Analyses performed for user defined residues.
| Summary of conformationally-restricting experimental constraints a | |||
| NOE-based distance constraints: | |||
| Total | 870 | ||
| intra-residue [i = j] | 188 | ||
| sequential [| i - j | = 1] | 232 | ||
| medium range [1 < | i - j | < 5] | 271 | ||
| long range [| i - j | ≥ 5] | 179 | ||
| NOE constraints per restrained residue b | 11.9 | ||
| Dihedral-angle constraints: | 96 | ||
| Total number of restricting constraints b | 966 | ||
| Total number of restricting constraints per restrained residue b | 13.2 | ||
| Restricting long-range constraints per restrained residue b | 2.5 | ||
| Total structures computed | currently unknown | ||
| Number of structures used | 20 | ||
| Residual constraint violations a,c | |||
| Distance violations / structure | |||
| 0.1 - 0.2 Å | 16.6 | ||
| 0.2 - 0.5 Å | 16.3 | ||
| > 0.5 Å | 2.5 | ||
| RMS of distance violation / constraint | 0.08 Å | ||
| Maximum distance violation d | 2.39 Å | ||
| Dihedral angle violations / structure | |||
| 1 - 10 ° | 0.3 | ||
| > 10 ° | 0 | ||
| RMS of dihedral angle violation / constraint | 0.21 ° | ||
| Maximum dihedral angle violation d | 8.10 ° | ||
| RPF scores | |||
| Recall | Precision | F-measure | DP-score |
| 0.748 | 0.644 | 0.692 | 0.585 |
| RMSD Values | |||
| all | orderede | Selectedf | |
| All backbone atoms | 4.8 Å | 2.9 Å | 3.4 Å |
| All heavy atoms | 5.4 Å | 3.2 Å | 3.8 Å |
| Structure Quality Factors - overall statistics | |||
| Mean score | SD | Z-score g | |
| Procheck G-factor e (phi / psi only) | 0.54 | N/A | 2.44 |
| Procheck G-factor e (all dihedral angles) | 0.42 | N/A | 2.48 |
| Verify3D | 0.30 | 0.0304 | -2.57 |
| ProsaII (-ve) | 0.30 | 0.0832 | -1.45 |
| MolProbity clashscore | 15.63 | 2.9918 | -1.16 |
| General linear model RMSD prediction | 2.01 | ||
| Ramachandran Plot Summary from Procheck f | |||
| Most favoured regions | 90.9% | ||
| Additionally allowed regions | 6.9% | ||
| Generously allowed regions | 2.2% | ||
| Disallowed regions | 0.0% | ||
| Ramachandran Plot Statistics from Richardson's lab | |||
| Most favoured regions | 93.3% | ||
| Allowed regions | 5.1% | ||
| Disallowed regions | 1.6% |