Clustering and percolation in protein loop structures.

ABSTRACT:

Background

High precision protein loop modelling remains a challenge, both in template based and template independent approaches to protein structure prediction.

Method

We introduce the concepts of protein loop clustering and percolation, to develop a quantitative approach to systematically classify the modular building blocks of loops in crystallographic folded proteins. These fragments are all different parameterisations of a unique kink solution to a generalised discrete nonlinear Schrödinger (DNLS) equation. Accordingly, the fragments are also local energy minima of the ensuing energy function.

Results

We show how the loop fragments cover practically all ultrahigh resolution crystallographic protein structures in Protein Data Bank (PDB), with a 0.2 Ångström root-m

SUBMITTER: Peng X 

PROVIDER: S-EPMC4625449 | biostudies-literature | 2015 Oct

REPOSITORIES: biostudies-literature