Skip to main content

Table 6 Pair energies in peptide binding pocket 4

From: Peptide binding to HLA-DP proteins at pH 5.0 and pH 7.0: a quantitative molecular docking study

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

  1. Polymorphic residues are given in bold.