Table 4.
Structural clusters identified for geometry 1 along the reaction coordinate Pfold. ⟨Q⟩ is the average fraction of native contacts formed in the starting ensemble, D stands for dominant cluster, SD for subdominant cluster, and T represents the third cluster that emerges from Pfold=0.6 onward. The (averaged mean) time to fold starting from the conformations in each cluster is shown as a fraction of the folding time starting from a random coil conformer.
| Pfold | No. of conformations | ⟨Q⟩ | Cluster (No. of conformations) | Time to fold (%MFPT) |
|---|---|---|---|---|
| 0.2 | 598 | 0.45 | D1:108; D2:28 | (41%, 35%) |
| 0.3 | 498 | 0.48 | D:240; SD:65 | (33%, 28%) |
| 0.4 | 450 | 0.49 | D1:133; D2:48; SD:21 | (32%, 28%, 17%) |
| 0.5 | 452 | 0.50 | D1:127; D2:39; SD:31 | (33%, 25%, 17%) |
| 0.6 | 427 | 0.51 | D:111; T:57; SD:41 | (21%, 41%, 17%) |
| 0.7 | 541 | 0.54 | D:215; T:67; SD:73 | (28%, 22%, 17%) |
| 0.8 | 1170 | 0.59 | D:674; T:170; SD:71 | (17%, 30%, 16%) |