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FilterDCA: interpretable supervised contact prediction using inter-domain coevolution.

TitleFilterDCA: interpretable supervised contact prediction using inter-domain coevolution.
Publication TypeJournal Article
Year of Publication2020
AuthorsMuscat, M, Croce, G, Sarti, E, Weigt, M
JournalPLOS Computational Biology

The de novo prediction of tertiary and quaternary protein structures has recently seen important advances, by combining unsupervised, purely sequence-based coevolutionary analyses with structure-based supervision using deep learning for contact-map prediction. While showing impressive performance, deep-learning methods require large training sets and pose severe obstacles for their interpretability. Here we construct a simple, transparent and therefore fully interpretable inter-domain contact predictor, which uses the results of coevolutionary Direct Coupling Analysis in combination with explicitly constructed filters reflecting typical contact patterns in a training set of known protein structures, and which improves the accuracy of predicted contacts significantly. Our approach thereby sheds light on the question how contact information is encoded in coevolutionary signals