Analyses performed for user defined residues.
| Summary of conformationally-restricting experimental constraints a | |||
| NOE-based distance constraints: | |||
| Total | 1059 | ||
| intra-residue [i = j] | 164 | ||
| sequential [| i - j | = 1] | 237 | ||
| medium range [1 < | i - j | < 5] | 200 | ||
| long range [| i - j | ≥ 5] | 458 | ||
| NOE constraints per restrained residue b | 8.5 | ||
| Hydrogen bond constraints: | |||
| Total | 66 | ||
| long range [| i - j | ≥ 5] | 36 | ||
| Dihedral-angle constraints: | 111 | ||
| Total number of restricting constraints b | 1236 | ||
| Total number of restricting constraints per restrained residue b | 10.0 | ||
| Restricting long-range constraints per restrained residue b | 4.0 | ||
| Total structures computed | currently unknown | ||
| Number of structures used | 20 | ||
| Residual constraint violations a,c | |||
| Distance violations / structure | |||
| 0.1 - 0.2 Å | 0.25 | ||
| 0.2 - 0.5 Å | 0 | ||
| > 0.5 Å | 0 | ||
| RMS of distance violation / constraint | 0.00 Å | ||
| Maximum distance violation d | 0.13 Å | ||
| Dihedral angle violations / structure | |||
| 1 - 10 ° | 0 | ||
| > 10 ° | 0 | ||
| RMS of dihedral angle violation / constraint | 0.04 ° | ||
| Maximum dihedral angle violation d | 0.70 ° | ||
| RMSD Values | |||
| all | orderede | Selectedf | |
| All backbone atoms | 4.4 Å | 0.6 Å | 0.6 Å |
| All heavy atoms | 5.0 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) | -0.29 | N/A | -0.83 |
| Procheck G-factor e (all dihedral angles) | -0.17 | N/A | -1.01 |
| Verify3D | 0.37 | 0.0166 | -1.44 |
| ProsaII (-ve) | 0.35 | 0.0602 | -1.24 |
| MolProbity clashscore | 15.92 | 3.0307 | -1.21 |
| Ramachandran Plot Summary from Procheck f | |||
| Most favoured regions | 93.4% | ||
| Additionally allowed regions | 6.6% | ||
| Generously allowed regions | 0.0% | ||
| Disallowed regions | 0.0% | ||
| Ramachandran Plot Statistics from Richardson's lab | |||
| Most favoured regions | 96.4% | ||
| Allowed regions | 3.5% | ||
| Disallowed regions | 0.1% |