Energy calculations on helical polypeptides: Structure of polyglycine II

Balaji, VN (1981) Energy calculations on helical polypeptides: Structure of polyglycine II. In: International Journal of Quantum Chemistry, 20 (2). pp. 347-356.

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Abstract

Single chain and packing energy calculations have been made on polyglycine (threefold and fourfold helical structures) with interchain NH...O hydrogen bonds. In conformation A of polyglycine, in which the NH groups point away from the helix axis and the CO groups are nearer to the helix axis, the conformational energy is nearly the same for threefold and fourfold structures. However, the minimum energy conformation corresponds to a threefold structure of polyglycine with peptide configurations in conformation B in which the CO groups point away from the helix axis and NH groups are nearer to the helix axis. This structure is consistent with the polyglycine II x-ray diffraction data.

Item Type:	Journal Article
Publication:	International Journal of Quantum Chemistry
Publisher:	John Wiley & Sons, Inc.
Additional Information:	The copyright belongs to John Wiley & Sons, Inc.
Department/Centre:	Division of Biological Sciences > Molecular Biophysics Unit
Date Deposited:	11 Nov 2005
Last Modified:	19 Sep 2010 04:21
URI:	http://eprints.iisc.ac.in/id/eprint/3966

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