Table 2.
Root mean square deviation (RMSD) and radii of gyration values of the systems investigated here, averaged over the equilibrated trajectories (namely the last 6 μs for mouse monomeric and dimeric systems and 1.3 μs for the bacterial systems).
| System | RMSD (nm) | Radius of Gyration (nm) |
|---|---|---|
| mTSPO_mon, OMM | 1.2 ± 0.05 | 1.7 ± 0.03 |
| mTSPO_mon, chl_mem | 0.6 ± 0.05 | 1.8 ± 0.03 |
| mTSPO(Rs)_mon, OMM | 0.8 ± 0.05 | 1.7 ± 0.02 |
| mTSPO(Rs)_mon, chl_mem | 0.6 ± 0.05 | 1.7 ± 0.02 |
| mTSPO, chain A, OMM | 1.1 ± 0.05 | 1.7 ± 0.02 |
| mTSPO, chain B, OMM | 1.0 ± 0.05 | 1.8 ± 0.02 |
| mTSPO, chain A, chl_mem | 1.2 ± 0.04 | 1.7 ± 0.01 |
| mTSPO, chain B, chl_mem | 1.1 ± 0.06 | 1.8 ± 0.02 |
| mTSPO(Rs), chain A, OMM | 0.8 ± 0.05 | 1.8 ± 0.02 |
| mTSPO(Rs), chain B, OMM | 0.6 ± 0.05 | 1.7 ± 0.01 |
| mTSPO(Rs), chain A, chl_mem | 0.6 ± 0.04 | 1.7 ± 0.02 |
| mTSPO(Rs), chain B, chl_mem | 0.5 ± 0.05 | 1.7 ± 0.01 |
| BcTSPO, chain A, Bc_mem | 0.6 ± 0.01 | 1.6 ± 0.01 |
| BcTSPO, chain B, Bc_mem | 0.6 ± 0.02 | 1.6 ± 0.01 |
| BcTSPO, chain A, chl_mem | 0.5 ± 0.03 | 1.6 ± 0.01 |
| BcTSPO, chain B, chl_mem | 0.6 ± 0.02 | 1.6 ± 0.01 |
| RsTSPO, chain A, Rs_mem | 0.7 ± 0.04 | 1.7 ± 0.01 |
| RsTSPO, chain B, Rs_mem | 0.5 ± 0.02 | 1.7 ± 0.01 |
| RsTSPO_chain A, chl_mem | 0.6 ± 0.04 | 1.7 ± 0.01 |
| RsTSPO_chain B, chl_mem | 0.6 ± 0.03 | 1.7 ± 0.02 |