Vibrational analysis of peptides, polypeptides, and proteins. I. Polyglycine I
Article first published online: 1 FEB 2004
Copyright © 1976 John Wiley & Sons, Inc.
Volume 15, Issue 12, pages 2439–2464, December 1976
How to Cite
Moore, W. H. and Krimm, S. (1976), Vibrational analysis of peptides, polypeptides, and proteins. I. Polyglycine I. Biopolymers, 15: 2439–2464. doi: 10.1002/bip.1976.360151210
- Issue published online: 1 FEB 2004
- Article first published online: 1 FEB 2004
- Manuscript Accepted: 12 JUL 1976
- Manuscript Received: 10 MAY 1976
A force field has been refined for the antiparallel chain-rippled sheet structure of polyglycine I. Transition dipole coupling and hydrogen bonding are explicitly taken into account. Amide I and amide II mode splittings are well accounted for, the latter also providing a quantitative explanation of the amide A and amide B mode frequencies and intensities. In addition to predicting other features of the vibrational spectrum of polyglycine I, this force field is completely transferable to other β polypeptides, even though these have the antiparallel chainpleated sheet structure.