Analyses performed for user defined residues.
| Summary of conformationally-restricting experimental constraints a | |||
| NOE-based distance constraints: | |||
| Total | 1513 | ||
| intra-residue [i = j] | 373 | ||
| sequential [| i - j | = 1] | 424 | ||
| medium range [1 < | i - j | < 5] | 206 | ||
| long range [| i - j | ≥ 5] | 510 | ||
| NOE constraints per restrained residue b | 11.2 | ||
| Dihedral-angle constraints: | 660 | ||
| Total number of restricting constraints b | 2173 | ||
| Total number of restricting constraints per restrained residue b | 16.1 | ||
| Restricting long-range constraints per restrained residue b | 3.8 | ||
| Total structures computed | currently unknown | ||
| Number of structures used | 20 | ||
| Residual constraint violations a,c | |||
| Distance violations / structure | |||
| 0.1 - 0.2 Å | 9.7 | ||
| 0.2 - 0.5 Å | 3.45 | ||
| > 0.5 Å | 0.45 | ||
| RMS of distance violation / constraint | 0.01 Å | ||
| Maximum distance violation d | 0.66 Å | ||
| Dihedral angle violations / structure | |||
| 1 - 10 ° | 12.45 | ||
| > 10 ° | 0.1 | ||
| RMS of dihedral angle violation / constraint | 0.55 ° | ||
| Maximum dihedral angle violation d | 41.10 ° | ||
| RMSD Values | |||
| all | orderede | Selectedf | |
| All backbone atoms | 5.3 Å | 0.7 Å | 0.7 Å |
| All heavy atoms | 6.0 Å | 1.1 Å | 1.1 Å |
| Structure Quality Factors - overall statistics | |||
| Mean score | SD | Z-score g | |
| Procheck G-factor e (phi / psi only) | -0.07 | N/A | 0.04 |
| Procheck G-factor e (all dihedral angles) | -0.27 | N/A | -1.60 |
| Verify3D | 0.39 | 0.0176 | -1.12 |
| ProsaII (-ve) | 0.41 | 0.0786 | -0.99 |
| MolProbity clashscore | 19.11 | 3.8646 | -1.75 |
| Ramachandran Plot Summary from Procheck f | |||
| Most favoured regions | 93.5% | ||
| Additionally allowed regions | 6.4% | ||
| Generously allowed regions | 0.1% | ||
| Disallowed regions | 0.0% | ||
| Ramachandran Plot Statistics from Richardson's lab | |||
| Most favoured regions | 97.7% | ||
| Allowed regions | 2.2% | ||
| Disallowed regions | 0.1% |