Table 1 NMR restraints and structural statistics s for r-RTSN.
From: Rattusin structure reveals a novel defensin scaffold formed by intermolecular disulfide exchanges
NMR restraints | No. of restraints |
|---|---|
Nuclear Overhauser effect (NOE)-derived distance restraints | 722 |
Hydrogen bond restraints | 20 |
Dihedral angle restraints | 40 |
Structural statistics (20 structures) | |
Violations | |
Number of distance restraints >0.5 Å | 0 |
Number of dihedral angle restraints >5° | 0 |
Root-mean-square deviation (RMSD) from experiments | |
Distance (Å) | 0.100 ± 0.005 |
Dihedral angle (°) | 2.223 ± 0.340 |
RMSD from idealized geometry | |
Bonds (Å) | 0.005 ± 0.000 |
Angles (°) | 0.654 ± 0.026 |
Impropers (°) | 0.497 ± 0.027 |
Ramachandran analysis (%) (all residues) | |
Most favored region | 62.1 |
Allowed region | 32.7 |
Disallowed region | 5.2 |
Average pairwise RMSD (Å) (residues 8–22) | |
Backbone heavy atoms | 0.39 ± 0.16 |
All heavy atoms | 1.27 ± 0.24 |
