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