title: A method to detect nonproline cis peptide bonds in proteins.
abstract: Based on the geometrical parameters around seventeen incorrectly assigned trans conformations of peptide bonds in protein structures and their correct cis counterparts, we have devised an algorithm that is capable of detecting these sites. The algorithm was optimized to reliably find all of the seventeen test cases. It can be used to quickly scan an atomic coordinate file or the complete Brookhaven Protein Data Base for more likely candidates for non-Pro cis peptide bonds. Also, it can be of help to guide the crystallographer in intermediate stages of structure determination towards suspect areas.
authors.affiliation: Institute of Molecular Biotechnology, Department of Structural Biology and Crystallography, P. O. Box 100813, D-07708 Jena, Germany. msweiss@imb-jena.de
authors.forename: M S
authors.initials: MS
authors.lastname: Weiss
authors.forename: R
authors.initials: R
authors.lastname: Hilgenfeld
mesh_terms: D000465:Algorithms; D000818:Animals; D002621:Chemistry / Q000379:methods*; D006801:Humans; D010455:Peptides / Q000737:chemistry*; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry*
chemical_list: D010455:Peptides; D011506:Proteins