| NMR constraints |
|
| Distance |
1030 |
| Intraresidue |
539 |
| Sequential (|i–j| = 1) |
220 |
| Medium-range (|i–j| < 5) |
132 |
| Long-range (|i–j| ≥5) |
139 |
| TALOS+ Dihedral angle restraints |
120 |
| Structure statistics |
|
| Rms deviations from idealized covalent geometry |
|
| Bond length (Å) |
0.015 |
| Bond angle (°) |
1.9 |
| Average rms deviation from current reliable structures (rms Z scores, null deviation = 1) |
| Bond length (Å) |
0.807 ± 0.007 |
| Bond angle (°) |
0.976± 0.015 |
| Rms deviations from distance restraints(Å) |
0.0046 ± 0.0005 |
| Rms deviations from dihedral restraints (°) |
0.104 ± 0.018 |
| CYANA target function (Ǻ2) |
0.57 |
| AMBER Kcal/mol |
|
| Total |
-504 ± 19 |
| Van der Waals |
- 469 ±7 |
| Electrostatic |
- 319 ± 17 |
| Coordinate precision |
|
| RMSD from mean structure (residue 9–78) (Ǻ) |
|
| All backbone atoms |
0.634 |
| All heavy atoms |
1.034 |
| Ramachandran analysis (residue 9–78), % residues |
|
| Most favored regions |
84 |
| Additional allowed regions |
14.9 |
| Generously allowed regions |
1.1 |
| Disallowed regions |
0 |
