Elastic effects behind cooperative bonding inβ-sheets

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Abstract

We present extensive density functional theory calculations of the bonding between strands in â-sheets. We identify a significant cooperative effect whereby the interaction increases in strength with the number of strands. We show that the effect is related to a coupling between interstrand bonding and intrastrand elastic properties. It is found that a direct consequence of this coupling is that the pitch of â-sheets should contract with increasing number of strands, and we show that the effect can be observed directly in experimental data from the Protein Data Bank.
Original languageEnglish
JournalJournal of the American Chemical Society
Volume126
Pages (from-to)13140-13143
ISSN0002-7863
Publication statusPublished - 2004

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