Table 1. Structural statistics for the 20 lowest energy structures.
| Ensemble | Closest-to-mean | |
| Total NOE restraints | 4242 | |
| Ambiguous | 2173 | |
| Unambiguous/assignable | 2069 | |
| Intra-residue | 1046 | |
| Inter-residue | 1013 | |
| Sequential (|i–j| = 1) | 457 | |
| Non-sequential (|i–j|>1) | 566 | |
| Total RDC restraints | 247 | |
| 1DNH | 71 | |
| 1DNC′ | 70 | |
| 1DC′Cα | 66 | |
| 1DCαHα | 40 | |
| Hydrogen bonds | 25 | |
| Coordinate r.m.s.d (Å)b | ||
| Backbone heavy atomsa | 0.575 | 0.388 |
| All heavy atomsa | 0.963 | 0.817 |
| Parameter r.m.s.d from idealised geometry (mean and s.d.) | ||
| Bond lengths (Å) | 0.00435±8.8×10−5 | 0.0043 |
| Bond angles (°) | 0.663±0.015 | 0.642 |
| Impropers (°) | 2.18±0.078 | 2.07 |
| Dihedrals (°) | ||
| Violations (mean and s.d.) | ||
| Distance restraint violation (Å) | 0.033±0.007 | 0.031 |
| RDC Q factor | 0.122±0.005 | 0.115 |
| Ramachandran statistics (%) | ||
| Most favoured | 90.1 | 93.4 |
| Additionally allowed | 9.2 | 5.7 |
| Generously allowed | 0.4 | 0.0 |
| Disallowed | 0.3 | 0.8 |
a
Residues 4–126.
b
To the unbiased mean structure.