Table 5

Pair energies in peptide position 3
DP chain position aa peptide position aa Etotal Eatr Erep Esol Ehbnd Epair
A 9 Tyr 3 Tyr −0.53 −0.67 0 0.14 0 0
A 22 Phe 3 Tyr −0.03 −0.03 0 0 0 0
A 54 Phe 3 Tyr −0.75 −0.77 0.03 0 0 0
A 55 Glu 3 Tyr −0.77 −0.93 0 0.79 −0.63 0
A 57 Gln 3 Tyr 0 −0.01 0 0.01 0 0
A 58 Gly 3 Tyr −0.80 −1.11 0 0.32 0 0
A 62 Asn 3 Tyr 0.01 −0.18 0 0.18 0 0
B 76 Met 3 Tyr −0.28 −0.40 0 0.11 0 0
B 80 Asn 3 Tyr 0.01 −0.07 0 0.08 0 0
sum −3.14 −4.17 0.03 1.63 −0.63 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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