Stereochemical criteria for polypeptide and protein chain conformations. VIII. Energy maps for a pair of non-planar peptide units having distortion of bond angle at the α-carbon atom

Balasubramanian, R. ; Ramakrishnan, C. (1972) Stereochemical criteria for polypeptide and protein chain conformations. VIII. Energy maps for a pair of non-planar peptide units having distortion of bond angle at the α-carbon atom International Journal of Peptide and Protein Research, 4 (2). pp. 91-99. ISSN 0367-8377

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Official URL: http://onlinelibrary.wiley.com/doi/10.1111/j.1399-...

Related URL: http://dx.doi.org/10.1111/j.1399-3011.1972.tb03404.x

Abstract

Conformational study on a pair of alanyl peptide units has been made, considering the various contribution to the total potential energy, and the (φ, φ) energy maps corresponding to 3 different values of τ and ω around their ideal values (of 110° and 180° respectively) are presented. The global minima has been found to occur close to the right-handed 3→1 hydrogen-bonded region. The effect of distortions on the energy map as well as the effect of the various individual contributions to the total energy has been discussed. Also the barrier heights between the different regions of low energy in the (φ, φ) maps have been analyzed. Finally a comparison of the results with similar studies of other workers has been made.

Item Type:Article
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ID Code:41030
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