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Solvent Accessibility Studies of \beta -Bends and Application to Cyclic Hexapeptides

Soman, KV and Ramakrishnan, C (1985) Solvent Accessibility Studies of \beta -Bends and Application to Cyclic Hexapeptides. In: Biopolymers, 24 (7). pp. 1205-1214.


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The solvent-accessible surface areas (ASAs), of the atoms in tripeptides around the minimum-energy conformations of the \beta -bend types I, I', II, and II' have been computed as a first step in the systematic solvent accessibiity study of secondary structures. The side chains chosen at the two middle positions of the bend are L-Ala, D-Ala, and Gly. The ASAs of the hydrogen atoms are reported here and are found useful in determining the type of \beta -bends in six examples of cyclic hexapeptides whose crystal structures are known. Comparison with observation showed that all the \beta -bends in these cyclic hexapeptides were correctly identified by the present method. This points to a possible use of the method in identifying \beta -bend types in solution.

Item Type: Journal Article
Publication: Biopolymers
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: 07 Dec 2005
Last Modified: 19 Sep 2010 04:21
URI: http://eprints.iisc.ac.in/id/eprint/4111

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