Table 1.
NMR-derived restraints and structural statistics
| NOE upper distance restraints | |
| Short-range (|i – j|<2) | 834 |
| Medium-range (2 ≤ |i – j| ≤ 4) | 217 |
| Long-range (|i – j|>4) | 518 |
| Total | 1569 |
| Dihedral angle restraints (ψ and ϕ) | 124 |
| Hydrogen bonds restraints | 35 |
| Distance restraints | |
| Protein–ligand | 84 |
| Ligand–ligand | 96 |
| CYANA target function value (Å2) | 0.14 |
| Number of violations | |
| Distance violations (>0.30 Å) | 0 |
| Dihedral angle violations (5.0°) | 0 |
| RMSD deviation from the averaged coordinates (Å)a | |
| Backbone atoms | 0.51 |
| Heavy atoms | 0.90 |
| Ramachandran analysisb | |
| Residues in most favored regions | 76.1% |
| Residues in additional allowed regions | 23.9% |
| Residues in generously allowed regions | 0.0% |
| Residues in disallowed regions | 0.0% |
a
For residues 61–150
b
For residues 60–159