CH-� interaction between cross-strand amino acid pairs stabilizes β-hairpins

Ghosh, P and Chatterjee, J (2020) CH-� interaction between cross-strand amino acid pairs stabilizes β-hairpins. In: Chemical Communications, 56 (92). pp. 14447-14450.

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Abstract

We identified several CH-� donor-acceptor pairs involving amino acid side chains with less polarized C-H bonds at a solvent-exposed site between the strands of a β-hairpin peptide. Therein, we observe a distance-dependent induction of CH-� interaction within the aliphatic-aromatic amino acid pair. Our results also suggest an interplay of hydrophobicity and CH-� interaction in dictating the stability of β-hairpins, where a leucine-tryptophan pair contributes -1.14 kcal mol-1 to the overall foldedness of the β-hairpin. © 2020 The Royal Society of Chemistry.

Item Type:	Journal Article
Publication:	Chemical Communications
Publisher:	Royal Society of Chemistry
Additional Information:	Copyright to this article belongs to Royal Society of Chemistry
Department/Centre:	Division of Biological Sciences > Molecular Biophysics Unit
Date Deposited:	08 Jan 2021 06:28
Last Modified:	08 Jan 2021 06:28
URI:	http://eprints.iisc.ac.in/id/eprint/67173

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