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. Author manuscript; available in PMC: 2009 Dec 12.
Published in final edited form as: J Mol Biol. 2008 Sep 26;384(2):531–539. doi: 10.1016/j.jmb.2008.09.044

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