ABSTRACT
Information on the co-evolution of amino acid pairs in a protein can be used for endeavors such as protein engineering, mutation design, and structure prediction. Here we report a method that captures significant determinants of proteins using estimated co-evolution information to identify networks of residues, termed “residue communities”, relevant to protein function. By taking advantage of recent developments in high-performance and parallel computing, we constructed a web-server, Leri, that identifies relevant residue communities to allow researchers to investigate how a protein evolves and folds for function(s). All the data of the computational results including high-quality images can be downloaded and presented for publication. This web-server, written in C++, is sufficiently rapid to enable the studies on proteins of up to 400 amino acids.
Competing Interest Statement
Potential conflicts of interest. N.J.C. (Y. Z.) is a founder of Leri Ltd based in Oxford, UK. All other authors report no conflicts of interest relevant to this article.
Footnotes
↵* e-mail: yan.zhang{at}bioch.ox.ac.uk
https://kornmann.bioch.ox.ac.uk/leri/resources/applications.html