Table 4

Pair energies in peptide position 2
DP chain position aa peptide position aa Etotal Eatr Erep Esol Ehbnd Epair
A 9 Tyr 2 His −0.49 −0.69 0 0.59 −0.39 0
A 54 Phe 2 His −0.16 −0.25 0 0.09 0 0
B 76 Met 2 His −0.57 −0.63 0 0.06 0 0
B 79 His 2 His −1.45 −2.45 0.03 1.13 0 −0.16
B 80 Asn 2 His −1.94 −1.62 0 1.73 −1.95 −0.10
B 83 Leu 2 His −0.14 −0.19 0 0.05 0 0
sum −4.75 −5.83 0.03 3.65 −2.34 −0.26

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

Open Data