Work overview

Section 14 of 17

Data Availability

Highly Accurate Protein Structure Prediction with AlphaFold

John Jumper, Richard Evans, Alexander Pritzel, Tim Green, Michael Figurnov, Olaf Ronneberger, Kathryn Tunyasuvunakool, Russ Bates, Augustin Žídek, Anna Potapenko, Alex Bridgland, Clemens Meyer, Simon A. A. Kohl, Andrew J. Ballard, Andrew Cowie, Bernardino Romera-Paredes, Stanislav Nikolov, Rishub Jain, Jonas Adler, Trevor Back, Stig Petersen, David Reiman, Ellen Clancy, Michal Zielinski, Martin Steinegger, Michalina Pacholska, Tamas Berghammer, Sebastian Bodenstein, David Silver, Oriol Vinyals, Andrew W. Senior, Koray Kavukcuoglu, Pushmeet Kohli, and Demis Hassabis · 2021

Contents

Section 14 of 17

  1. 01Abstract
  2. 02Main Results
  3. 03AlphaFold Network
  4. 04Evoformer
  5. 05End-to-End Structure Prediction
  6. 06Training with Labelled and Unlabelled Data
  7. 07Interpreting the Network
  8. 08MSA Depth
  9. 09Related Work
  10. 10Discussion
  11. 11Methods
  12. 12Acknowledgements
  13. 13Author Contributions
  14. 14Data Availability
  15. 15Code Availability
  16. 16Competing Interests
  17. 17References
Text size
Work overview

Section 14 of 17

Data Availability

John Jumper, Richard Evans, Alexander Pritzel, Tim Green, Michael Figurnov, Olaf Ronneberger, Kathryn Tunyasuvunakool, Russ Bates, Augustin Žídek, Anna Potapenko, Alex Bridgland, Clemens Meyer, Simon A. A. Kohl, Andrew J. Ballard, Andrew Cowie, Bernardino Romera-Paredes, Stanislav Nikolov, Rishub Jain, Jonas Adler, Trevor Back, Stig Petersen, David Reiman, Ellen Clancy, Michal Zielinski, Martin Steinegger, Michalina Pacholska, Tamas Berghammer, Sebastian Bodenstein, David Silver, Oriol Vinyals, Andrew W. Senior, Koray Kavukcuoglu, Pushmeet Kohli, and Demis Hassabis · about 1 minutes

Original source ↗

Data availability

All input data are freely available from public sources.

Structures from the PDB were used for training and as templates (https://www.wwpdb.org/ftp/pdb-ftp-sites; for the associated sequence data and 40% sequence clustering see also https://ftp.wwpdb.org/pub/pdb/derived_data/ and https://cdn.rcsb.org/resources/sequence/clusters/bc-40.out). Training used a version of the PDB downloaded 28 August 2019, while the CASP14 template search used a version downloaded 14 May 2020. The template search also used the PDB70 database, downloaded 13 May 2020 (https://wwwuser.gwdg.de/~compbiol/data/hhsuite/databases/hhsuite_dbs/).

We show experimental structures from the PDB with accession numbers 6Y4F77, 6YJ178, 6VR479, 6SK080, 6FES81, 6W6W82, 6T1Z83 and 7JTL84.

For MSA lookup at both the training and prediction time, we used UniRef90 v.2020_01 (https://ftp.ebi.ac.uk/pub/databases/uniprot/previous_releases/release-2020_01/uniref/), BFD (https://bfd.mmseqs.com), Uniclust30 v.2018_08 (https://wwwuser.gwdg.de/~compbiol/uniclust/2018_08/) and MGnify clusters v.2018_12 (https://ftp.ebi.ac.uk/pub/databases/metagenomics/peptide_database/2018_12/). Uniclust30 v.2018_08 was also used as input for constructing a distillation structure dataset.