Table 1.
Overview of MD simulations. Unfolding events correspond to the breaching of all native contacts in the stem. The SSA fraction corresponds to the proportion of structures that can be topologically classified using the single sequence approximation.
| Temperature/K | Number of trajectories | Time/ns | Cumulative time/ns | Unfolding events | SSA fraction |
|---|---|---|---|---|---|
| 300 | 4 | 20 – 100 | 320 | 0 | 0.99 |
| 320 | 3 | 100 | 300 | 0 | 0.99 |
| 350 | 3 | 100 | 300 | 0 | 0.98 |
| 400 | 79 | 100 – 360 | 12320 | 60 | 0.97 |
| 500 | 500 | 10 – 20 | 5310 | 491 | 0.94 |
| 600 | 500 | 1.5 | 750 | 492 | 0.94 |
| 700 | 500 | 1.0 | 500 | 500 | 0.95 |