Table 2. Mean Root Mean Square Fluctuation (RMSF) computed for the Cα atoms of the µOR backbone from the 0.5 µs all-atom MD simulation.
Element | RMSF (Å) | Element | RMSF (Å) |
H1 | 1.17 | EL1 | 1.00 |
H2 | 0.70 | EL2 | 1.25 |
H3 | 0.64 | EL3 | 1.82 |
H4 | 0.82 | IL1 | 0.81 |
H5 | 0.90 | IL2 | 1.19 |
H6 | 0.86 | IL3 | 2.30 |
H7 | 0.97 | ELs | 1.34 |
H8 | 1.11 | ILs | 1.66 |