Table 2. Summary of the percentage of the total simulation time showing formation of hydrogen bonds between T86 and I82.
| Monomer and replicas | M1 | M2 | M3 | M4 | M5 | M6 | Mean | SD |
|---|---|---|---|---|---|---|---|---|
| WTCx26 | ||||||||
| R1 | 4 | 99 | 0 | 98 | 0 | 0 | 33.50 | 50.37 |
| R2 | 26 | 98 | 0 | 40 | 17 | 0 | 30.17 | 36.03 |
| R3 | 23 | 98 | 45 | 78 | 0 | 0 | 40.67 | 40.79 |
| R4 | 6 | 99 | 0 | 93 | 0 | 12 | 34.83 | 47.62 |
| Mean | 14.50 | 98.50 | 11.25 | 77.25 | 4.25 | 3.00 | 34.79 | 41.39 |
| SD | 11.62 | 0.58 | 22.50 | 26.25 | 8.50 | 6.00 | ||
| G12R | ||||||||
| R1 | 89 | 89 | 6 | 97 | 39 | 0 | 50.33 | 44.14 |
| R2 | 62 | 96 | 45 | 99 | 0 | 1 | 50.50 | 43.78 |
| R3 | 80 | 78 | 52 | 97 | 0 | 4 | 51.83 | 41.21 |
| R4 | 70 | 97 | 1 | 99 | 0 | 1 | 44.67 | 49.28 |
| Mean | 75.25 | 90.00 | 26.00 | 98.00 | 9.75 | 1.50 | 50.08 | 41.82 |
| SD | 11.76 | 8.76 | 26.22 | 1.15 | 19.50 | 1.73 |