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 language | English |
|---|---|
| Journal | Journal of the American Chemical Society |
| Volume | 126 |
| Pages (from-to) | 13140-13143 |
| ISSN | 0002-7863 |
| Publication status | Published - 2004 |
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