Summary of conformationally-restricting constraints and structure quality factors
Summary of experimental constraints
Distance constraints:
| Total | 123 |
| intra-residue [i = j] | 18 |
| sequential [(i - j) = 1] | 49 |
| medium range [1 < (i - j) <= 5] | 37 |
| long range [(i - j) > 5] | 19 |
| Number of distance constraints per residue | 1.7 |
| Dihedral-angle constraints: | 78 |
Hydrogen bond constraints:
| Total | 46 |
| long range [(i - j) > 5] | 0 |
| Total number of constraints (all) per residue | 3.5 |
|
| Total number of long-range constraints per residue | 0.3 |
| Total structures computed | currently unknown |
|
| Number of structures used | 10 |
Residual constraint violationsa
Distance violations / structure
| 0.1 - 0.2 Å | 0 |
| 0.2 - 0.5 Å | 0 |
| > 0.5 Å | 0 |
| RMS of distance violation / constraint | 0.00 Å |
| Maximum distance violation b | 0.01 Å |
Dihedral angle violations / structure
| RMS of dihedral angle violation / constraint | 0.02 ° |
| Maximum dihedral angle violation b | 0.60 ° |
RMSD Values
| all residues | ordered residues c |
| All backbone atoms | 15.9 Å | 7.4 Å |
| All heavy atoms | 14.2 Å | 8.0 Å |
Structure Quality Factors - overall statistics
| Mean score for all models | Standard Deviation |
| Procheck G-factor c (phi / psi only) | -0.50 | N/A |
| Procheck G-factor c (all dihedral angles) | -0.95 | N/A |
| Profile3d | 0.06 | 0.01 |
| ProsaII | -0.35 | 0.04 |
Ramachandran Plot Summary from Procheck c
| Most favoured regions | 93.1% |
| Additionally allowed regions | 6.9% |
| Generously allowed regions | 0.0% |
| Disallowed regions | 0.0% |
a Calculated using sum over r-6
b Largest constraint violation among all the reported structures
c Residues with sum of phi and psi order parameters > 1.8
Ordered residue ranges: 20 - 31, 38 - 49, 54 - 68