Vibrational analysis of peptides, polypeptides, and proteins: Characteristic amide bands of β-turns
- 1 February 1979
- journal article
- research article
- Published by Proceedings of the National Academy of Sciences in Proceedings of the National Academy of Sciences
- Vol. 76 (2) , 774-777
- https://doi.org/10.1073/pnas.76.2.774
Abstract
Normal vibration calculations were made for a type I .beta.-turn of CH3-CO-(Ala)4-NH-CH3 and a type II .beta.-turn of CH3-CO-(Ala)2-Gly-Ala-NH-CH3. The force field was the one which was refined for .beta.-sheet and .alpha.-helical structures. A calculation was also done for CH3-O-CO-Gly-(Ala)2-Gly-O-CH3, which is an appropriate model for 2 tetrapeptides for which IR data are available. The agreement between observed and calculated frequencies in this case is good, thus supporting the conclusions drawn from the above .beta.-turn calculations. The most important result of the calculations is the prediction of bands near 1690 cm-1, a region heretofore associated only with the antiparallel-chain pleated sheet structure. Thus bands observed in proteins near 1690 cm-1 should be associated with the presence of .beta.-turns as well as of .beta.-sheets. A band near 1665 cm-1 is also characteristic of type II turns.Keywords
This publication has 21 references indexed in Scilit:
- β-turns in proteinsJournal of Molecular Biology, 1977
- Vibrational analysis of peptides, polypeptides, and proteins. II. β‐Poly(L‐alanine) and β‐poly(L‐alanylglycine)Biopolymers, 1976
- Vibrational analysis of peptides, polypeptides, and proteins. I. Polyglycine IBiopolymers, 1976
- Vibrational spectrum of the unordered polypeptide chain: A Raman study of feather keratinBiopolymers, 1976
- Applications of Raman spectroscopy to biological macromoleculesBiochimie, 1975
- Studies on the conformations and interactions of elastin. Proton magnetic resonance of the repeating tetramerBiopolymers, 1974
- Prediction of protein conformationBiochemistry, 1974
- Stereochemical criteria for polypeptides and proteins. V. Conformation of a system of three linked peptide unitsBiopolymers, 1968
- Conformation of small peptides. II. Synthesis and infrared studies of small peptidesJournal of the American Chemical Society, 1968
- Conformation of small peptides. I. Secondary structure in a tetrapeptideJournal of the American Chemical Society, 1967