Analyses performed for user defined residues.
| Summary of conformationally-restricting experimental constraints a | |||
| NOE-based distance constraints: | |||
| Total | 2531 | ||
| intra-residue [i = j] | 433 | ||
| sequential [| i - j | = 1] | 592 | ||
| medium range [1 < | i - j | < 5] | 536 | ||
| long range [| i - j | ≥ 5] | 970 | ||
| NOE constraints per restrained residue b | 30.9 | ||
| Dihedral-angle constraints: | 116 | ||
| Total number of restricting constraints b | 2647 | ||
| Total number of restricting constraints per restrained residue b | 32.3 | ||
| Restricting long-range constraints per restrained residue b | 11.8 | ||
| Total structures computed | currently unknown | ||
| Number of structures used | 20 | ||
| Residual constraint violations a,c | |||
| Distance violations / structure | |||
| 0.1 - 0.2 Å | 40.65 | ||
| 0.2 - 0.5 Å | 97.45 | ||
| > 0.5 Å | 260.35 | ||
| RMS of distance violation / constraint | 0.74 Å | ||
| Maximum distance violation d | 7.15 Å | ||
| Dihedral angle violations / structure | |||
| 1 - 10 ° | 11.35 | ||
| > 10 ° | 3.5 | ||
| RMS of dihedral angle violation / constraint | 3.93 ° | ||
| Maximum dihedral angle violation d | 59.30 ° | ||
| RPF scores | |||
| Recall | Precision | F-measure | DP-score |
| 0.876 | 0.845 | 0.86 | 0.773 |
| RMSD Values | |||
| all | orderede | Selectedf | |
| All backbone atoms | 1.9 Å | 0.7 Å | 0.6 Å |
| All heavy atoms | 2.5 Å | 1.0 Å | 1.0 Å |
| Structure Quality Factors - overall statistics | |||
| Mean score | SD | Z-score g | |
| Procheck G-factor e (phi / psi only) | -0.14 | N/A | -0.24 |
| Procheck G-factor e (all dihedral angles) | 0.15 | N/A | 0.89 |
| Verify3D | 0.46 | 0.0169 | 0.00 |
| ProsaII (-ve) | 0.64 | 0.0583 | -0.04 |
| MolProbity clashscore | 5.86 | 1.3034 | 0.52 |
| General linear model RMSD prediction | 2.17 | ||
| Ramachandran Plot Summary from Procheck f | |||
| Most favoured regions | 91.7% | ||
| Additionally allowed regions | 8.2% | ||
| Generously allowed regions | 0.1% | ||
| Disallowed regions | 0.0% | ||
| Ramachandran Plot Statistics from Richardson's lab | |||
| Most favoured regions | 99.6% | ||
| Allowed regions | 0.4% | ||
| Disallowed regions | 0% |