Integrating co-evolutionary signals and other properties of residue pairs to distinguish biological interfaces from crystal contacts.

ABSTRACT: It remains challenging to accurately discriminate between biological and crystal interfaces. Most existing analyses and algorithms focused on the features derived from a single side of the interface. However, less attention has been paid to the properties of residue pairs across protein interfaces. To address this problem, we defined a novel co-evolutionary feature for homodimers through integrating direct coupling analysis and image processing techniques. The residue pairs across biological homodimeric interfaces were significantly enriched in co-evolving residues compared to those across crystal contacts, resulting in a promising classification accuracy with area under the curves (AUCs) of >0.85. Considering the availability of co-evolutionary feature, we also designed other residue pair

SUBMITTER: Hu J 

PROVIDER: S-EPMC6194302 | biostudies-literature | 2018 Sep

REPOSITORIES: biostudies-literature