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 | 18 | ||
| Residual constraint violations a,c | |||
| Distance violations / structure | |||
| 0.1 - 0.2 Å | 13.17 | ||
| 0.2 - 0.5 Å | 7.78 | ||
| > 0.5 Å | 3.06 | ||
| RMS of distance violation / constraint | 0.04 Å | ||
| Maximum distance violation d | 1.19 Å | ||
| Dihedral angle violations / structure | |||
| 1 - 10 ° | 1.28 | ||
| > 10 ° | 1 | ||
| RMS of dihedral angle violation / constraint | 0.98 ° | ||
| Maximum dihedral angle violation d | 30.00 ° | ||
| RPF scores | |||
| Recall | Precision | F-measure | DP-score |
| 0.947 | 0.937 | 0.942 | 0.688 |
| RMSD Values | |||
| all | orderede | Selectedf | |
| All backbone atoms | 8.4 Å | 0.7 Å | 0.7 Å |
| All heavy atoms | 8.6 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) | 0.36 | N/A | 1.73 |
| Procheck G-factor e (all dihedral angles) | 0.34 | N/A | 2.01 |
| Verify3D | 0.34 | 0.0401 | -1.93 |
| ProsaII (-ve) | 0.65 | 0.0754 | 0.00 |
| MolProbity clashscore | 6.72 | 1.7549 | 0.37 |
| General linear model RMSD prediction | 1.40 | ||
| Ramachandran Plot Summary from Procheck f | |||
| Most favoured regions | 92.6% | ||
| Additionally allowed regions | 7.4% | ||
| Generously allowed regions | 0.1% | ||
| Disallowed regions | 0.0% | ||
| Ramachandran Plot Statistics from Richardson's lab | |||
| Most favoured regions | 98.3% | ||
| Allowed regions | 1.7% | ||
| Disallowed regions | 0% |