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. Author manuscript; available in PMC: 2012 Aug 9.
Published in final edited form as: J Phys Chem B. 2011 Nov 15;115(49):14668–14682. doi: 10.1021/jp208184e

Figure 4.

Figure 4

Optimization of 42 representative HB interactions of amino acids pairs68,69. All energies in kcal/mol. HB energies are calibrated within the statistical errors in explicit water simulations (~0.2–0.4 kcal/mol); HB distances are reproduced within the estimated errors (~0.2 Å).