Fatgraph Models of Proteins

Abstract

We introduce a new model of proteins, which extends and enhances the traditional graphical representation by associating a combinatorial object called a fatgraph to any protein based upon its intrinsic geometry. Fatgraphs can easily be stored and manipulated as triples of permutations, and these methods are therefore amenable to fast computer implementation. Applications include the refinement of structural protein classifications and the prediction of geometric and other properties of proteins from their chemical structures.