Table 10 Pair energies in peptide position 8
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 | 8 | Pro | −0.14 | −0.13 | 0 | −0.01 | 0 | 0 |
A | 69 | Asn | 8 | Pro | 0.05 | −0.73 | 0 | 0.78 | 0 | 0 |
B | 55 | Asp | 8 | Pro | 0.03 | −0.02 | 0 | 0.05 | 0 | 0 |
B | 59 | Trp | 8 | Pro | −0.19 | −0.51 | 0 | 0.32 | 0 | 0 |
sum | −0.25 | −1.39 | 0 | 1.14 | 0 | 0 |