Table 1. Structural statistics for the ensemble of OAIP-1 structures1.
| Experimental restraints2 | |
| Interproton distance restraints | |
| Intraresidue | 135 |
| Sequential | 202 |
| Medium range (i–j<5) | 103 |
| Long range (i–j≥5) | 173 |
| Hydrogen-bond restraints3 | 10 |
| Disulfide-bond restraints | 9 |
| Dihedral-angle restraints (φ,Ψ, χ1) | 49 |
| Total number of restraints per residue | 20.0 |
| R.m.s. deviation from mean coordinate structure (Å) | |
| Backbone atoms (residues 1–33) | 0.14±0.02 |
| All heavy atoms (residues 1–33) | 0.62±0.07 |
| Stereochemical quality4 | |
| Residues in most favored Ramachandran region (%) | 93.4±0.7 |
| Ramachandran outliers (%) | 0±0 |
| Unfavorable sidechain rotamers (%) | 13.4±2.9 |
| Clashscore, all atoms5 | 0.1±0.5 |
| Overall MolProbity score | 1.8±0.1 |
1
All statistics are given as mean ±S.D.
2
Only structurally relevant restraints, as defined by CYANA, are included.
3
Two restraints were used per hydrogen bond.
4
According to MolProbity (http://molprobity.biochem.duke.edu).
5
Defined as the number of steric overlaps >0.4 Å per thousand atoms.