StructureDistiller: Structural relevance scoring identifies the most informative entries of a contact map.

ABSTRACT: Protein folding and structure prediction are two sides of the same coin. Contact maps and the related techniques of constraint-based structure reconstruction can be considered as unifying aspects of both processes. We present the Structural Relevance (SR) score which quantifies the information content of individual contacts and residues in the context of the whole native structure. The physical process of protein folding is commonly characterized with spatial and temporal resolution: some residues are Early Folding while others are Highly Stable with respect to unfolding events. We employ the proposed SR score to demonstrate that folding initiation and structure stabilization are subprocesses realized by distinct sets of residues. The example of cytochrome c is used to demonstrate how Stru

SUBMITTER: Bittrich S 

PROVIDER: S-EPMC6898053 | biostudies-literature | 2019 Dec

REPOSITORIES: biostudies-literature