Analyses performed for user defined residues.
| Summary of conformationally-restricting experimental constraints a | |||
| NOE-based distance constraints: | |||
| Total | 1023 | ||
| intra-residue [i = j] | 306 | ||
| sequential [| i - j | = 1] | 207 | ||
| medium range [1 < | i - j | < 5] | 318 | ||
| long range [| i - j | ≥ 5] | 192 | ||
| NOE constraints per restrained residue b | 23.2 | ||
| Hydrogen bond constraints: | |||
| Total | 48 | ||
| long range [| i - j | ≥ 5] | 0 | ||
| Dihedral-angle constraints: | 68 | ||
| Total number of restricting constraints b | 1139 | ||
| Total number of restricting constraints per restrained residue b | 25.9 | ||
| Restricting long-range constraints per restrained residue b | 4.4 | ||
| Total structures computed | currently unknown | ||
| Number of structures used | 18 | ||
| Residual constraint violations a,c | |||
| Distance violations / structure | |||
| 0.1 - 0.2 Å | 0.61 | ||
| 0.2 - 0.5 Å | 0.33 | ||
| > 0.5 Å | 0 | ||
| RMS of distance violation / constraint | 0.00 Å | ||
| Maximum distance violation d | 0.48 Å | ||
| Dihedral angle violations / structure | |||
| 1 - 10 ° | 0 | ||
| > 10 ° | 0.06 | ||
| RMS of dihedral angle violation / constraint | 0.30 ° | ||
| Maximum dihedral angle violation d | 10.40 ° | ||
| RPF scores | |||
| Recall | Precision | F-measure | DP-score |
| 0.991 | 0.942 | 0.966 | 0.815 |
| RMSD Values | |||
| all | orderede | Selectedf | |
| All backbone atoms | 3.0 Å | 0.2 Å | 0.2 Å |
| All heavy atoms | 3.5 Å | 0.4 Å | 0.4 Å |
| Structure Quality Factors - overall statistics | |||
| Mean score | SD | Z-score g | |
| Procheck G-factor e (phi / psi only) | 0.70 | N/A | 3.07 |
| Procheck G-factor e (all dihedral angles) | 0.70 | N/A | 4.14 |
| Verify3D | 0.32 | 0.0271 | -2.25 |
| ProsaII (-ve) | 0.98 | 0.0892 | 1.36 |
| MolProbity clashscore | 0.64 | 0.8980 | 1.42 |
| General linear model RMSD prediction | -0.14 | ||
| Ramachandran Plot Summary from Procheck f | |||
| Most favoured regions | 99.5% | ||
| Additionally allowed regions | 0.5% | ||
| Generously allowed regions | 0.0% | ||
| Disallowed regions | 0.0% | ||
| Ramachandran Plot Statistics from Richardson's lab | |||
| Most favoured regions | 100% | ||
| Allowed regions | 0% | ||
| Disallowed regions | 0% |