Table 1.
Statistical parameters for the 20 NMR structures of the T. Thermophilic RNase H* intermediate mimic.
NMR distance and dihedral constraints | |||
Total NOE | 2499 | ||
Intra residues NOE | 744 | ||
Sequential NOE (|i-j|=1) | 602 | ||
Short-range NOE (|i-j|≤4) | 572 | ||
Long-range NOE (|i-j|≥5) | 581 | ||
H-bonds | 63 | ||
Dihedral angles | 126 | ||
Structure statistics | |||
Violations (mean ± s.d.) | |||
NOE (all) | 0.048 ± 0.002 | ||
Dihedral angle (°) | 0.35 ± 0.03 | ||
Maximum distance restraint violations (Å) | 0.3 | ||
Maximum angle restraint violations (°) | 3.0 | ||
Deviations from idealized geometry | |||
Bonds (Å) | 0.0057 ± 0.0005 | ||
Angles (°) | 0.71 ± 0.04 | ||
Impropers (°) | 0.55 ± 0.04 | ||
Average pairwise r.m.s. deviation (Å) | |||
Backbone atoms | 0.51 | ||
All heavy atoms | 0.84 | ||
Ramachandran map statistics (%) | |||
Most favored | Allowed | Generally allowed | Disallowed |
72.8 ± 1.0 | 21.2 ± 1.2 | 4.9 ± 0.5 | 1.1 ± 0.0 |