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. Author manuscript; available in PMC: 2014 Oct 9.

Published in final edited form as: J Am Chem Soc. 2013 Sep 25;135(40):10.1021/ja405200u. doi: 10.1021/ja405200u

Correlation of the methyl rotamer entropy versus O²_axis from MD simulations. Normalized entropy S_b/Nχ given for every side chain methyl probe. The correlation was highly linear (R² of 0.77) with a slope of −0.88 ± 0.03 and an intercept of 0.78 ± 0.02. The different proteins are represented as follows: () Ubiquitin, () α₃D, () Calmodulin-smMLCkp, () Calmodulin-nNOSp, () Hen Egg White Lysozyme, () Adipocyte lipid binding protein, () Cytochrome c₂.

Inline graphic — Correlation of the methyl rotamer entropy versus O²_axis from MD simulations. Normalized entropy S_b/Nχ given for every side chain methyl probe. The correlation was highly linear (R² of 0.77) with a slope of −0.88 ± 0.03 and an intercept of 0.78 ± 0.02. The different proteins are represented as follows: () Ubiquitin, () α₃D, () Calmodulin-smMLCkp, () Calmodulin-nNOSp, () Hen Egg White Lysozyme, () Adipocyte lipid binding protein, () Cytochrome c₂.