Work

Normal vibrations of crystalline polyglycine I

Year: 1972

Type: article

Abstract: A valence force field has been refined for crystalline polyglycine I using its known antiparallel chain pleated‐sheet structure and without replacing the CH2 group by a point mass. Polyglycine I and four of its isotopic derivatives were used in the refinement. The calculated frequencies are in good agreement with the observed, except for the amide I modes. It is shown that this is a consequence of the fact that no reasonable force field predicts a large D10 term of the Miyazawa perturbation treatment. The amide I splittings can, however, be satisfactorily accounted for by introducing a direct interaction force constant between adjacent CO groups in neighboring chains. This can reasonably arise from transition dipole coupling and corresponds to the heretofore neglected D11 term.

Source: Biopolymers

DOI: 10.1002/bip.1972.360110905

Authors: Yasuaki Abe, S. Krimm

Institution: University of Michigan

Language: English

Topic: Protein Structure and Dynamics

Subfield: Molecular Biology

Field: Biochemistry, Genetics and Molecular Biology

Domain: Life Sciences

Open Access status: green

Funders: National Science Foundation, University of Michigan, Shizuoka University

OpenAlex ID: W2041783403

FWCI: 1.438

Cites: 33

Cited by: 223

Related to: 9