Table 1.
NMR and refinement statistics for the VEK-30/K2Pg complex structure
| VEK-30/K2Pg complex | |
|---|---|
| Distance constrains | |
| Total NOEs | 1768 |
| Intra-residue | 801 |
| Inter-residue | |
| Sequential (|i−j|)=1 | 427 |
| Medium-range (|i−j|)≤4 | 202 |
| Long-range (|i−j|)≥5 | 279 |
| Intermolecular | 59 |
| Dihedral angle restraints | |
| φ angle | 71 |
| ψ angle | 71 |
| Hydrogen bonds | 60 |
| PROCHECK-NMR Ramachandran map analysis(%) | |
| Residues in most favored regions | 79.0 |
| Residues in additional allowed regions | 18.3 |
| Residues in generously allowed regions | 1.6 |
| Residues in disallowed regions | 1.1 |
| RMS deviations (Å) among 20 refined structuresa | |
| Backbone | 0.61 ± 0.07 |
| All heavy atoms | 1.07 ± 0.05 |
a
Residues 1–78 of K2pg, 6–26 of VEK-30 were selected, as the termini were too highly flexible.