ResQ: An Approach to Unified Estimation of B-Factor and Residue-Specific Error in Protein Structure Prediction.

ABSTRACT: Computer-based structure prediction becomes a major tool to provide large-scale structure models for annotating biological function of proteins. Information of residue-level accuracy and thermal mobility (or B-factor), which is critical to decide how biologists utilize the predicted models, is however missed in most structure prediction pipelines. We developed ResQ for unified residue-level model quality and B-factor estimations by combining local structure assembly variations with sequence-based and structure-based profiling. ResQ was tested on 635 non-redundant proteins with structure models generated by I-TASSER, where the average difference between estimated and observed distance errors is 1.4Å for the confidently modeled proteins. ResQ was further tested on structure decoys from CASP9

SUBMITTER: Yang J 

PROVIDER: S-EPMC4783266 | biostudies-literature | 2016 Feb

REPOSITORIES: biostudies-literature