Table 6

Pair energies in peptide binding pocket 4
DP chain position aa peptide position aa Etotal Eatr Erep Esol Ehbnd Epair
A 9 Tyr 4 Leu −0.02 −0.04 0 0.03 0 0
A 62 Asn 4 Leu −1.05 −0.72 0 0.81 −1.13 0
B 13 Gln 4 Leu 0.18 −1.78 0.71 1.90 −0.66 0
B 24 Phe 4 Leu −0.37 −0.40 0.11 −0.08 0 0
B 26 Glu 4 Leu 0.08 −0.10 0 0.19 0 0
B 72 Val 4 Leu −0.76 −0.62 0.11 −0.25 0 0
B 76 Met 4 Leu −0.86 −0.88 0.16 −0.14 0 0
sum −2.80 −4.54 1.09 2.46 −1.79 0

Polymorphic residues are given in bold.

Patronov et al.

Patronov et al. BMC Structural Biology 2012 12:20   doi:10.1186/1472-6807-12-20

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