Table 3. Refinement statistics for the TRPV1 system.
| CDMD | Phenix | Rosetta | Refmac | CDMD (TM domain) | |
|---|---|---|---|---|---|
| FSCavg (full map) | 0.632 | 0.639 | 0.626 | 0.530 | 0.684 |
| EMRinger | 1.28 | 1.08 | 0.98 | 0.348 | 2.12 |
| Bond lengths (Å) | 0.022 | 0.008 | 0.021 | 0.012 | 0.024 |
| Bond angles (°) | 2.14 | 1.50 | 2.18 | 2.81 | 2.25 |
| MolProbity | 1.23 | 1.90 | 1.39 | 3.55 | 1.50 |
| All-atom clashscore | 0.21 | 8.40 | 2.03 | 29.0 | 0.29 |
| Ramachandran statistics: | |||||
| Favored (%) | 93.37 | 99.24 | 93.75 | 91.29 | 90.89 |
| Allowed (%) | 5.97 | 0.76 | 5.26 | 7.01 | 7.59 |
| Outliers (%) | 0.66 | 0.0 | 0.99 | 1.70 | 1.52 |
| Poor rotamers (%) | 1.95 | 3.90 | 0.11 | 26.9 | 3.01 |
| CaBLAM flagged (%) | 15.9 | 23.2 | 20.5 | 17.9 | 14.8 |