Table 4 Statistical analysis of the time evolution of RMSD values from the MD simulations*, **, ***.
Wild-type | T138A | K140M | D193N | |||||
|---|---|---|---|---|---|---|---|---|
RMSDave | RMSDSD | RMSDave | RMSDSD | RMSDave | RMSDSD | RMSDave | RMSDSD | |
Run1 | 3.89 | 0.66 | 11.78 | 5.16 | 2.79 | 0.63 | 4.21 | 0.79 |
Run2 | 2.98 | 0.86 | 3.71 | 0.46 | 4.82 | 1.73 | 3.50 | 0.50 |
Run3 | 3.49 | 0.77 | 3.17 | 0.61 | 4.73 | 1.33 | 4.82 | 0.92 |
Run4 | 2.43 | 0.40 | 4.12 | 1.37 | 4.95 | 1.00 | 4.18 | 0.53 |
Run5 | 4.80 | 0.91 | 3.66 | 0.43 | 3.05 | 0.75 | 4.16 | 0.94 |
Run6 | 4.10 | 0.91 | 3.01 | 1.24 | 3.53 | 0.81 | 4.05 | 1.23 |
Run7 | 4.68 | 0.55 | 2.24 | 0.51 | 4.34 | 0.79 | 3.79 | 0.98 |
Run8 | 4.26 | 0.69 | 4.23 | 0.50 | 4.29 | 0.79 | 3.52 | 0.64 |
Min. | 2.43 | 0.40 | 2.24 (2.24) | 0.43 (0.43) | 2.79 | 0.63 | 3.50 | 0.50 |
Max. | 4.80 | 0.91 | 11.78 (4.23) | 5.16 (1.37) | 4.95 | 1.73 | 4.82 | 1.23 |
Median | 4.00 | 0.73 | 3.68 (3.66) | 0.56 (0.51) | 4.32 | 0.80 | 4.11 | 0.86 |
