Table 8

Pair energies in peptide binding pocket 6
DP chain position aa peptide position aa Etotal Eatr Erep Esol Ehbnd Epair
A 9 Tyr 6 Phe −0.01 −0.04 0 0.03 0 0
A 11 Ala 6 Phe −0.31 −0.36 0 0.05 0 0
A 22 Phe 6 Phe −0.17 −0.16 0 0 0 0
A 62 Asn 6 Phe −1.09 −2.44 1.00 1.74 −1.39 0
A 63 Ile 6 Phe −0.01 −0.01 0 0 0 0
A 65 Ile 6 Phe −1.15 −1.38 0.02 0.22 0 0
A 66 Leu 6 Phe −0.76 −1.33 0.77 −0.21 0 0
A 69 Asn 6 Phe 0.02 −0.05 0 0.06 0 0
B 11 Gly 6 Phe −0.66 −0.82 0 0.17 0 0
B 12 Arg 6 Phe −0.21 −0.29 0 0.08 0 0
B 13 Gln 6 Phe −0.31 −1.56 0 1.25 0 0
B 26 Glu 6 Phe −0.03 −0.06 0 0.04 0 0
B 28 Tyr 6 Phe −0.50 −1.43 0.35 0.58 0 0
sum −5.18 −9.93 2.14 4.01 −1.39 0

No polymorphic residues exist here.

Patronov et al.

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

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