Table 7 Pair energies in peptide position 5
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 | 62 | Asn | 5 | Pro | 0.38 | −0.86 | 0.25 | 0.99 | 0 | 0 |
A | 65 | Ile | 5 | Pro | −0.29 | −0.21 | 0 | −0.08 | 0 | 0 |
B | 13 | Gln | 5 | Pro | −0.06 | −0.39 | 0 | 0.36 | −0.02 | 0 |
B | 26 | Glu | 5 | Pro | 0.04 | −0.04 | 0 | 0.08 | 0 | 0 |