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Genomics-aided structure prediction.

TitleGenomics-aided structure prediction.
Publication TypeJournal Article
Year of Publication2012
AuthorsSułkowska, JI, Morcos, F, Weigt, M, Hwa, T, Onuchic, JN
JournalProc Natl Acad Sci U S A
Volume109
Issue26
Pagination10340-5
Date Published2012 Jun 26
ISSN1091-6490
KeywordsAmino Acid Sequence, Genomics, Molecular Dynamics Simulation, Molecular Sequence Data, Proteins, Sequence Homology, Amino Acid
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.

DOI10.1073/pnas.1207864109
Alternate JournalProc. Natl. Acad. Sci. U.S.A.
PubMed ID22691493
PubMed Central IDPMC3387073