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Table 2 Free energy contribution of the twenty amino acids and the twenty pairs of amino acids

From: Development of a group contribution method for estimating free energy of peptides in a dodecane-water system via molecular dynamic simulations

Amino acid ΔG [KJ/mol] +/− Pair ΔG [KJ/mol] +/−
Asp −388.14 2.87 Ala-Asp −413.69 4.03
Glu −356.4 0.82 Ala-Glu −384.85 2.06
Lys −294.61 2.34 Ala-Lys −373.32 2.42
Arg −270.66 1.31 Ala-Arg −255.87 1.31
Tyr −177.3 2.22 Ala-Asn −235.97 8.07
Trp −168.78 1.69 Ala-Tyr −229.8 2.17
Gly −166.48 0.76 Ala-His −220.27 3.65
Gln −166.19 1.15 Ala-Gly −219.52 1.11
His −165.46 1.71 Ala-Cys −218.76 2.7
Ala −164.27 1.61 Ala-Leu −218.45 0.77
Asn −161.24 2.19 Ala-Ala −218.35 1.49
Leu −158.99 1.58 Ala-Gln −217.31 1.47
Val −157.54 1.74 Ala-Pro −215.99 0.79
Phe −157.47 1.18 Ala-Val −215.68 0.84
Ile −156.9 1.23 Ala-Ile −215.08 0.95
Cys −151.74 1.16 Ala-Ser −213.13 1.2
Ser −150.28 0.98 Ala-Phe −210.77 1.56
Thr −146.34 0.72 Ala-Trp −209.8 1.54
Pro −144.78 1.05 Ala-Met −207.59 3.6
Met −138.63 1.58 Ala-Thr −206.68 1.63