PackHelix: a tool for helix-sheet packing during protein structure prediction.

ABSTRACT: The three-dimensional structure of a protein is organized around the packing of its secondary structure elements. Predicting the topology and constructing the geometry of structural motifs involving α-helices and/or β-strands are therefore key steps for accurate prediction of protein structure. While many efforts have focused on how to pack helices and on how to sample exhaustively the topologies and geometries of multiple strands forming a β-sheet in a protein, there has been little progress on generating native-like packings of helices on sheets. We describe a method that can generate the packing of multiple helices on a given β-sheet for αβα sandwich type protein folds. This method mines the results of a statistical analysis of the conformations of αβ(2) motifs in protein structures to

SUBMITTER: Hu C 

PROVIDER: S-EPMC3172692 | biostudies-literature | 2011 Oct

REPOSITORIES: biostudies-literature