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 |