Analyses performed for user defined residues.
| Summary of conformationally-restricting experimental constraints a | |||
| NOE-based distance constraints: | |||
| Total | 1540 | ||
| intra-residue [i = j] | 324 | ||
| sequential [| i - j | = 1] | 413 | ||
| medium range [1 < | i - j | < 5] | 321 | ||
| long range [| i - j | ≥ 5] | 482 | ||
| NOE constraints per restrained residue b | 19.7 | ||
| Dihedral-angle constraints: | 231 | ||
| Total number of restricting constraints b | 1771 | ||
| Total number of restricting constraints per restrained residue b | 22.7 | ||
| Restricting long-range constraints per restrained residue b | 6.2 | ||
| Total structures computed | currently unknown | ||
| Number of structures used | 20 | ||
| Residual constraint violations a,c | |||
| Distance violations / structure | |||
| 0.1 - 0.2 Å | 12.2 | ||
| 0.2 - 0.5 Å | 4.7 | ||
| > 0.5 Å | 1.65 | ||
| RMS of distance violation / constraint | 0.01 Å | ||
| Maximum distance violation d | 0.76 Å | ||
| Dihedral angle violations / structure | |||
| 1 - 10 ° | 1.5 | ||
| > 10 ° | 2 | ||
| RMS of dihedral angle violation / constraint | 1.35 ° | ||
| Maximum dihedral angle violation d | 20.30 ° | ||
| RPF scores | |||
| Recall | Precision | F-measure | DP-score |
| 0.962 | 0.916 | 0.939 | 0.796 |
| RMSD Values | |||
| all | orderede | Selectedf | |
| All backbone atoms | 1.3 Å | 0.4 Å | 0.4 Å |
| All heavy atoms | 1.6 Å | 0.6 Å | 0.6 Å |
| Structure Quality Factors - overall statistics | |||
| Mean score | SD | Z-score g | |
| Procheck G-factor e (phi / psi only) | 0.04 | N/A | 0.47 |
| Procheck G-factor e (all dihedral angles) | 0.13 | N/A | 0.77 |
| Verify3D | 0.39 | 0.0313 | -1.12 |
| ProsaII (-ve) | 0.61 | 0.0971 | -0.17 |
| MolProbity clashscore | 15.86 | 2.1275 | -1.20 |
| General linear model RMSD prediction | 0.91 | ||
| Ramachandran Plot Summary from Procheck f | |||
| Most favoured regions | 93.9% | ||
| Additionally allowed regions | 6.1% | ||
| Generously allowed regions | 0.0% | ||
| Disallowed regions | 0.0% | ||
| Ramachandran Plot Statistics from Richardson's lab | |||
| Most favoured regions | 95.4% | ||
| Allowed regions | 4.6% | ||
| Disallowed regions | 0% |