Conformation families of protein fragments in multidimensional torsion-angle space

Acta Crystallogr D Biol Crystallogr. 2007 Nov;63(Pt 11):1162-8. doi: 10.1107/S0907444907045921. Epub 2007 Oct 17.

Abstract

Protein conformation families for automatic model building were determined for dipeptidic, tripeptidic, tetrapeptidic and pentapeptidic fragments. Mapping in n-dimensional conformational space (n = 2, 4 and 6), a conformation-generator method, a deletion-sorting process and a verification procedure were used to calculate the conformational preferences. Torsion angles were harvested from PDB structures with resolutions better than 1.5 A. Statistical weights were calculated for the conformation families.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Algorithms
  • Crystallography, X-Ray / methods
  • Databases, Protein
  • Models, Molecular*
  • Oligopeptides / chemistry*
  • Peptide Fragments / chemistry*
  • Protein Conformation
  • Software

Substances

  • Oligopeptides
  • Peptide Fragments