Table 1.
Experimental restraints | |
Total no. distance restraints | 171 |
Intraresidue | 90 |
Sequential | 73 |
Medium range, i − j < 5 | 8 |
Long range, i − j ≥ 5 | 0 |
Hydrogen bond restraints | 2 |
Dihedral angle restraints | 32 |
NOE violations exceeding 0.3 Å | 0 |
Dihedral violations exceeding 2.0 Å | 0 |
RMSD from mean structure, Å | |
Backbone atoms (residues 9–20) | 1.38 ± 0.56 |
All heavy atoms (residues 9–20) | 3.33 ± 0.98 |
Stereochemical qualitya | |
Residues in most favored Ramachandran region, % | 77.9 ± 8.9 |
Ramachandran outliers, % | 1.4 ± 1.8 |
Unfavorable side-chain rotamers, % | 3.7 ± 2.6 |
Clashscore, all atoms | 0.1 ± 0.4 |
Overall MolProbity score | 1.6 ± 0.3 |
a According to MolProbity (76).