Table 4 Description of the interface molecular events at the atomic level in the TLRs-hMPV beta1 and MHCs-hMPV beta1 docked complexes.
Complex description | No. of residues in the interface | No. of Salt bridges | No. of hydrogen bonds | No. of nonbonded contacts | Interface area (Å2) |
|---|---|---|---|---|---|
TLR-4 | 36 | 08 | 16 | 214 | 1610 |
hMPV beta1 | 30 | 1717 | |||
TLR-2 | 30 | 05 | 17 | 165 | 1508 |
hMPV beta1 | 27 | 1567 | |||
MHC-I-hMPV beta1-complex | 14–19 (A-C) | 02 (A-C) | 02 (A-C) | 95 (A-C) | 934–936 (A-C) |
1–3 (B-C) | 1 (B-C) | 1 (B-C) | 03 (A-C) | 94 − 77 (B-C) | |
MHC-II-hMPV beta1-complex | 7–12 (A-C) | 7–12 (A-C) | 03 (A-C) | 34 (A-C) | 472 − 429 (A-C) |
26–28 (B-C) | 26–28 (B-C) | 10 (B-C) | 193 (B-C) | 1374–1387 (B-C) |
