Conformation families of protein fragments in multidimensional torsion-angle space.

Acta Crystallogr D Biol Crystallogr

Department of Chemical Drugs, Faculty of Pharmacy, University of Veterinary and Pharmaceutical Sciences in Brno, 612 42 Brno, Czech Republic.

Published: November 2007

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.

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http://dx.doi.org/10.1107/S0907444907045921DOI Listing

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