Table 3.
Hydrogen bonds established between the binding grooves and the peptide residues in each simulation.
| Groove B*27:05/B*07:02 |
pDYNEIN/ HLA-B*27:05 |
pEBNA3A/ HLA-B*27:05 |
pDYNEIN/
HLA-B*07:02 |
pEBNA3A/
HLA-B*07:02 |
|---|---|---|---|---|
| Glu 45/Glu 45 | P1 | P1 | ||
| Tyr 59/Tyr 59 | P1 | |||
| Glu 63/Asn 63 | P1 | P1 | P1 | |
| Lys 70/Gln 70 | P7 | |||
| Thr 73/Thr 73 | P8 | |||
| Asp 77/Ser 77 | ||||
| Thr 80/Asn 80 | P9 | |||
| Asn 97/Ser 97 | P7 | |||
| Tyr 99/Tyr 99 | P1 | |||
| His114/Asp 114 | P7 | |||
| Ile 142/Ile 142 | ||||
| Lys 146/Lys 146 | P7–P9 | P8 | P8–P9 | |
| Trp 147/Trp 147 | ||||
| Leu 156/Arg 156 | P7 | |||
| Tyr 159/Tyr 159 | P1 | P1 | P1 | |
| Glu 163/Glu 163 | P1 | P4 |
The residues of the peptides are reported as P1 (for the first residue) to P9 (for the last one).