Genomics-aided structure prediction

Proc Natl Acad Sci U S A. 2012 Jun 26;109(26):10340-5. doi: 10.1073/pnas.1207864109. Epub 2012 Jun 12.

Abstract

We introduce a theoretical framework that exploits the ever-increasing genomic sequence information for protein structure prediction. Structure-based models are modified to incorporate constraints by a large number of non-local contacts estimated from direct coupling analysis (DCA) of co-evolving genomic sequences. A simple hybrid method, called DCA-fold, integrating DCA contacts with an accurate knowledge of local information (e.g., the local secondary structure) is sufficient to fold proteins in the range of 1-3 Å resolution.

Publication types

  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Amino Acid Sequence
  • Genomics*
  • Molecular Dynamics Simulation
  • Molecular Sequence Data
  • Proteins / chemistry*
  • Proteins / genetics
  • Sequence Homology, Amino Acid

Substances

  • Proteins