Analyses performed for user defined residues.
| Summary of conformationally-restricting experimental constraints a | |||
| NOE-based distance constraints: | |||
| Total | 1755 | ||
| intra-residue [i = j] | 455 | ||
| sequential [| i - j | = 1] | 498 | ||
| medium range [1 < | i - j | < 5] | 256 | ||
| long range [| i - j | ≥ 5] | 546 | ||
| NOE constraints per restrained residue b | 20.6 | ||
| Dihedral-angle constraints: | 125 | ||
| Total number of restricting constraints b | 1880 | ||
| Total number of restricting constraints per restrained residue b | 22.1 | ||
| Restricting long-range constraints per restrained residue b | 6.4 | ||
| Total structures computed | currently unknown | ||
| Number of structures used | 20 | ||
| Residual constraint violations a,c | |||
| Distance violations / structure | |||
| 0.1 - 0.2 Å | 10.6 | ||
| 0.2 - 0.5 Å | 19 | ||
| > 0.5 Å | 40.95 | ||
| RMS of distance violation / constraint | 0.34 Å | ||
| Maximum distance violation d | 4.83 Å | ||
| Dihedral angle violations / structure | |||
| 1 - 10 ° | 4.65 | ||
| > 10 ° | 0.85 | ||
| RMS of dihedral angle violation / constraint | 2.45 ° | ||
| Maximum dihedral angle violation d | 45.50 ° | ||
| RPF scores | |||
| Recall | Precision | F-measure | DP-score |
| 0.975 | 0.93 | 0.952 | 0.805 |
| RMSD Values | |||
| all | orderede | Selectedf | |
| All backbone atoms | 1.9 Å | 0.5 Å | 0.5 Å |
| All heavy atoms | 2.2 Å | 0.9 Å | 0.9 Å |
| Structure Quality Factors - overall statistics | |||
| Mean score | SD | Z-score g | |
| Procheck G-factor e (phi / psi only) | -0.29 | N/A | -0.83 |
| Procheck G-factor e (all dihedral angles) | 0.08 | N/A | 0.47 |
| Verify3D | 0.41 | 0.0200 | -0.80 |
| ProsaII (-ve) | 0.65 | 0.0441 | 0.00 |
| MolProbity clashscore | 2.97 | 1.1681 | 1.02 |
| General linear model RMSD prediction | 1.25 | ||
| Ramachandran Plot Summary from Procheck f | |||
| Most favoured regions | 93.1% | ||
| Additionally allowed regions | 6.9% | ||
| Generously allowed regions | 0.0% | ||
| Disallowed regions | 0.0% | ||
| Ramachandran Plot Statistics from Richardson's lab | |||
| Most favoured regions | 99.5% | ||
| Allowed regions | 0.5% | ||
| Disallowed regions | 0% |