| List of constraints |
|
| NOE distance restraints |
|
| Unambiguous |
2,767 |
| Ambiguous |
496 |
| Hydrogen bond restraints |
60 |
| Dihedral angle restraints |
96 |
| 15N-1H residual dipolar couplings |
78 |
| Stereospecific assignments (Val γ, Leu δ) |
12 |
| Structural analysis |
|
| Mean rms deviation from experimental restraints |
|
| NOE, Å |
0.022 +/- 0.002 |
| Dihedral angles, deg |
1.04 +/- 0.16 |
| Average number of: |
|
| NOE violations >0.5 Å |
0 |
| NOE violations >0.3 Å |
1.9 +/- 1.2 |
| Dihedral violations >5° |
1.6 +/- 1.1 |
| Mean rms from idealized covalent geometry |
|
| Bonds, Å |
0.0045 |
| Angles, deg. |
0.65 |
| Impropers, deg. |
1.69 |
| Geometric analysis of residues 6-91 and 98-112 |
|
| rms deviation to mean |
0.53 +/- 0.07 Å (backbone) |
|
1.08 +/- 0.10 Å (all heavy) |
| Ramachandran analysis (procheck) |
81.0% most-favored |
|
16.4% additionally allowed |
|
1.6% generously allowed |
|
1.0% disfavored |
