Free energies of amino acid side-chain rotamers in alpha-helices, beta-sheets and alpha-helix N-caps.

@article{Stapley1997FreeEO,
  title={Free energies of amino acid side-chain rotamers in alpha-helices, beta-sheets and alpha-helix N-caps.},
  author={Benjamin J. Stapley and Andrew J. Doig},
  journal={Journal of molecular biology},
  year={1997},
  volume={272 3},
  pages={456-64}
}
Scales have previously been determined for the entropic cost of restricting amino acid side-chain rotations upon protein folding, giving the rule of thumb that the entropic cost of restricting a single side-chain bond is approximately 0.5 kcal mol-1. However, this result does not consider the distinct preferences shown by amino acid side-chains for particular side-chain chi1 angles in the folded protein. For example, Glu in an alpha-helix has chi1 4% gauche- (g-), 39% trans (t) and 58% gauche… CONTINUE READING

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