Atomic-level evolutionary information improves protein-protein interface scoring.
Bioinformatics
; 37(19): 3175-3181, 2021 Oct 11.
Article
em En
| MEDLINE
| ID: mdl-33901284
ABSTRACT
MOTIVATION The crucial role of protein interactions and the difficulty in characterizing them experimentally strongly motivates the development of computational approaches for structural prediction. Even when protein-protein docking samples correct models, current scoring functions struggle to discriminate them from incorrect decoys. The previous incorporation of conservation and coevolution information has shown promise for improving protein-protein scoring. Here, we present a novel strategy to integrate atomic-level evolutionary information into different types of scoring functions to improve their docking discrimination. RESULTS:
We applied this general strategy to our residue-level statistical potential from InterEvScore and to two atomic-level scores, SOAP-PP and Rosetta interface score (ISC). Including evolutionary information from as few as 10 homologous sequences improves the top 10 success rates of individual atomic-level scores SOAP-PP and Rosetta ISC by 6 and 13.5 percentage points, respectively, on a large benchmark of 752 docking cases. The best individual homology-enriched score reaches a top 10 success rate of 34.4%. A consensus approach based on the complementarity between different homology-enriched scores further increases the top 10 success rate to 40%. AVAILABILITY AND IMPLEMENTATION All data used for benchmarking and scoring results, as well as a Singularity container of the pipeline, are available at http//biodev.cea.fr/interevol/interevdata/. SUPPLEMENTARY INFORMATION Supplementary data are available at Bioinformatics online.
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Base de dados:
MEDLINE
Tipo de estudo:
Prognostic_studies
Idioma:
En
Ano de publicação:
2021
Tipo de documento:
Article