title: Identifying protein β-turns with vibrational Raman optical activity.
abstract: β-turns belong to the most important secondary structure elements in proteins. On the basis of density functional calculations, vibrational Raman optical activity signatures of different types of β-turns are established and compared as well as related to other signatures proposed in the literature earlier. Our findings indicate that there are much more characteristic ROA signals of β-turns than have been hitherto suggested. These suggested signatures are, however, found to be valid for the most important type of β-turns. Moreover, we compare the influence of different amino acid side chains on these signatures and investigate the discrimination of β-turns from other secondary structure elements, namely α- and 3(10)-helices.
authors: ETH Zurich, Laboratorium für Physikalische Chemie, Zurich, Switzerland.
authors: Thomas
authors: T
authors: Weymuth
authors: Christoph R
authors: CR
authors: Jacob
authors: Markus
authors: M
authors: Reiher
mesh_terms: D000596:Amino Acids / Q000737:chemistry; D000818:Animals; D008668:Metallothionein / Q000737:chemistry; D008958:Models, Molecular; D009842:Oligopeptides / Q000737:chemistry; D017433:Protein Structure, Secondary; D011506:Proteins / Q000737:chemistry; D051381:Rats; D013059:Spectrum Analysis, Raman; D014732:Vibration
chemical_list: D000596:Amino Acids; D009842:Oligopeptides; D011506:Proteins; D008668:Metallothionein