Analyses performed for user defined residues.
| Summary of conformationally-restricting experimental constraints a | |||
| NOE-based distance constraints: | |||
| Total | 1571 | ||
| intra-residue [i = j] | 333 | ||
| sequential [| i - j | = 1] | 481 | ||
| medium range [1 < | i - j | < 5] | 425 | ||
| long range [| i - j | ≥ 5] | 332 | ||
| NOE constraints per restrained residue b | 14.7 | ||
| Dihedral-angle constraints: | 399 | ||
| Total number of restricting constraints b | 1970 | ||
| Total number of restricting constraints per restrained residue b | 18.4 | ||
| Restricting long-range constraints per restrained residue b | 3.1 | ||
| Total structures computed | currently unknown | ||
| Number of structures used | 20 | ||
| Residual constraint violations a,c | |||
| Distance violations / structure | |||
| 0.1 - 0.2 Å | 12.4 | ||
| 0.2 - 0.5 Å | 2.6 | ||
| > 0.5 Å | 0 | ||
| RMS of distance violation / constraint | 0.02 Å | ||
| Maximum distance violation d | 0.43 Å | ||
| Dihedral angle violations / structure | |||
| 1 - 10 ° | 7.25 | ||
| > 10 ° | 0.45 | ||
| RMS of dihedral angle violation / constraint | 5.06 ° | ||
| Maximum dihedral angle violation d | 154.00 ° | ||
| RPF scores | |||
| Recall | Precision | F-measure | DP-score |
| 0.945 | 0.942 | 0.944 | 0.699 |
| RMSD Values | |||
| all | orderede | Selectedf | |
| All backbone atoms | 9.5 Å | 0.8 Å | 0.8 Å |
| All heavy atoms | 9.9 Å | 1.3 Å | 1.3 Å |
| Structure Quality Factors - overall statistics | |||
| Mean score | SD | Z-score g | |
| Procheck G-factor e (phi / psi only) | 0.06 | N/A | 0.55 |
| Procheck G-factor e (all dihedral angles) | -0.16 | N/A | -0.95 |
| Verify3D | 0.27 | 0.0376 | -3.05 |
| ProsaII (-ve) | 0.52 | 0.0665 | -0.54 |
| MolProbity clashscore | 25.33 | 4.1091 | -2.82 |
| General linear model RMSD prediction | 1.70 | ||
| Ramachandran Plot Summary from Procheck f | |||
| Most favoured regions | 90.6% | ||
| Additionally allowed regions | 9.3% | ||
| Generously allowed regions | 0.1% | ||
| Disallowed regions | 0.0% | ||
| Ramachandran Plot Statistics from Richardson's lab | |||
| Most favoured regions | 94.7% | ||
| Allowed regions | 5.2% | ||
| Disallowed regions | 0.1% |