Table 4.
Ranked Model Fit Data from Structures from a Single Starting Model
| Model | FRET Restrained |
Relaxed |
Model Fit | ||
|---|---|---|---|---|---|
| Distance (Å) | Energy | Distance (Å) | Energy | ||
| 14 | 2.50 | 1,237.71 | 6.24 | 1,089.90 | 9,902.12 |
| 18 | 2.58 | 1,334.66 | 5.87 | 1,103.34 | 9,917.69 |
| 17 | 2.32 | 1,302.35 | 6.92 | 1,114.18 | 10,732.04 |
| 16 | 2.82 | 1,276.65 | 6.95 | 1,079.10 | 11,102.77 |
| 12 | 2.29 | 1,278.66 | 7.97 | 1,092.04 | 11,633.02 |
| 11 | 2.51 | 1,383.45 | 7.25 | 1,137.86 | 11,726.03 |
| 13 | 2.55 | 1,308.66 | 8.14 | 1,104.81 | 12,325.87 |
| 15 | 2.86 | 1,426.95 | 7.39 | 1,173.30 | 12,755.23 |
| 10 | 2.53 | 1,380.57 | 8.60 | 1,119.63 | 13,117.17 |
| 19 | 4.47 | 1,396.36 | 8.60 | 1,174.23 | 16,335.95 |
Distance measurements are the average distance differences of the model from the measured values. Energy is the energy penalty remaining after modeling. The FRET restrained columns show the model when it is heavily penalized for failing to satisfy the distance constraints, and the relaxed columns show the same data when the restrained models are unconstrained. Model fit is the sum of the distance × energy products for restrained and relaxed. The starting model for 10–19 was starting model 1 from Table 3.
See also Table S3.