Seq-InSite: sequence supersedes structure for protein interaction site prediction.

Autor:	Hosseini S; Department of Computer Science, University of Western Ontario, London, ON N6A 5B7, Canada., Golding GB; Department of Biology, McMaster University, Hamilton, ON L8S 4K1, Canada., Ilie L; Department of Computer Science, University of Western Ontario, London, ON N6A 5B7, Canada.
Jazyk:	angličtina
Zdroj:	Bioinformatics (Oxford, England) [Bioinformatics] 2024 Jan 02; Vol. 40 (1).
DOI:	10.1093/bioinformatics/btad738
Abstrakt:	Motivation: Proteins accomplish cellular functions by interacting with each other, which makes the prediction of interaction sites a fundamental problem. As experimental methods are expensive and time consuming, computational prediction of the interaction sites has been studied extensively. Structure-based programs are the most accurate, while the sequence-based ones are much more widely applicable, as the sequences available outnumber the structures by two orders of magnitude. Ideally, we would like a tool that has the quality of the former and the applicability of the latter. Results: We provide here the first solution that achieves these two goals. Our new sequence-based program, Seq-InSite, greatly surpasses the performance of sequence-based models, matching the quality of state-of-the-art structure-based predictors, thus effectively superseding the need for models requiring structure. The predictive power of Seq-InSite is illustrated using an analysis of evolutionary conservation for four protein sequences. Availability and Implementation: Seq-InSite is freely available as a web server at http://seq-insite.csd.uwo.ca/ and as free source code, including trained models and all datasets used for training and testing, at https://github.com/lucian-ilie/Seq-InSite. (© The Author(s) 2024. Published by Oxford University Press.)
Databáze:	MEDLINE
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