CONFOLD: Residue-residue contact-guided ab initio protein folding.

ABSTRACT: Predicted protein residue-residue contacts can be used to build three-dimensional models and consequently to predict protein folds from scratch. A considerable amount of effort is currently being spent to improve contact prediction accuracy, whereas few methods are available to construct protein tertiary structures from predicted contacts. Here, we present an ab initio protein folding method to build three-dimensional models using predicted contacts and secondary structures. Our method first translates contacts and secondary structures into distance, dihedral angle, and hydrogen bond restraints according to a set of new conversion rules, and then provides these restraints as input for a distance geometry algorithm to build tertiary structure models. The initially reconstructed models are u

SUBMITTER: Adhikari B 

PROVIDER: S-EPMC4509844 | biostudies-literature | 2015 Aug

REPOSITORIES: biostudies-literature