Table 9 Pair energies in peptide position 7
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 | 65 | Ile | 7 | Leu | −0.24 | −0.34 | 0 | 0.10 | 0 | 0 |
A | 69 | Asn | 7 | Leu | −1.11 | −0.66 | 0 | 0.76 | −1.21 | 0 |
B | 26 | Glu | 7 | Leu | 0.15 | −0.47 | 0 | 0.62 | 0 | 0 |
B | 28 | Tyr | 7 | Leu | −1.73 | −1.36 | 0 | 0.87 | −1.24 | 0 |
B | 45 | Phe | 7 | Leu | −0.34 | −0.29 | 0 | −0.05 | 0 | 0 |
B | 59 | Trp | 7 | Leu | −1.48 | −1.87 | 0.13 | 0.26 | 0 | 0 |
B | 65 | Ile | 7 | Leu | −0.33 | −0.24 | 0 | −0.10 | 0 | 0 |
B | 69 | Glu | 7 | Leu | 0.08 | −0.25 | 0 | 0.33 | 0 | 0 |
sum | −5.00 | −5.48 | 0.13 | 2.79 | −2.45 | 0 |