Table 1. NMR statistics of 15 solution structures of Cuz1 AN1 ZnF*.
NMR distance and dihedral constraints | |
Distance constraints | |
Total NOE | 614 |
Intra-residue | 237 |
Inter-residue | 377 |
Sequential (|i-j| = 1) | 155 |
Medium-range (|i-j| < 4) | 78 |
Long-range (|i-j| > 5) | 144 |
Zinc cluster constraints | 60 |
Hydrogen bond constraints | 0 |
Total dihedral angle restraints | |
phi | 31 |
psi | 32 |
Structure statistics | |
Violations | |
Distance constraints (> 0.3Å) | 0 |
Vdw contacts | 0 |
Dihedral angle constraints (> 5°) | 0 |
Ramachandran plot † | |
Most favored region | 80.6 |
Allowed region | 19.4 |
Outlier region | 0.0 |
<r.m.s.d.> to mean structure (Å) ‡ | |
Heavy | 0.67 +/- 0.13 |
Backbone | 0.13 +/- 0.06 |
* The 15 structures with lowest target energy functions were selected from 100 conformers calculated by CYANA with 100,000 simulated annealing steps.
† wwPDB (5IJ4) validation results.
‡ For residues between Gly15 and Glu55.