<div>Data and main results for the study <b>"Improved prediction of protein-protein interactions using AlphaFold2 and extended multiple-sequence alignments."</b></div><div><b></b><br></div><div>Contained datasets consist of:</div><div><b>1 -</b> 219 heterodimers from dockground benchmark 4 dataset </div><div><b>2 -</b> 1503 heterodimeric structures from a recent study (<cite>Green, A. G. et al. Nat. Commun. 12, 1–12 (2021)</cite>)</div><div><b>3 -</b> 7 heterodimeric complexes from CASP14</div><div><b>4 -</b> 8 novel heterodimeric complexes deposited in the PDB database after 15 June 2021</div><div><br></div><div>For each one of the mentioned datasets it can be found in this repository:</div><div>- concatenated protein sequences in FASTA format;</div><div>- 3D structure atomic coordinates in PDB format;<br></div><div>- csv files summarizing chain IDs, chain lengths and other dataset parameters;</div><div>- msas for pair of sequences, required to run AlphaFold2<br></div><div><br></div><div>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.<br></div>
Funding
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