Table 3.
Summary of structure quality
| DGSA* |
Refinement* |
RMSD† |
|||||
|---|---|---|---|---|---|---|---|
| DIHE‡ | VEAN§ | DIHE | VEAN | Backbone, Å | Heavy atom, Å | Backbone vs. 2QMT, Å | Backbone vs. 2GI9, Å |
| 1.01 ± 0.13 | 1.52 ± 0.12 | 2.20 ± 0.17 | 2.36 ± 0.16 | ||||
| X | X | 0.49 ± 0.05 | 1.19 ± 0.07 | 1.32 ± 0.06 | 1.42 ± 0.08 | ||
| X | X | 0.61 ± 0.09 | 1.26 ± 0.12 | 1.57 ± 0.14 | 1.73 ± 0.14 | ||
| X | X | N/A | N/A | N/A | N/A | ||
| X | X | 1.15 ± 0.09 | 1.71 ± 0.13 | 2.14 ± 0.27 | 2.32 ± 0.31 | ||
| X | X | X | 0.64 ± 0.09 | 1.29 ± 0.07 | 1.65 ± 0.19 | 1.85 ± 0.21 | |
| X | X | X | X | 0.31 ± 0.06 | 1.06 ± 0.07 | 1.43 ± 0.05 | 1.59 ± 0.06 |
| X | X | X | 0.52 ± 0.06 | 1.18 ± 0.05 | 1.36 ± 0.08 | 1.46 ± 0.11 | |
*Distance restraints were included in all calculations. Additional details are available in the SI Text.
†RMSD is calculated for residues 1–55.
‡X indicates the inclusion of TALOS dihedral restraints during the indicated period.
§X indicates the inclusion of vector angle restraints during the indicated period. The calculations including only distance and VEAN restraints failed to converge.