Table 2. Summary of conformational constraints and statistics for the 15 lowest energy structures of C2HRNizp1.
| Restraints Information a,b | <SA>c |
| Total number of experimental distance restraints | 569 |
| C2HRNizp1 (intraresidual/sequential/medium/long) | 191/156/122/100 |
| Zn2+ coordination restraints | 3 |
| Hydrogen bonds | 1 |
| Dihedral angle restraints (Φ/Ψ) | 20/20 |
| Deviation from idealized covalent geometry | |
| Bonds (Å) | 0.0031 ± 0.0001 |
| Angles (°) | 0.481 ± 0.031 |
| Coordinate R.m.s. Deviation (Å)d | |
| Ordered backbone atoms (N, Cα, C’) | 0.462 ± 0.146 |
| Ordered heavy atoms | 1.034 ± 0.34 |
| Ramachandran Quality Parameters (%)e | |
| Residues in most favoured regions | 93.00% |
| Residues in allowed regions | 7.00% |
a No dihedral angle restraints in any of the structures included in the ensemble was violated by more than 5°.
b Simulated annealing, statistics refers to the ensemble of 15 structures with the lowest energy.
c No distance restraint in any of the structures included in the ensemble was violated by more then 0.5 Å.
d Root mean squared deviation between the ensemble of structures <SA> and the lowest energy structure and Ramachandran quality parameters calculated on residues Ser404–Ser426.