Table 2.
Structural statistics for the nineteen best NMR-derived GLuc structures.
| NOE distance restraints* | |
| All | 2573.4 ± 42.4 |
| Intra residue (|i − j|= 0) | 565.9 ± 14.7 |
| Sequential (|i − j|= 1) | 728.6 ± 6.6 |
| Medium-range (2 ≤|i −j|≤ 4) | 700.5 ± 18.1 |
| Long-range (|i − j|> 5) | 579.7 ± 32.2 |
| Dihedral angle | 183 |
| Hydrogen bonds | 25 |
| Disulfide bonds | 3 |
| RMSD to the representative structure** | |
| Backbone Cα (residues 10–18, 36–81, 96–145) | 1.39 Å ± 0.39 Å |
| Heavy atoms (residues 10–18, 36–81, 96–145) | 1.84 Å ± 0.20 Å |
| Backbone Cα (helices without α2) | 1.30 Å ± 0.36 Å |
| Heavy atoms (helices without α2) | 1.74 Å ± 0.45 Å |
| Ramachandran plot (representative structure) | |
| Residues in most favored regions | 71.8% |
| Residues in additionally allowed regions | 20.4% |
| Residues in generously allowed regions | 4.9% |
| Residues in disallowed regions | 2.8% |
19 rounds of CYANA calculation with different random seed37. * The averaged numbers of NOEs and their standard deviations are calculated over the 19 rounds of CYANA calculations. ** Averaged over the 18 structures (except for the representative structure).