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 | 17.25 | ||
| 0.2 - 0.5 Å | 38 | ||
| > 0.5 Å | 94.85 | ||
| RMS of distance violation / constraint | 1.33 Å | ||
| Maximum distance violation d | 7.59 Å | ||
| Dihedral angle violations / structure | |||
| 1 - 10 ° | 7.8 | ||
| > 10 ° | 4.4 | ||
| RMS of dihedral angle violation / constraint | 5.13 ° | ||
| Maximum dihedral angle violation d | 48.70 ° | ||
| RPF scores | |||
| Recall | Precision | F-measure | DP-score |
| 0.718 | 0.658 | 0.687 | 0.561 |
| RMSD Values | |||
| all | orderede | Selectedf | |
| All backbone atoms | 5.6 Å | 3.8 Å | 3.8 Å |
| All heavy atoms | 6.1 Å | 4.1 Å | 4.1 Å |
| Structure Quality Factors - overall statistics | |||
| Mean score | SD | Z-score g | |
| Procheck G-factor e (phi / psi only) | 0.36 | N/A | 1.73 |
| Procheck G-factor e (all dihedral angles) | 0.47 | N/A | 2.78 |
| Verify3D | 0.32 | 0.0445 | -2.25 |
| ProsaII (-ve) | 0.45 | 0.1153 | -0.83 |
| MolProbity clashscore | 5.61 | 1.3719 | 0.56 |
| General linear model RMSD prediction | 2.24 | ||
| Ramachandran Plot Summary from Procheck f | |||
| Most favoured regions | 92.3% | ||
| Additionally allowed regions | 6.1% | ||
| Generously allowed regions | 1.4% | ||
| Disallowed regions | 0.1% | ||
| Ramachandran Plot Statistics from Richardson's lab | |||
| Most favoured regions | 96.9% | ||
| Allowed regions | 2.6% | ||
| Disallowed regions | 0.5% |