Table 3.
Conformational adaptation energies (kcal/mol)
|
Single Trajectory |
Separate Trajectory |
Adaptation Energy |
|||
|---|---|---|---|---|---|
| Free U1A (CLOSED) | σa | σa | |||
| Wild Type | −4216.39 | 2.30 | −4200.80 | 2.09 | −15.59 |
| F56A | −4206.42 | 2.37 | −4188.34 | 2.89 | −18.08 |
| F56L | −4238.23 | 2.45 | −4209.61 | 2.28 | −28.62 |
| F56W | −4211.28 | 2.23 | −4197.67 | 2.54 | −13.61 |
|
Free U1A (OPEN) |
|
|
|
|
|
| Wild Type | −4216.39 | 2.30 | −4235.34 | 2.24 | 18.95 |
| F56A | −4206.42 | 2.37 | −4228.46 | 2.09 | 22.04 |
| F56L | −4238.23 | 2.45 | −4261.49 | 2.05 | 23.26 |
| F56W | −4211.28 | 2.23 | −4233.51 | 2.08 | 22.23 |
|
Free SL2 RNA |
|
|
|
|
|
| Wild Type | −4608.26 | 1.47 | −4628.29 | 0.58 | 20.03 |
| F56A | −4603.79 | 1.68 | −4628.29 | 0.58 | 24.50 |
| F56L | −4599.49 | 1.46 | −4628.29 | 0.58 | 28.80 |
| F56W | −4601.03 | 1.44 | −4628.29 | 0.58 | 27.26 |
Standard error of mean values.