Sequence physical properties encode the global organization of protein structure space.

Abstract

It is demonstrated that, properly represented, the amino acid composition of protein sequences contains the information necessary to delineate the global properties of protein structure space. A numerical representation of amino acid sequence in terms of a set of property factors is used, and the values of those property factors are averaged over individual sequences and then over sets of sequences belonging to structurally defined groups. These sequence sets then can be viewed as points in a 10-dimensional space, and the organization of that space, determined only by sequence properties, is similar at both local and global scales to that of the space of protein structures determined previously.