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| CDMD | MDFF (restraints) | MDFF (no restraints) | |
|---|---|---|---|
| FSCavg (full map) | 0.673 | 0.711 | 0.713 |
| Bond lengths (Å) | 0.017 | 0.021 | 0.020 |
| Bond angles (°) | 2.11 | 2.34 | 2.30 |
| MolProbity | 1.15 | 1.31 | 1.48 |
| All-atom clashscore | 0.07 | 0.0 | 0.0 |
| Ramachandran statistics: | |||
| Favored (%) | 94.77 | 93.01 | 90.09 |
| Allowed (%) | 4.01 | 5.29 | 7.36 |
| Outliers (%) | 1.22 | 1.70 | 2.55 |
| Poor rotamers (%) | 2.18 | 3.02 | 3.72 |
| CaBLAM flagged (%) | 11.1 | 13.3 | 18.1 |
