Table 2.
Structural statistics for the ensemble of Hd1a structures
| Experimental restraints | |
| Interproton distance restraints | |
| Intra-residue | 178 |
| Sequential | 168 |
| Medium range (i–j < 5) | 142 |
| Long range (i–j ≥ 5) | 214 |
| Disulfide bond restraints | 9 |
| Dihedral angle restraints (ϕ, ψ) | 57 |
| Total number of restraints per residue | 21.3 |
| RMSD to mean coordinate structure (Å) | |
| Backbone atoms | 0.05 ± 0.01 |
| All heavy atoms | 0.41 ± 0.04 |
| Stereochemical quality | |
| Residues in most favoured Ramachandran region (%) | 87.9 ± 0.9 |
| Ramachandran outliers (%) | 0.0 ± 0.0 |
| Unfavourable side chain rotamers (%) | 11.1 ± 2.2 |
| Residues with bad angles | 0.0 ± 0.0 |
| Clashscore, all atoms | 0.0 ± 0.0 |
| Overall MolProbity score (percentile) | 1.89 ± 0.07 (81 ± 3) |
Root-mean-square deviation (RMSD) values were calculated over the well-defined regions of the structures (residues 2–35). Measures of stereochemical quality are from MolProbity (http://helix.research.duhs.duke.edu). Clashscore is the number of steric overlaps >0.4 Å per 103 atoms. All statistics are given as mean ± SD.