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Using scores derived from statistical coupling analysis to distinguish correct and incorrect folds in de-novo protein structure prediction

Authors

  • Gail J. Bartlett,

    Corresponding author
    1. Division of Mathematical Biology, National Institute of Medical Research, The Ridgeway, Mill Hill, London NW7 4BB, United Kingdom
    • Division of Mathematical Biology, National Institute of Medical Research, The Ridgeway, Mill Hill, London NW7 4BB, UK
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  • William R. Taylor

    1. Division of Mathematical Biology, National Institute of Medical Research, The Ridgeway, Mill Hill, London NW7 4BB, United Kingdom
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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. Proteins 2008. © 2007 Wiley-Liss, Inc.

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