Deep Transfer Learning for alignment-free prediction of protein structure annotations
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The docker container is available at https://hub.docker.com/r/mircare/microbrewery (HOWTO).
See https://github.com/mircare/Brewery for profile-based prediction of protein structure annotations.
$ git clone https://github.com/mircare/Microbrewery/ --depth 1 && rm -rf Microbrewery/.git
$ python3 Microbrewery/Microbrewery.py -i Microbrewery/example/2FLGA.fasta --cpu 4
# To split a FASTA file containing multiple sequences
$ python3 Microbrewery/split_fasta.py many_sequences.fasta
# To predict all the fasta files in a given directory, e.g. DIRNAME
$ python3 Microbrewery/multiple_fasta.py -i DIRNAME/ --cpu 4 --fast
$ python3 Microbrewery/Microbrewery.py --help
usage: Microbrewery.py [-h] [-input fasta_file] [--noSS] [--noTA] [--noSA]
[--noCD] [--setup]
This is the standalone of Microbrewery. Run it on a FASTA file to predict its
Secondary Structure in 3- and 8-classes (Porter5), Solvent Accessibility in 4
classes (PaleAle5), Structural Motifs in 14 classes (Porter+5) and Contact
Density in 4 classes (BrownAle5).
optional arguments:
-h, --help show this help message and exit
-input fasta_file FASTA file containing the protein to predict
--noSS Skip Secondary Structure prediction
--noTA Skip Structural Motifs prediction
--noSA Skip Solvent Accessibility prediction
--noCD Skip Contact Density prediction
--setup Initialize Microbrewery from scratch (e.g., required when
it is moved).
E.g., python3 Microbrewery.py -i example/2FLGA.fasta
# Set the absolute PATHs to the query sequences
$ docker run --name microbrewery -v /**PATH_to_fasta_to_predict**:/Microbrewery/query \
--cap-add IPC_LOCK mircare/microbrewery sleep infinity &
# Run Microbrewery
$ docker exec microbrewery python3 Microbrewery.py -i query/2FLGA.fasta
| Method | SS3 | SS8 | TA14 | CD4 |
|---|---|---|---|---|
| Microbrewery | 72.6% | 59.2% | 54.8% | 36.8% |
| SPIDER3-single | 71.4% | 57.6% | 50.9% | 32.5% |
If you use Microbrewery, please cite our Bioinformatics paper:
@article{torrisi_brewery_2020,
title = {Brewery: Deep Learning and deeper profiles for the prediction of 1D protein structure annotations},
doi = {10.1093/bioinformatics/btaa204},
journal = {Bioinformatics},
author = {Torrisi, Mirko and Pollastri, Gianluca}
}
Brewery: Deep Learning and deeper profiles for the prediction of 1D protein structure annotations,
Bioinformatics, Oxford University Press; Mirko Torrisi and Gianluca Pollastri;
Guest link: https://academic.oup.com/bioinformatics/advance-article/doi/10.1093/bioinformatics/btaa204/5811232?guestAccessKey=9a73ae2a-2cb6-4fe1-b333-a4f3261f02cf.
Protein Structure Annotations; Essentials of Bioinformatics, Volume I. Springer Nature
Mirko Torrisi and Gianluca Pollastri; Post-print: https://www.researchgate.net/publication/332048741_Protein_Structure_Annotations.
Deeper Profiles and Cascaded Recurrent and Convolutional Neural Networks for state-of-the-art Protein Secondary Structure Prediction, Scientific Reports, Nature Publishing Group; Mirko Torrisi, Manaz Kaleel and Gianluca Pollastri;
doi: https://doi.org/10.1038/s41598-019-48786-x.
PaleAle 5.0: prediction of protein relative solvent accessibility by deep learning, Amino Acids, Springer
Manaz Kaleel, Mirko Torrisi, Catherine Mooney and Gianluca Pollastri; Guest Link: https://rdcu.be/bNlXS.
This work is licensed under a Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International License.
Email us at gianluca[dot]pollastri[at]ucd[dot]ie if you wish to use it for purposes not permitted by the CC BY-NC-SA 4.0.
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docker pull mircare/microbrewery