Table 7.

Total, Self, and Interaction Components of Solvation Free Energy for Ala10 (kcal/mol)

Total	PE	Perfect	GBHCT	GBOBC	GBNeck
alpha	−47.96 ± 0.77	−47.42 ± 0.77	−51.64 ± 0.94	−49.38 ± 0.98	−43.27 ± 0.82
hairpin	−57.28 ± 1.15	−57.70 ± 1.04	−57.45 ± 1.17	−56.02 ± 1.19	−52.83 ± 1.05
left	−54.85 ± 0.90	−52.45 ± 0.82	−55.05 ± 0.90	−52.70 ± 0.93	−48.24 ± 0.08
pp2	−78.00 ± 0.92	−81.22 ± 0.97	−77.26 ± 0.94	−77.99 ± 0.95	−77.48 ± 0.92
Self	PE	Perfect	GBHCT	GBOBC	GBNeck
alpha	−763.77 ± 1.68	−763.77 ± 1.68	−813.34 ± 2.91	−748.18 ± 4.85	−703.92 ± 5.51
hairpin	−822.96 ± 2.96	−822.96 ± 2.96	−843.65 ± 2.23	−798.59 ± 3.55	−787.25 ± 3.58
left	−754.11 ± 1.86	−754.11 ± 1.86	−798.61 ± 3.00	−724.13 ± 5.15	−676.81 ± 5.54
pp2	−882.27 ± 1.45	−882.27 ± 1.45	−885.93 ± 1.47	−862.55 ± 2.12	−875.09 ± 1.52
Interaction	PE†	Perfect	GBHCT	GBOBC	GBNeck
alpha	715.81	716.36 ± 1.75	761.70 ± 2.48	698.80 ± 4.34	660.65 ± 5.17
hairpin	765.68	765.26 ± 2.94	786.20 ± 1.89	742.57 ± 3.07	734.42 ± 3.22
left	699.26	701.66 ± 2.03	743.56 ± 2.75	671.43 ± 4.85	628.57 ± 5.35
pp2	804.27	801.05 ± 1.44	808.67 ± 1.32	784.56 ± 1.86	797.61 ± 1.36

^†Calculated from PE(Total) - PE(Self)