JAX parameters checkpoint")
parser.add_argument("--model_device", default="cpu", help="Device to run the model on")
parser.add_argument("--tm_exec", default="/home/user/tmscore/TMscore", help="TMScore executable")
args = parser.parse_args()
sys.path.insert(0, args.of_dir)
# openfold imports
from openfold import config
from openfold.data import data_pipeline
from openfold.data import feature_pipeline
from openfold.np import protein
from openfold.np import residue_constants
from openfold.utils.tensor_utils import tensor_tree_map
from openfold.utils.script_utils import load_models_from_command_line, run_model
# helper functions
"""
Read in a PDB file from a path
"""
def pdb_to_string(pdb_file):
lines = []
for line in open(pdb_file,"r"):
if line[:6] == "HETATM" and line[17:20] == "MSE":
line = "ATOM "+line[6:17]+"MET"+line[20:]
if line[:4] == "ATOM":
lines.append(line)
return "".join(lines)
"""
Compute aligned RMSD between two corresponding sets of points
true -- set of reference points. Numpy array of dimension N x 3
pred -- set of predicted points, Numpy array of dimension N x 3
"""
def jnp_rmsd(true, pred):
def kabsch(P, Q):
V, S, W = jnp.linalg.svd(P.T @ Q, full_matrices=False)
flip = jax.nn.sigmoid(-10 * jnp.linalg.det(V) * jnp.linalg.det(W))
S = flip * S.at[-1].set(-S[-1]) + (1-flip) * S
V = flip * V.at[:,-1].set(-V[:,-1]) + (1-flip) * V
return V@W
p = true - true.mean(0,keepdims=True)
q = pred - pred.mean(0,keepdims=True)
p = p @ kabsch(p,q)
loss = jnp.sqrt(jnp.square(p-q).sum(-1).mean() + 1e-8)
return float(loss)
"""
Create an OpenFold model runner
name -- The name of the model to get the parameters from. Options: model_[1-5]
"""
def make_model_runner(name, recycles, args):
cfg = config.model_config(name)
cfg.data.common.max_recycling_iters = recycles
if args.deterministic:
cfg.data.eval.masked_msa_replace_fraction = 0.0
cfg.data.predict.masked_msa_replace_fraction = 0.0
model_generator = load_models_from_command_line(cfg, args.model_device, args.openfold_checkpoint_path, args.jax_param_path, args.output_dir)
model, _ = model_generator.__next__()
return model, cfg
"""
Make a set of empty features for no-template evaluations
"""
def empty_placeholder_template_features(num_templates, num_res):
return {
'template_aatype': np.zeros((num_templates, num_res), dtype=np.int64),
'template_all_atom_mask': np.zeros(
(num_templates, num_res, residue_constants.atom_type_num),
dtype=np.float32),
'template_all_atom_positions': np.zeros(
(num_templates, num_res, residue_constants.atom_type_num, 3),
dtype=np.float32),
'template_domain_names': np.zeros([num_templates], dtype=object),
'template_sequence': np.zeros([num_templates], dtype=object),
'template_sum_probs': np.zeros([num_templates, 1], dtype=np.float32),
}
def make_embedding_features(args, label):
seqemb_features = {}
path = os.path.join(args.esm_dir, label+'.pt')
# Load embedding file
seqemb_data = torch.load(path)
seqemb_features["seq_embedding"] = seqemb_data["representations"][33]
return seqemb_features
"""
Create a feature dictionary for input to OpenFold
runner - The model runner being invoked. Returned from `make_model_runner`
sequence - The target sequence being predicted
templates - The template features being added to the inputs
seed - The random seed being used for data processing
"""
def make_processed_feature_dict(cfg, sequence, name="test", templates=None, seed=0):
feature_dict = {}
feature_dict.update(data_pipeline.make_sequence_features(sequence, name, len(sequence)))
msa = [[sequence]]
deletion_matrix = [[[0 for _ in sequence]]]
feature_dict.update(data_pipeline.make_msa_features(msa, deletion_matrix))
if templates is not None:
feature_dict.update(templates)
else:
feature_dict.update(empty_placeholder_template_features(num_templates=0, num_res=len(sequence)))
feature_dict.update(make_embedding_features(args, name.split('_')[0]))
feature_processor = feature_pipeline.FeaturePipeline(cfg.data)
processed_feature_dict = feature_processor.process_features(feature_dict, mode='predict')
processed_feature_dict = {
k: torch.as_tensor(v, device=args.model_device)
for k, v in processed_feature_dict.items()
}
return processed_feature_dict
"""
Package OpenFold's output into an easy-to-use dictionary
prediction_result - output from running OpenFold on an input dictionary
processed_feature_dict -- The dictionary passed to OpenFold as input. Returned by `make_processed_feature_dict`.
"""
def parse_results(prediction_result, processed_feature_dict):
b_factors = prediction_result['plddt'][:,None] * prediction_result['final_atom_mask']
out = {"unrelaxed_protein": protein.from_prediction(processed_feature_dict, prediction_result, b_factors=b_factors),
"plddt": prediction_result['plddt'],
"pLDDT": prediction_result['plddt'].mean(),}
out.update({"pTMscore": prediction_result['predicted_tm_score']})
return out
'''
Function used to add C-Beta to glycine resides
input: 3 coords (a,b,c), (L)ength, (A)ngle, and (D)ihedral
output: 4th coord
'''
def extend(a,b,c, L,A,D):
N = lambda x: x/np.sqrt(np.square(x).sum(-1,keepdims=True) + 1e-8)
bc = N(b-c)
n = N(np.cross(b-a, bc))
m = [bc,np.cross(n,bc),n]
d = [L*np.cos(A), L*np.sin(A)*np.cos(D), -L*np.sin(A)*np.sin(D)]
return c + sum([m*d for m,d in zip(m,d)])
"""
Ingest a decoy protein, pass it to OpenFold as a template, and extract the parsed output
target_seq -- the sequence to be predicted
decoy_prot -- the decoy structure to be injected as a template
model_runner -- the model runner to execute
name -- the name associated with this prediction
"""
def score_decoy(target_seq, decoy_prot, model_runner, name):
decoy_seq_in = "".join([residue_constants.restypes[x] for x in decoy_prot.aatype]) # the sequence in the decoy PDB file
mismatch = False
if decoy_seq_in == target_seq:
assert jnp.all(decoy_prot.residue_index - 1 == np.arange(len(target_seq)))
else: # case when template is missing some residues
if args.verbose:
print("Sequence mismatch: {}".format(name))
mismatch=True
assert "".join(target_seq[i-1] for i in decoy_prot.residue_index) == decoy_seq_in
# use this to index into the template features
template_idxs = decoy_prot.residue_index-1
template_idx_set = set(template_idxs)
# The sequence associated with the decoy. Always has same length as target sequence.
decoy_seq = args.seq_replacement*len(target_seq) if len(args.seq_replacement) == 1 else target_seq
# create empty template features
pos = np.zeros([1,len(decoy_seq), 37, 3])
atom_mask = np.zeros([1, len(decoy_seq), 37])
if args.mask_sidechains_add_cb:
pos[0, template_idxs, :5] = decoy_prot.atom_positions[:,:5]
# residues where we have all of the key backbone atoms (N CA C)
backbone_modelled = np.asarray(jnp.all(decoy_prot.atom_mask[:,[0,1,2]] == 1, axis=1))
backbone_idx_set = set(decoy_prot.residue_index[backbone_modelled] - 1)
projected_cb = [i-1 for i,b,m in zip(decoy_prot.residue_index, backbone_modelled, decoy_prot.atom_mask) if m[3] == 0 and b]
projected_cb_set = set(projected_cb)
gly_idx = [i for i,a in enumerate(target_seq) if a == "G"]
assert all([k in projected_cb_set for k in gly_idx if k in template_idx_set and k in backbone_idx_set]) # make sure we are adding CBs to all of the glycines
cbs = np.array([extend(c,n,ca, 1.522, 1.927, -2.143) for c, n ,ca in zip(pos[0,:,2], pos[0,:,0], pos[0,:,1])])
pos[0, projected_cb, 3] = cbs[projected_cb]
atom_mask[0, template_idxs, :5] = decoy_prot.atom_mask[:, :5]
atom_mask[0, projected_cb, 3] = 1
template = {"template_aatype":residue_constants.sequence_to_onehot(decoy_seq, residue_constants.HHBLITS_AA_TO_ID)[None],
"template_all_atom_mask": atom_mask.astype(np.float32),
"template_all_atom_positions":pos.astype(np.float32),
"template_domain_names":np.asarray(["None"])}
elif args.mask_sidechains:
pos[0, template_idxs, :5] = decoy_prot.atom_positions[:,:5]
atom_mask[0, template_idxs, :5] = decoy_prot.atom_mask[:,:5]
template = {"template_aatype":residue_constants.sequence_to_onehot(decoy_seq, residue_constants.HHBLITS_AA_TO_ID)[None],
"template_all_atom_mask": atom_mask.astype(np.float32),
"template_all_atom_positions": pos.astype(np.float32),
"template_domain_names":np.asarray(["None"])}
else:
pos[0, template_idxs] = decoy_prot.atom_positions
atom_mask[0, template_idxs] = decoy_prot.atom_mask
template = {"template_aatype":residue_constants.sequence_to_onehot(decoy_seq, residue_constants.HHBLITS_AA_TO_ID)[None],
"template_all_atom_mask":decoy_prot.atom_mask[None].astype(np.float32),
"template_all_atom_positions":decoy_prot.atom_positions[None].astype(np.float32),
"template_domain_names":np.asarray(["None"])}
features = make_processed_feature_dict(cfg, target_seq, name=name, templates=template, seed=args.seed)
#with open(os.path.join(args.output_dir, name + '_features.pt'), 'wb') as outfile:
# torch.save(features, outfile)
working_batch = deepcopy(features)
out, inference_time = run_model(model_runner, working_batch, name, args.output_dir)
print(f"{name} done. Inference time: ", inference_time)
working_batch = tensor_tree_map(lambda x: np.array(x[..., -1].cpu()), working_batch)
out = tensor_tree_map(lambda x: np.array(x.cpu()), out)
result = parse_results(out, working_batch)
return result, mismatch
tm_re = re.compile(r'TM-score[\s]*=[\s]*(\d.\d+)')
ref_len_re = re.compile(r'Length=[\s]*(\d+)[\s]*\(by which all scores are normalized\)')
common_re = re.compile(r'Number of residues in common=[\s]*(\d+)')
super_re = re.compile(r'\(":" denotes the residue pairs of distance < 5\.0 Angstrom\)\\n([A-Z\-]+)\\n[" ", :]+\\n([A-Z\-]+)\\n')
"""
Compute TM Scores between two PDBs and parse outputs
pdb_pred -- The path to the predicted PDB
pdb_native -- The path to the native PDB
test_len -- run asserts that the input and output should have the same length
"""
def compute_tmscore(pdb_pred, pdb_native, test_len=True):
cmd = ([args.tm_exec, pdb_pred, pdb_native])
tmscore_output = str(subprocess.check_output(cmd))
try:
tm_out = float(tm_re.search(tmscore_output).group(1))
reflen = int(ref_len_re.search(tmscore_output).group(1))
common = int(common_re.search(tmscore_output).group(1))
seq1 = super_re.search(tmscore_output).group(1)
seq2 = super_re.search(tmscore_output).group(1)
except Exception as e:
print("Failed on: " + " ".join(cmd))
raise e
if test_len:
assert reflen == common, cmd
assert seq1 == seq2, cmd
assert len(seq1) == reflen, cmd
return tm_out
# Simple wrapper for keeping track of the information associated with each decoy.
decoy_fields_list = ['target', 'decoy_id', 'decoy_path', 'rmsd', 'rosettascore', 'gdt_ts', 'tmscore', 'danscore']
Decoy = namedtuple("Decoy", decoy_fields_list)
# headers for csv outputs
csv_headers = decoy_fields_list + ['output_path', 'rmsd_out', 'tm_diff', 'tm_out', 'plddt', 'ptm']
def write_results(decoy, af_result, prot_native=None, pdb_native=None, mismatch=False):
plddt = float(af_result['pLDDT'])
if "pTMscore" not in af_result:
ptm = -1
else:
ptm = float(af_result["pTMscore"])
if prot_native is None:
rms_out = -1
else:
rms_out = jnp_rmsd(jnp.asarray(prot_native.atom_positions[:,1,:]), jnp.asarray(af_result['unrelaxed_protein'].atom_positions[:,1,:]))
pdb_lines = protein.to_pdb(af_result["unrelaxed_protein"])
pdb_out_path = args.output_dir + args.name + "/pdbs/" + decoy.target + "_" + decoy.decoy_id
with open(pdb_out_path, 'w') as f:
f.write(pdb_lines)
if decoy.decoy_id != "none.pdb":
tm_diff = compute_tmscore(decoy.decoy_path, pdb_out_path, test_len = not mismatch)
else:
tm_diff = -1
if pdb_native is None:
tm_out = -1
else:
tm_out = compute_tmscore(pdb_out_path, pdb_native)
if not os.path.exists(args.output_dir + args.name + "/results/results_{}.csv".format(decoy.target)):
with open(args.output_dir + args.name + "/results/results_{}.csv".format(decoy.target), "w") as f:
f.write(",".join(csv_headers) + "\n")
with open(args.output_dir + args.name + "/results/results_{}.csv".format(decoy.target), "a") as f:
result_fields = [str(x) for x in list(decoy) + [pdb_out_path, rms_out, tm_diff, tm_out, plddt, ptm]]
f.write(",".join(result_fields) + "\n")
if args.verbose:
print(",".join([x + "=" + y for x,y in zip(csv_headers, result_fields)]))
# create all of the output directories
os.makedirs(args.output_dir + args.name, exist_ok=True)
os.makedirs(args.output_dir + args.name + "/pdbs", exist_ok=True)
os.makedirs(args.output_dir + args.name + "/results", exist_ok=True)
if len(args.targets_file) > 0:
natives_list = open(args.targets_file, 'r').read().split("\n")[:-1]
else:
natives_list = args.target_list
finished_decoys = []
for n in natives_list:
if os.path.exists(args.output_dir + args.name + "/results/results_{}.csv".format(n)):
finished_decoys += [x.split(",")[0] + "_" + x.split(",")[1] for x in open(args.output_dir + args.name + "/results/results_{}.csv".format(n), "r").readlines()]
finished_decoys = set(finished_decoys)
if os.path.exists(args.output_dir + args.name + "/finished_targets.txt"):
finished_targets = set(open(args.output_dir + args.name + "/finished_targets.txt", 'r').read().split("\n")[:-1])
else:
finished_targets = []
# info of the form "target decoy_id"
decoy_list = [x.split() for x in open(args.decoy_dir + "decoy_list.txt", 'r').read().split("\n")[:-1]]
# parse all of the information about the decoys
decoy_data = {}
for field in decoy_fields_list[2:]:
if os.path.exists(args.decoy_dir + field + ".txt"):
lines = [x.split() for x in open(args.decoy_dir + field + ".txt", 'r').read().split("\n")[:-1]] # form "target decoy_id metric value"
# make sure everything is in the same order
for i,l in enumerate(lines):
assert l[0] == decoy_list[i][0]
assert l[1] == decoy_list[i][1]
decoy_data[field] = [l[-1] for l in lines]
else:
decoy_data[field] = [-1]*len(decoy_list) # -1 as a placeholder
decoy_dict = {n : [] for n in natives_list if n not in finished_targets} # key = target name, value = list of Decoy objects
for i, d in enumerate(decoy_list):
decoy = Decoy(target=d[0], decoy_id=d[1], decoy_path=args.decoy_dir + "decoys/" + d[0] + "/" + d[1],
rmsd = decoy_data["rmsd"][i], rosettascore = decoy_data["rosettascore"][i], gdt_ts = decoy_data["gdt_ts"][i],
tmscore=decoy_data["tmscore"][i], danscore = decoy_data["danscore"][i])
if decoy.target in decoy_dict and decoy.target + "_" + decoy.decoy_id not in finished_decoys:
decoy_dict[decoy.target].append(decoy)
# add another decoy entry for the native structure
if args.use_native:
for n in decoy_dict.keys():
if n + "_native" not in finished_decoys:
decoy_dict[n].insert(0, Decoy(target=n, decoy_id="native.pdb", decoy_path=args.decoy_dir + "natives/" + n + ".pdb",
rmsd = 0, rosettascore = -1, gdt_ts = 1, tmscore = 1, danscore = -1))
if args.verbose:
print(finished_decoys)
model_name = args.model_name
results_key = model_name + "_seed_{}".format(args.seed)
for n in natives_list:
try:
pdb_native = args.decoy_dir + "natives/" + n + ".pdb"
prot_native = protein.from_pdb_string(pdb_to_string(pdb_native))
seq_native = "".join([residue_constants.restypes[x] for x in prot_native.aatype])
runner, cfg = make_model_runner(model_name, args.recycles, args)
if n + "_none.pdb" not in finished_decoys:
# run the model with no templates
features = make_processed_feature_dict(cfg, seq_native, name=n + "_none", seed=args.seed)
working_batch = deepcopy(features)
out, inference_time = run_model(runner, working_batch, n + "_none", args.output_dir)
print(f"{n}_none done. Inference time: ", inference_time)
working_batch = tensor_tree_map(lambda x: np.array(x[..., -1].cpu()), working_batch)
out = tensor_tree_map(lambda x: np.array(x.cpu()), out)
result = parse_results(out, working_batch)
dummy_decoy = Decoy(target=n, decoy_id="none.pdb", decoy_path="_", rmsd=-1, rosettascore=-1, gdt_ts=-1, tmscore=-1,danscore=-1)
write_results(dummy_decoy, result, prot_native=prot_native if args.use_native else None, pdb_native=pdb_native if args.use_native else None)
# run the model with all of the decoys passed as templates
for d in decoy_dict[n]:
prot = protein.from_pdb_string(pdb_to_string(d.decoy_path))
result, mismatch = score_decoy(seq_native, prot, runner, d.target + "_" + d.decoy_id)
write_results(d, result, prot_native=prot_native if args.use_native else None, pdb_native=pdb_native if args.use_native else None, mismatch=mismatch)
with open(args.output_dir + args.name + "/finished_targets.txt", 'a') as f:
f.write(n + "\n")
except AssertionError as ae:
print(f"AssertionError encountered while processing a decoy of native {n}")
traceback.print_exc()
except Exception as e:
print(f"Exception encountered while processing a decoy of native {n}")
traceback.print_exc()
notebooks/OpenFold.ipynb
View file @ 3bec3e9b
{
"cells": [
{
"cell_type": "markdown",
"metadata": {
"id": "view-in-github"
},
"source": [
"<a href=\"https://colab.research.google.com/github/aqlaboratory/openfold/blob/main/notebooks/OpenFold.ipynb\" target=\"_parent\"><img src=\"https://colab.research.google.com/assets/colab-badge.svg\" alt=\"Open In Colab\"/></a>"
]
},
{
"cell_type": "markdown",
"metadata": {
......@@ -136,7 +127,7 @@
"\n",
" %shell mkdir -p /content/openfold/openfold/resources\n",
"\n",
" commit = \"e2e19f16676b1a409f9ba3a6f69b11ee7f5887c2\"\n",
" commit = \"a96ffd67f8c96f8c4decc3abdd2cffbb57fc5764\"\n",
" os.system(f\"pip install -q git+https://github.com/aqlaboratory/openfold.git@{commit}\")\n",
"\n",
" os.system(f\"cp -f -p /content/stereo_chemical_props.txt /usr/local/lib/python{python_version}/site-packages/openfold/resources/\")\n",
......@@ -259,7 +250,7 @@
"from openfold.np import protein\n",
"from openfold.np.relax import relax\n",
"from openfold.np.relax.utils import overwrite_b_factors\n",
"from openfold.utils.import_weights import import_jax_weights_\n",
"from openfold.utils.import_weights import import_jax_weights_, import_openfold_weights_\n",
"from openfold.utils.tensor_utils import tensor_tree_map\n",
"\n",
"from IPython import display\n",
......@@ -582,7 +573,7 @@
" model_name,\n",
" )\n",
" d = torch.load(params_name)\n",
" openfold_model.load_state_dict(d)\n",
" import_openfold_weights_(model=openfold_model, state_dict=d)\n",
" else:\n",
" raise ValueError(f\"Invalid weight set: {weight_set}\")\n",
"\n",
......
openfold/config.py
View file @ 3bec3e9b
......@@ -62,7 +62,8 @@ def model_config(
name,
train=False,
low_prec=False,
long_sequence_inference=False
long_sequence_inference=False,
use_deepspeed_evoformer_attention=False,
):
c = copy.deepcopy(config)
# TRAINING PRESETS
......@@ -237,6 +238,9 @@ def model_config(
c.model.extra_msa.extra_msa_stack.tune_chunk_size = False
c.model.evoformer_stack.tune_chunk_size = False
if use_deepspeed_evoformer_attention:
c.globals.use_deepspeed_evo_attention = True
if train:
c.globals.blocks_per_ckpt = 1
c.globals.chunk_size = None
......
openfold/data/data_modules.py
View file @ 3bec3e9b
......@@ -1053,7 +1053,6 @@ class OpenFoldDataModule(pl.LightningDataModule):
def val_dataloader(self):
if self.eval_dataset is not None:
return self._gen_dataloader("eval")
# Temp fix to pass the validation step
return []
def predict_dataloader(self):
......
openfold/data/mmcif_parsing.py
View file @ 3bec3e9b
......@@ -24,7 +24,7 @@ import os
from typing import Any, Mapping, Optional, Sequence, Tuple
from Bio import PDB
from Bio.Data import SCOPData
from Bio.Data import PDBData
import numpy as np
from openfold.data.errors import MultipleChainsError
......@@ -283,7 +283,7 @@ def parse(
author_chain = mmcif_to_author_chain_id[chain_id]
seq = []
for monomer in seq_info:
code = SCOPData.protein_letters_3to1.get(monomer.id, "X")
code = PDBData.protein_letters_3to1.get(monomer.id, "X")
seq.append(code if len(code) == 1 else "X")
seq = "".join(seq)
author_chain_to_sequence[author_chain] = seq
......@@ -347,6 +347,7 @@ def _get_header(parsed_info: MmCIFDict) -> PdbHeader:
try:
raw_resolution = parsed_info[res_key][0]
header["resolution"] = float(raw_resolution)
break
except ValueError:
logging.debug(
"Invalid resolution format: %s", parsed_info[res_key]
......
openfold/utils/import_weights.py
View file @ 3bec3e9b
......@@ -14,6 +14,7 @@
# limitations under the License.
import re
import logging
from enum import Enum
from dataclasses import dataclass
from functools import partial
......@@ -681,15 +682,18 @@ def convert_deprecated_v1_keys(state_dict):
}
convert_key_re = re.compile("(%s)" % "|".join(map(re.escape, replacements.keys())))
template_emb_re = re.compile(r"^((module\.)?(model\.)?)(template(?!_embedder).*)")
converted_state_dict = {}
for key, value in state_dict.items():
# For each match, look-up replacement value in the dictionary
new_key = convert_key_re.sub(lambda m: replacements[m.group()], key)
new_key = convert_key_re.sub(lambda m: replacements[m.group(1)], key)
# Add prefix for template modules
if new_key.startswith('template'):
new_key = f'template_embedder.{new_key}'
# Add prefix for template layers
template_match = re.match(template_emb_re, new_key)
if template_match:
prefix = template_match.group(1)
new_key = f'{prefix if prefix else ""}template_embedder.{template_match.group(4)}'
converted_state_dict[new_key] = value
......
openfold/utils/multi_chain_permutation.py
View file @ 3bec3e9b
import logging
import random
import torch
from typing import Tuple, List, Dict
from openfold.np import residue_constants as rc
logger = logging.getLogger(__name__)
......@@ -13,6 +13,17 @@ def compute_rmsd(
atom_mask: torch.Tensor = None,
eps: float = 1e-6,
) -> torch.Tensor:
"""
Function to calculate RMSD between predicted and ground truth atom position
Args:
true_atom_pos: a [nres*3] tensor
pred_atom_pos: a [nres*3] tensor
atom_mask: a [1*nres] tensor
Return:
RMSD value between true and predicted atom positions
"""
sq_diff = torch.square(true_atom_pos - pred_atom_pos).sum(dim=-1, keepdim=False)
if atom_mask is not None:
sq_diff = torch.masked_select(sq_diff, atom_mask.to(sq_diff.device))
......@@ -21,7 +32,7 @@ def compute_rmsd(
return torch.sqrt(msd + eps) # prevent sqrt 0
def kabsch_rotation(P, Q):
def kabsch_rotation(P: torch.Tensor, Q: torch.Tensor) -> torch.Tensor:
"""
Calculate the best rotation that minimises the RMSD between P and Q.
......@@ -29,11 +40,11 @@ def kabsch_rotation(P, Q):
https://en.wikipedia.org/wiki/Kabsch_algorithm
Args:
P: [N * 3] Nres is the number of atoms and each row corresponds to the atom's x,y,z coordinates
Q: [N * 3] the same dimension as P
P: [N * 3] Nres is the number of atoms and each row corresponds to the atom's x,y,z coordinates
Q: [N * 3] the same dimension as P
return:
A 3*3 rotation matrix
one 3*3 rotation matrix that best aligns the sorce and target atoms
"""
assert P.shape == torch.Size([Q.shape[0], Q.shape[1]])
......@@ -54,11 +65,20 @@ def get_optimal_transform(
src_atoms: torch.Tensor,
tgt_atoms: torch.Tensor,
mask: torch.Tensor = None,
):
) -> Tuple[torch.Tensor, torch.Tensor]:
"""
src_atoms: predicted CA positions, shape:[num_res,3]
tgt_atoms: ground-truth CA positions, shape:[num_res,3]
mask: a vector of boolean values, shape:[num_res]
A function that obtain the transformation that optimally align
src_atoms with tgt_atoms
Args:
src_atoms: predicted CA positions, shape:[num_res,3]
tgt_atoms: ground-truth CA positions, shape:[num_res,3]
mask: a vector of boolean values, shape:[num_res]
Returns:
a rotation matrix that record the optimal rotation
that will best align selected anchor prediction to selected anchor truth
a matrix records how the atoms should be shifted after applying r i.e. optimal alignment requires 1) rotate 2) shift the positions
"""
assert src_atoms.shape == tgt_atoms.shape, (src_atoms.shape, tgt_atoms.shape)
assert src_atoms.shape[-1] == 3
......@@ -88,7 +108,7 @@ def get_optimal_transform(
return r, x
def get_least_asym_entity_or_longest_length(batch, input_asym_id):
def get_least_asym_entity_or_longest_length(batch: dict, input_asym_id: list) -> Tuple[torch.Tensor, List[torch.Tensor]]:
"""
First check how many subunit(s) one sequence has. Select the subunit that is less
common, e.g. if the protein was AABBB then select one of the A as anchor
......@@ -97,15 +117,15 @@ def get_least_asym_entity_or_longest_length(batch, input_asym_id):
then choose one of the corresponding subunits as anchor
Args:
batch: in this function batch is the full ground truth features
input_asym_id: A list of asym_ids that are in the cropped input features
batch: in this function batch is the full ground truth features
input_asym_id: A list of asym_ids that are in the cropped input features
Return:
anchor_gt_asym_id: Tensor(int) selected ground truth asym_id
anchor_pred_asym_ids: list(Tensor(int)) a list of all possible pred anchor candidates
anchor_gt_asym_id: Tensor(int) selected ground truth asym_id
anchor_pred_asym_ids: list(Tensor(int)) a list of all possible pred anchor candidates
"""
entity_2_asym_list = get_entity_2_asym_list(batch)
unique_entity_ids = torch.unique(batch["entity_id"])
unique_entity_ids = [i for i in torch.unique(batch["entity_id"]) if i !=0]# if entity_id is 0, that means this entity_id comes from padding
entity_asym_count = {}
entity_length = {}
......@@ -145,19 +165,38 @@ def get_least_asym_entity_or_longest_length(batch, input_asym_id):
def greedy_align(
batch,
per_asym_residue_index,
entity_2_asym_list,
pred_ca_pos,
pred_ca_mask,
true_ca_poses,
true_ca_masks,
):
batch: dict,
per_asym_residue_index: dict,
entity_2_asym_list: dict,
pred_ca_pos: torch.Tensor,
pred_ca_mask: torch.Tensor,
true_ca_poses: list,
true_ca_masks: list
) -> List[Tuple[int, int]]:
"""
Implement Algorithm 4 in the Supplementary Information of AlphaFold-Multimer paper:
Evans,R et al., 2022 Protein complex prediction with AlphaFold-Multimer, bioRxiv 2021.10.04.463034; doi: https://doi.org/10.1101/2021.10.04.463034
Args:
batch: a dictionary of ground truth features
per_asym_residue_index: a dictionary recording which residues belong to which aysm_id
entity_2_asym_list: a dictionary recording which asym_id(s) belong to which entity_id
pred_ca_pos: predicted positions of c-alpha atoms from the results of model.forward()
pred_ca_mask: a boolean tensor that masks pred_ca_pos
true_ca_poses: a list of tensors, corresponding to the c-alpha positions of the ground truth structure. e.g. If there are 5 chains, this list will have a length of 5
true_ca_masks: a list of tensors, corresponding to the masks of c-alpha positions of the ground truth structure. If there are 5 chains, this list will have a length of 5
Return:
A list of tuple(int,int) that provides instructions of how the ground truth chains should be permuated
e.g. if 3 chains in the imput model have the same sequences, an example return would be:
[(0,2),(1,1),(2,0)], meaning the 1st chain in the predicted structure should be aligned to the 3rd chain in the ground truth,
and the 2nd chain in the predicted structure is ok to stay with the 2nd chain in the ground truth.
Note: the tuples in the returned list begin with 0 indexing but aym_id begins with 1. The reason why tuples in the return are 0-indexing
is that at the stage of loss calculation, the ground truth atom positions: true_ca_poses, are already split up into a list of matrices.
Hence, now this function needs to return tuples that provide the index to select from the list: true_ca_poses, and list index starts from 0.
"""
used = [False for _ in range(len(true_ca_poses))]
used = [False for _ in range(len(true_ca_poses))] # a list the keeps recording whether a ground truth chain has been used or not
align = []
unique_asym_ids = [i for i in torch.unique(batch["asym_id"]) if i != 0]
for cur_asym_id in unique_asym_ids:
......@@ -189,21 +228,38 @@ def greedy_align(
return align
def pad_features(feature_tensor, nres_pad, pad_dim):
"""Pad input feature tensor"""
def pad_features(feature_tensor: torch.Tensor, nres_pad: int, pad_dim: int) -> torch.Tensor:
"""
Pad input feature tensor. Padding values will be 0 and put behind the true feature values
Args:
feature_tensor: A feature tensor
nres_pad: number of residues to add
pad_dim: along which dimension of the feature_tensor to pad
Returns:
a padded feature tensor
"""
pad_shape = list(feature_tensor.shape)
pad_shape[pad_dim] = nres_pad
padding_tensor = feature_tensor.new_zeros(pad_shape, device=feature_tensor.device)
return torch.concat((feature_tensor, padding_tensor), dim=pad_dim)
def merge_labels(per_asym_residue_index, labels, align, original_nres):
def merge_labels(per_asym_residue_index: Dict[int,List[int]],
labels: List[Dict], align: List[Tuple[int, int]],
original_nres: int) -> Dict[str, torch.Tensor]:
"""
Merge ground truth labels according to the permutation results
labels: list of original ground truth feats
align: list of tuples, each entry specify the corresponding label of the asym.
Args:
per_asym_residue_index: a dictionary recording which residues belong to which aysm_id
labels: list of original ground truth feats e.g. if there're 5 chains, labels will have a length of 5
align: list of tuples, each entry specify the corresponding label of the asym.
original_nres: int, corresponding to the number of residues specified by crop_size in config.py
Returns:
A new dictionary of permuated ground truth features
modified based on UniFold:
https://github.com/dptech-corp/Uni-Fold/blob/b1c89a2cebd4e4ee4c47b4e443f92beeb9138fbb/unifold/losses/chain_align.py#L176C1-L176C1
"""
......@@ -230,13 +286,20 @@ def merge_labels(per_asym_residue_index, labels, align, original_nres):
return outs
def split_ground_truth_labels(gt_features):
def split_ground_truth_labels(gt_features: dict) -> List[Dict]:
"""
Splits ground truth features according to chains
Args:
gt_features: A dictionary within a the PyTorch DataSet iteration, which returns by the upstream DataLoader.iter() method
In the DataLoader pipeline, all tensors belonging to all the ground truth changes are concatenated so it stays the same as monomer data input format/pipeline,
thus, this function is needed to 1) detect the number of chains i.e. unique(asym_id)
2) split the concatenated tensors back to individual ones that correspond to individual asym_ids
Returns:
a list of feature dictionaries with only necessary ground truth features
required to finish multi-chain permutation
a list of feature dictionaries with only necessary ground truth features
required to finish multi-chain permutation, e.g. it will be a list of 5 elements if there
are 5 chains in total.
"""
unique_asym_ids, asym_id_counts = torch.unique(gt_features["asym_id"], sorted=True, return_counts=True)
n_res = gt_features["asym_id"].shape[-1]
......@@ -251,7 +314,16 @@ def split_ground_truth_labels(gt_features):
return labels
def get_per_asym_residue_index(features):
def get_per_asym_residue_index(features: dict) -> Dict[int, torch.Tensor]:
"""
A function that retrieve which residues belong to which asym_id
Args:
features: a dictionary that contains input features after cropping
Returns:
A dictionary that records which region of the sequence belongs to which asym_id
"""
unique_asym_ids = [i for i in torch.unique(features["asym_id"]) if i != 0]
per_asym_residue_index = {}
for cur_asym_id in unique_asym_ids:
......@@ -261,34 +333,36 @@ def get_per_asym_residue_index(features):
return per_asym_residue_index
def get_entity_2_asym_list(batch):
def get_entity_2_asym_list(features: dict) -> Dict[int, list]:
"""
Generates a dictionary mapping unique entity IDs to lists of unique asymmetry IDs (asym_id) for each entity.
Args:
batch (dict): A dictionary containing data batches, including "entity_id" and "asym_id" tensors.
features (dict): A dictionary containing data features, including "entity_id" and "asym_id" tensors.
Returns:
entity_2_asym_list (dict): A dictionary where keys are unique entity IDs, and values are lists of unique asymmetry IDs
associated with each entity.
"""
entity_2_asym_list = {}
unique_entity_ids = torch.unique(batch["entity_id"])
unique_entity_ids = torch.unique(features["entity_id"])
for cur_ent_id in unique_entity_ids:
ent_mask = batch["entity_id"] == cur_ent_id
cur_asym_id = torch.unique(batch["asym_id"][ent_mask])
ent_mask = features["entity_id"] == cur_ent_id
cur_asym_id = torch.unique(features["asym_id"][ent_mask])
entity_2_asym_list[int(cur_ent_id)] = cur_asym_id
return entity_2_asym_list
def calculate_input_mask(true_ca_masks, anchor_gt_idx, anchor_gt_residue,
asym_mask, pred_ca_mask):
def calculate_input_mask(true_ca_masks: List[torch.Tensor], anchor_gt_idx: torch.Tensor,
anchor_gt_residue: torch.Tensor,
asym_mask: torch.Tensor, pred_ca_mask: torch.Tensor) -> torch.Tensor:
"""
Calculate an input mask for downstream optimal transformation computation
Args:
true_ca_masks (Tensor): ca mask from ground truth.
anchor_gt_idx (Tensor): The index of selected ground truth anchor.
true_ca_masks: list of masks from ground truth chains.
anchor_gt_idx (Tensor): a tensor with one integer in it. The index of selected ground truth anchor.
anchor_gt_residue:a 1D vector tensor of residue indexes that belongs to the selected ground truth anchor
asym_mask (Tensor): Boolean tensor indicating which regions are selected predicted anchor.
pred_ca_mask (Tensor): ca mask from predicted structure.
......@@ -303,11 +377,38 @@ def calculate_input_mask(true_ca_masks, anchor_gt_idx, anchor_gt_residue,
return input_mask
def calculate_optimal_transform(true_ca_poses,
anchor_gt_idx, anchor_gt_residue,
true_ca_masks, pred_ca_mask,
asym_mask,
pred_ca_pos):
def calculate_optimal_transform(true_ca_poses: List[torch.Tensor],
anchor_gt_idx: int, anchor_gt_residue: torch.Tensor,
true_ca_masks: List[torch.Tensor], pred_ca_mask: torch.Tensor,
asym_mask: torch.Tensor,
pred_ca_pos: torch.Tensor) -> Tuple[torch.Tensor, torch.Tensor]:
"""
Takes selected anchor ground truth c-alpha positions and
selected predicted anchor c-alpha position then calculate the optimal rotation matrix
to align ground-truth anchor and predicted anchor
Args:
true_ca_poses: a list of tensors, corresponding to the c-alpha positions of the ground truth structure. e.g. If there are 5 chains, this list will have a length of 5
anchor_gt_idx (Tensor): a tensor with one integer in it. The index of selected ground truth anchor.
anchor_gt_residue:a 1D vector tensor of residue indexes that belongs to the selected ground truth anchor
true_ca_masks: list of masks from ground truth chains e.g. it will be length=5 if there are 5 chains in ground truth structure
pred_ca_mask: A boolean tensor corresponds to the mask to mask the predicted features
asym_mask: A boolean tensor that mask out other elements in a tensor if they do not belong to a this asym_id
pred_ca_pos: a [nres*3] tensor of predicted c-alpha atom positions
Process:
1) select an achor chain from ground truth, denoted by anchor_gt_idx, and
an chor chain from the predicted structure. Both anchor_gt and anchor_pred have exactly the same sequence
2) obtain the C-alpha positions corresponding to the selected anchor_gt, done be slicing the true_ca_pose according to anchor_gt_residue
3) calculate the optimal transformation that can best align the C-alpha atoms of anchor_pred to those of anchor_gt,
done by Kabsch algorithm: source https://en.wikipedia.org/wiki/Kabsch_algorithm
Returns:
a rotation matrix that record the optimal rotation
that will best align selected anchor prediction to selected anchor truth
a matrix records how the atoms should be shifted after applying r i.e. optimal alignment requires 1) rotate 2) shift the positions
"""
input_mask = calculate_input_mask(true_ca_masks,
anchor_gt_idx,
anchor_gt_residue,
......@@ -326,13 +427,27 @@ def calculate_optimal_transform(true_ca_poses,
return r, x
def compute_permutation_alignment(out, features, ground_truth):
def compute_permutation_alignment(out: Dict[str,torch.Tensor],
features: Dict[str,torch.Tensor],
ground_truth: List[Dict[str, torch.Tensor]]) -> Tuple[List[Tuple[int, int]], Dict[int, List[int]]]:
"""
A class method that first permutate chains in ground truth first
before calculating the loss.
A method that permutes chains in ground truth before calculating the loss
because the mapping between the predicted and ground-truth will become arbitrary.
The model cannot be assumed to predict chains in the same order as the ground truth.
Thus, this function pick the optimal permutaion of predicted chains that best matches the ground truth,
by minimising the RMSD i.e. the best permutation of ground truth chains is selected based on which permutation has the lowest RMSD calculation
Details are described in Section 7.3 in the Supplementary of AlphaFold-Multimer paper:
https://www.biorxiv.org/content/10.1101/2021.10.04.463034v2
Args:
out: a dictionary of output tensors from model.forward()
features: a dictionary of feature tensors that are used as input for model.forward()
ground_truth: a list of dictionaries of features corresponding to chains in ground truth structure e.g. it will be a length of 5 if there are 5 chains in ground truth structure
Returns:
a list of tuple(int,int) that instructs how ground truth chains should be permutated
a dictionary recording which residues belong to which aysm_id
"""
unique_asym_ids = set(torch.unique(features['asym_id']).tolist())
unique_asym_ids.discard(0) # Remove padding asym_id
......@@ -397,13 +512,19 @@ def compute_permutation_alignment(out, features, ground_truth):
return best_align, per_asym_residue_index
def multi_chain_permutation_align(out, features, ground_truth):
"""Compute multi-chain permutation alignment.
def multi_chain_permutation_align(out: Dict[str, torch.Tensor],
features: Dict[str, torch.Tensor],
ground_truth: List[Dict[str, torch.Tensor]]) -> Dict[str, torch.Tensor]:
"""
Compute multi-chain permutation alignment.
Args:
out: The output of model.forward()
features: Input features
ground_truth: Ground truth features
out: a dictionary of output tensors from model.forward()
features: a dictionary of feature tensors that are used as input for model.forward()
ground_truth: a list of dictionaries of features corresponding to chains in ground truth structure e.g. it will be a length of 5 if there are 5 chains in ground truth structure
Returns:
features: a dictionary with updated ground truth feature tensors, ready for downstream loss calculations.
"""
labels = split_ground_truth_labels(ground_truth)
......
openfold/utils/seed.py deleted 100644 → 0
View file @ 49ab0539
import os
import logging
import random
import numpy as np
from pytorch_lightning import seed_everything
from openfold.utils.suppress_output import SuppressLogging
def seed_globally(seed=None):
if("PL_GLOBAL_SEED" not in os.environ):
if(seed is None):
seed = random.randint(0, np.iinfo(np.uint32).max)
os.environ["PL_GLOBAL_SEED"] = str(seed)
logging.info(f'os.environ["PL_GLOBAL_SEED"] set to {seed}')
# seed_everything is a bit log-happy
with SuppressLogging(logging.INFO):
seed_everything(seed=None)
openfold/utils/superimposition.py
View file @ 3bec3e9b
......@@ -35,10 +35,10 @@ def _superimpose_np(reference, coords):
def _superimpose_single(reference, coords):
reference_np = reference.detach().cpu().numpy()
coords_np = coords.detach().cpu().numpy()
superimposed, rmsd = _superimpose_np(reference_np, coords_np)
return coords.new_tensor(superimposed), coords.new_tensor(rmsd)
reference_np = reference.detach().to(torch.float).cpu().numpy()
coords_np = coords.detach().to(torch.float).cpu().numpy()
superimposed, rmsd = _superimpose_np(reference_np, coords_np)
return coords.new_tensor(superimposed), coords.new_tensor(rmsd)
def superimpose(reference, coords, mask):
......
openfold/utils/suppress_output.py deleted 100644 → 0
View file @ 49ab0539
import logging
import sys
class SuppressStdout:
def __enter__(self):
self.stdout = sys.stdout
dev_null = open("/dev/null", "w")
sys.stdout = dev_null
def __exit__(self, typ, value, traceback):
fp = sys.stdout
sys.stdout = self.stdout
fp.close()
class SuppressLogging:
def __init__(self, level):
self.level = level
def __enter__(self):
logging.disable(self.level)
def __exit__(self, typ, value, traceback):
logging.disable(logging.NOTSET)
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