Table 2.
List of simulated systems (main set).
| System name | Restrained P19 CA–CA distance (opposite subunits) (nm) | Restrained P19 CA–CA distance (adjacent) (nm) | Restrained F97 CA–CA distance (opposite subunits) (nm) | Restrained F97 CA–CA distance (adjacent subunits) (nm) | Distance restraint force constant (kJ/mol/nm2) |
|---|---|---|---|---|---|
| 4QE9 − 0.6 | 2.87 | 1.85 | 2.78 | 1.79 | 1000 |
| 4QE9 − 0.4 | 3.07 | 2.05 | 2.98 | 1.99 | 1000 |
| 4QE9 − 0.2 | 3.27 | 2.25 | 3.18 | 2.19 | 1000 |
| 4QE9 | 3.47 | 2.45 | 3.38 | 2.39 | 1000 |
| 3LDC | 3.6 | 2.55 | 3.66 | 2.6 | 1000 |
| 3LDC + 0.1 | 3.7 | 2.65 | 3.76 | 2.7 | 1000 |
| 3LDC + 0.2 | 3.8 | 2.75 | 3.86 | 2.8 | 1000 |
| 3LDC + 0.3 | 3.9 | 2.85 | 3.96 | 2.9 | 1000 |
| 3LDC + 0.4 | 4.0 | 2.95 | 4.06 | 3.0 | 1000 |
| 3LDC + 0.5 | 4.1 | 3.05 | 4.16 | 3.1 | 1000 |
| 3LDC + 0.6 | 4.2 | 3.15 | 4.26 | 3.2 | 1000 |
| 1LNQ − 0.2 | 4.1 | 2.8 | 3.8 | 2.6 | 1000 |
| 1LNQ | 4.3 | 3.0 | 4.0 | 2.8 | 1000 |
| 1LNQ + 0.2 | 4.5 | 3.2 | 4.2 | 3.0 | 1000 |
| 1LNQ + 0.4 | 4.7 | 3.4 | 4.4 | 3.2 | 1000 |
| 1LNQ + 0.6 | 4.9 | 3.6 | 4.6 | 3.4 | 1000 |