Analyses performed for user defined residues.
| Summary of conformationally-restricting experimental constraints a | |||
| NOE-based distance constraints: | |||
| Total | 2064 | ||
| intra-residue [i = j] | 388 | ||
| sequential [| i - j | = 1] | 611 | ||
| medium range [1 < | i - j | < 5] | 440 | ||
| long range [| i - j | ≥ 5] | 625 | ||
| NOE constraints per restrained residue b | 17.8 | ||
| Dihedral-angle constraints: | 128 | ||
| Total number of restricting constraints b | 2192 | ||
| Total number of restricting constraints per restrained residue b | 18.9 | ||
| Restricting long-range constraints per restrained residue b | 5.4 | ||
| Total structures computed | currently unknown | ||
| Number of structures used | 20 | ||
| Residual constraint violations a,c | |||
| Distance violations / structure | |||
| 0.1 - 0.2 Å | 17.75 | ||
| 0.2 - 0.5 Å | 40.65 | ||
| > 0.5 Å | 139.7 | ||
| RMS of distance violation / constraint | 0.67 Å | ||
| Maximum distance violation d | 7.79 Å | ||
| Dihedral angle violations / structure | |||
| 1 - 10 ° | 11.2 | ||
| > 10 ° | 5.95 | ||
| RMS of dihedral angle violation / constraint | 4.57 ° | ||
| Maximum dihedral angle violation d | 51.00 ° | ||
| RPF scores | |||
| Recall | Precision | F-measure | DP-score |
| 0.876 | 0.938 | 0.906 | 0.707 |
| RMSD Values | |||
| all | orderede | Selectedf | |
| All backbone atoms | 2.1 Å | 1.2 Å | 1.2 Å |
| All heavy atoms | 2.7 Å | 1.7 Å | 1.7 Å |
| Structure Quality Factors - overall statistics | |||
| Mean score | SD | Z-score g | |
| Procheck G-factor e (phi / psi only) | -0.32 | N/A | -0.94 |
| Procheck G-factor e (all dihedral angles) | 0.07 | N/A | 0.41 |
| Verify3D | 0.32 | 0.0284 | -2.25 |
| ProsaII (-ve) | 0.47 | 0.0618 | -0.74 |
| MolProbity clashscore | 3.38 | 1.1341 | 0.95 |
| General linear model RMSD prediction | 1.98 | ||
| Ramachandran Plot Summary from Procheck f | |||
| Most favoured regions | 87.3% | ||
| Additionally allowed regions | 12.7% | ||
| Generously allowed regions | 0.1% | ||
| Disallowed regions | 0.0% | ||
| Ramachandran Plot Statistics from Richardson's lab | |||
| Most favoured regions | 97.9% | ||
| Allowed regions | 2% | ||
| Disallowed regions | 0.1% |