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. Author manuscript; available in PMC: 2015 Sep 2.
Published in final edited form as: Structure. 2014 Aug 7;22(9):1263–1273. doi: 10.1016/j.str.2014.05.018

Table 2.

NMR restraints and structural statistics

NMR distance, orientation &
dihedral angle restraints
Distance restraints
Total NOE (long-range) 67
HN-HN 23
HN-CH3* 19
CH3-CH3* 25
Total dihedral angle restraints++ 292
Φ 146
Ψ 146
Total RDC restraints 231
dataset 1 - Pf1 119
dataset 2 – gel 112
Structural statistics**+
RDC Q-factors
dataset 1 - Pf1 0.36
dataset 2 – gel 0.40
Average RMSD (Å)**
Backbone 0.85
All heavy atom 1.25
++

used to bias the selection of 3mer and 9mer backbone fragments, as outlined in Experimental Procedures

*

not stereo-specifically assigned

**

computed over the 10 lowest-energy structures, excluding the loop region at residues 95-105

+

no NOE violations (distance > 4.0 Å between interacting sites) present in the final ensemble

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