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Direct correlation analysis improves fold recognition.


ABSTRACT: The extraction of correlated mutations through the method of direct information (DI) provides predicted contact residue pairs that can be used to constrain the three dimensional structures of proteins. We apply this method to a large set of decoy protein folds consisting of many thousand well-constructed models, only tens of which have the correct fold. We find that DI is able to greatly improve the ranking of the true (native) fold but others still remain high scoring that would be difficult to discard due to small shifts in the core beta sheets.

SUBMITTER: Sadowski MI 

PROVIDER: S-EPMC3267019 | biostudies-literature | 2011 Oct

REPOSITORIES: biostudies-literature

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Direct correlation analysis improves fold recognition.

Sadowski Michael I MI   Maksimiak Katarzyna K   Taylor William R WR  

Computational biology and chemistry 20110822 5


The extraction of correlated mutations through the method of direct information (DI) provides predicted contact residue pairs that can be used to constrain the three dimensional structures of proteins. We apply this method to a large set of decoy protein folds consisting of many thousand well-constructed models, only tens of which have the correct fold. We find that DI is able to greatly improve the ranking of the true (native) fold but others still remain high scoring that would be difficult to  ...[more]

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