Protein interface classification by evolutionary analysis.

ABSTRACT:

Background

Distinguishing biologically relevant interfaces from lattice contacts in protein crystals is a fundamental problem in structural biology. Despite efforts towards the computational prediction of interface character, many issues are still unresolved.

Results

We present here a protein-protein interface classifier that relies on evolutionary data to detect the biological character of interfaces. The classifier uses a simple geometric measure, number of core residues, and two evolutionary indicators based on the sequence entropy of homolog sequences. Both aim at detecting differential selection pressure between interface core and rim or rest of surface. The core residues, defined as fully buried residues (>95% burial), appear to be fundamental determinants of biologica

SUBMITTER: Duarte JM 

PROVIDER: S-EPMC3556496 | biostudies-literature | 2012 Dec

REPOSITORIES: biostudies-literature