title: Using scores derived from statistical coupling analysis to distinguish correct and incorrect folds in de-novo protein structure prediction.
abstract: Distinguishing native from non-native folds remains a challenging problem for protein structure prediction. We describe a method, SCA-distance scoring, based on results from statistical coupling analysis which discriminates between native and non-native folds produced by a de novo protein structure prediction method for four out of five test proteins. The method is particularly good at discriminating non-native folds which are close in RMSD to the true fold but contain a change in an internal structural element. SCA-distance scoring is a useful addition to the tools available for distinguishing native from non-native folds in protein structure prediction.
authors.affiliation: Division of Mathematical Biology, National Institute of Medical Research, The Ridgeway, Mill Hill, London NW7 4BB, United Kingdom. gbartle@nimr.mrc.ac.uk
authors.forename: Gail J
authors.initials: GJ
authors.lastname: Bartlett
authors.forename: William R
authors.initials: WR
authors.lastname: Taylor
mesh_terms: D008432:Mathematical Computing; D008958:Models, Molecular; D017510:Protein Folding; D017433:Protein Structure, Secondary; D017434:Protein Structure, Tertiary; D011506:Proteins / Q000737:chemistry*; D016415:Sequence Alignment / Q000379:methods*; D013879:Thioredoxins / Q000737:chemistry
chemical_list: D011506:Proteins; D013879:Thioredoxins