Table 1.
Number of experimental NMR restraints | |
Dihedral angles | |
phi | 38 |
psi | 38 |
Residual dipolar couplings (RDC) | |
1H-15N RDC | 60 |
Distances | |
CO-HN hydrogen bonds | 38 |
Plane distances | |
HN-plane | 8 |
Structure statisticsa | |
Violations (mean ± s.d.) | |
Dihedral angle restraints (°) | 1.145 ± 0.111 |
1H-15N RDC restraints (Hz) | 0.767 ± 0.029 |
distance restraints (Å) | 0.144 ± 0.003 |
plane distance restraints (Å) | 1.311 ± 0.087 |
Deviations from idealized geometry | |
Bond lengths (Å) | 0.002 ± 0.000 |
Bond angles (°) | 0.461 ± 0.008 |
Impropers (°) | 0.460 ± 0.011 |
Average pairwise r.m.s.d. (Å) | |
Backbone | 0.181 ± 0.059 |
Heavy | 1.038 ± 0.106 |
Ramachandran Plot Statisticsb | |
residues in most favored regions (%) | 86.3 |
residues in additional allowed regions (%) | 11.2 |
residues in generously allowed regions (%) | 2.2 |
residues in disallowed regions (%) | 0.4 |
Evaluated for 10 lowest energy structures out of a total 100 calculated structures.
Evaluated with the program PROCHECK [49].