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Vibrational analysis of peptides, polypeptides, and proteins. I. Polyglycine I

1976; Wiley; Volume: 15; Issue: 12 Linguagem: Inglês

10.1002/bip.1976.360151210

1097-0282

W. H. Moore, S. Krimm,

Spectroscopy and Quantum Chemical Studies

Abstract 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.