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Data and most relevant results for the FoldDock project

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posted on 26.10.2021, 13:09 authored by Patrick BryantPatrick Bryant, Gabriele PozzatiGabriele Pozzati, Arne Elofsson
Data and main results for the study "Improved prediction of protein-protein interactions using AlphaFold2 and extended multiple-sequence alignments."

Contained datasets consist of:
1 - 219 heterodimers from dockground benchmark 4 dataset
2 - 1503 heterodimeric structures from a recent study (Green, A. G. et al. Nat. Commun. 12, 1–12 (2021))
3 - 7 heterodimeric complexes from CASP14
4 - 8 novel heterodimeric complexes deposited in the PDB database after 15 June 2021

For each one of the mentioned datasets it can be found in this repository:
- concatenated protein sequences in FASTA format;
- 3D structure atomic coordinates in PDB format;
- csv files summarizing chain IDs, chain lengths and other dataset parameters;

For dataset 1 and 2, AlphaFold2 output docking results for 5 identical runs are provided as well, together with a csv summarizing dockq scores and different model quality metrics.


Swedish E-science Research Center

Swedish National Infrastructure for Computing, grants: SNIC 2021/5-297, SNIC 2021/6-197 and Berzelius-2021-29

The Swedish National Medical Bioinformatics Graduate School

Swedish Research Council

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Stockholm University

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