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Data and most relevant results for the FoldDock project

Version 2 2022-03-17, 12:30

Version 1 2021-10-26, 13:09

dataset

posted on 2022-03-17, 12:30 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;

- msas for pair of sequences, required to run AlphaFold2

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.