Table 2.
Percentage of hydrogen bond and salt bridge occupancies during the simulations. bb: backbone, sc: side chain.
| TB4N-C | TB4N-mid | TB4N-N | ||||||
|---|---|---|---|---|---|---|---|---|
| Donor | Acceptor | Occ. (%) | Donor | Acceptor | Occ. (%) | Donor | Acceptor | Occ. (%) |
| GLU35-Nbb | THR33-Osc | 27.6 | LYS38-Nbb | GLU35-Obb | 26.0 | THR22-Nbb | LYS19-Obb | 23.8 |
| LEU17-Nbb | LYS14-Obb | 25.8 | LEU28-Nbb | ASN26-Osc | 28.2 | GLN23-Nbb | LYS18-Obb | 22.2 |
| LEU28-Nbb | ASN26-Osc | 36.6 | ILE34-Nbb | LYS31-Obb | 26.7 | GLU21-Nbb | LEU17-Obb | 23.4 |
| THR33-Nbb | GLN36-Obb | 32.0 | LYS31-Nbb | LEU28-Obb | 21.1 | ILE9-Nbb | MET6-Obb | 53.0 |
| LYS31-Nbb | LEU28-Obb | 22.5 | - | - | - | GLU8-Nbb | ASP5-Obb | 51.5 |
| - | - | - | - | - | - | LYS38-Nbb | GLU35-Obb | 20.0 |