Octanol-water Sidechain Solvation Free Energies (kJ/mol),,,,,,
,system:,AcWLXLL,AcGGXGG,Ac-X-amide,Whole-dipeptide,Free amino acid (pH 7)
,citation:,Ref. 1 (Table 2),Ref. 1 (Table 2),Refs. 1 and 2,Ref. 2 (Table 2),Ref. 2 (Table 2)
,,dGcor_x,dGgxg_x,dGfp_x,dGabsolute,dGabsolue
,Ala,-2.7196,-3.38904,-1.75728,8.619536995,15.53784958
,Arg+,2.76144,1.96648,5.73208,16.10492439,23.13665193
,Asn,-1.2552,-1.33888,3.30536,13.66650274,19.33725076
,Asp-,10.41816,10.29264,10.29264,,
,Cys,-4.89528,-5.81576,-5.81576,,
,Gln,-1.58992,-2.092,1.2552,11.62503345,17.86285627
,Glu-,10.37632,9.8324,9.8324,,
,His0,-4.35136,-5.31368,-0.75312,9.640271639,16.44516927
,Ile,-9.49768,-11.2968,-10.29264,0.170122441,9.583564159
,Leu,-10.0416,-11.58968,-9.6232,0.737197243,10.15063896
,Lys+,6.9036,5.81576,5.6484,15.99150943,17.29578147
,Met,-7.61488,-9.12112,-7.02912,3.402448814,10.6042988
,Phe,-11.96624,-13.55616,-10.20896,0.226829921,8.109169673
,Pro,-4.22584,-5.6484,-4.082938577,7.598802351,14.40369998
,Ser,-2.88696,-3.09616,0.2092,10.6042988,17.40919643
,Thr,-3.7656,-4.51872,-1.4644,8.903074396,16.67199919
,Trp,-13.55616,-15.14608,-12.84488,-2.38171417,6.010992904
,Tyr,-7.78224,-9.24664,-5.48104,4.93355078,11.62503345
,Val,-6.73624,-8.32616,-6.94544,3.459156294,12.81589053
,Gly,0,0,0,10.37746888,17.63602635
,Glu0,-4.35136,-4.89528,,,
,Asp0,-3.01248,-3.138,,,
,His+,4.93712,4.01664,,,
,,,,,,
,Ref. 1:,Wimley et al. Biochem. 35: 5109 (1996),,,DOI:,10.1021/bi9600153
,Ref. 2:,Fauchere & Pliska. Eur. J. Med. Chem. - Chim. Ther. 18: 369 (1983),,,,"""Hydrophobic parameters II of amino acid side-chains from the partitioning of N-acetyl-amino acid amides"""
,,https://www.researchgate.net/publication/246404378_Hydrophobic_parameters_II_of_amino_acid_side-chains_from_the_partitioning_of_N-acetyl-amino_acid_amides,,,,