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Genomics-aided structure prediction.


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.

SUBMITTER: Sulkowska JI 

PROVIDER: S-EPMC3387073 | biostudies-literature | 2012 Jun

REPOSITORIES: biostudies-literature

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Genomics-aided structure prediction.

Sułkowska Joanna I JI   Morcos Faruck F   Weigt Martin M   Hwa Terence T   Onuchic José N JN  

Proceedings of the National Academy of Sciences of the United States of America 20120612 26


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  ...[more]

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