Table 11

Pair energies in peptide binding pocket 9
DP chain position aa peptide position aa Etotal Eatr Erep Esol Ehbnd Epair
A 68 Asn 9 Ser −0.02 −0.05 0 0.07 0 −0.04
A 69 Asn 9 Ser −0.9 −1.73 0.18 1.99 −1.16 −0.18
A 70 Leu 9 Ser 0 −0.01 0 0.01 0 0
A 72 Thr 9 Ser 0.59 −0.68 0.98 1.13 −0.78 −0.07
A 73 Leu 9 Ser −0.15 −0.23 0 0.08 0 0
B 9 Phe 9 Ser 0 0 0 0 0 0
B 55 Asp 9 Ser −0.03 −0.40 0 0.46 0 −0.09
B 59 Trp 9 Ser −0.03 −0.04 0 0.01 0 0
sum −0.54 −3.14 1.16 3.75 −1.94 −0.38

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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