DCA-MOL: A PyMOL Plugin To Analyze Direct Evolutionary Couplings.

ABSTRACT

Direct coupling analysis (DCA) is a statistical modeling framework designed to uncover relevant molecular evolutionary relationships from biological sequences. Although DCA has been successfully used in several applications, mapping and visualizing of evolutionary couplings and direct information to a particular set of molecules requires multiple steps and could be prone to errors. DCA-MOL extends PyMOL functionality to allow users to interactively analyze and visualize coevolutionary residue-residue interactions between contact maps and structures. True positive rates for the top N pairs can be computed and visualized in real-time to evaluate the quality of residue-residue contact predictions. Different types of interactions in monomeric proteins, RNA, molecular interfaces, and protein conformational dynamics as well as multiple protein complexes can be studied efficiently within one application. DCA-MOL is available for download from http//dca-mol.cent.uw.edu.pl.