Forecasting residue-residue contact prediction accuracy.

ABSTRACT:

Motivation

Apart from meta-predictors, most of today's methods for residue-residue contact prediction are based entirely on Direct Coupling Analysis (DCA) of correlated mutations in multiple sequence alignments (MSAs). These methods are on average ∼40% correct for the 100 strongest predicted contacts in each protein. The end-user who works on a single protein of interest will not know if predictions are either much more or much less correct than 40%, which is especially a problem if contacts are predicted to steer experimental research on that protein.

Results

We designed a regression model that forecasts the accuracy of residue-residue contact prediction for individual proteins with an average error of 7 percentage points. Contacts were predicted with two DCA methods (gplmD

SUBMITTER: Wozniak PP 

PROVIDER: S-EPMC5860164 | biostudies-literature | 2017 Nov

REPOSITORIES: biostudies-literature