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. 2014 Oct 20;111(44):15792–15797. doi: 10.1073/pnas.1411098111

Table 1.

NMR restraints and structural statistics

Measurements LM0P LM1P LM2P (RAN): LM0P Ran: (LM0P)
Total distance restraints 256 129 353 397 600
Number of torsion angle dynamics steps 5,000 5,000 5,000 5,000 5,000
Number of structures initial: 50 Final: 10 Final: 10 Final: 10 Final: 10 Final: 10
Hydrogen bonds 42 62 75 76 364
Total dihedral angle restraints 62 90 90 94 154
ɸ 31 45 45 47 77
ψ 31 45 45 47 77
Restraint violations
 Distance restraint violation > 0.2 Å None None None None None
 Angle restraint violation > 5.0° None 1 None None 5
Average RMSD (Å) among the 10 refined structures
 Residues 1–71 1–71 1–71 1–71 1–216
 Backbone residues 2.0 1.2 3.1 1.0 4.8
Ramachandran statistics of 10 structures (% residues)
 Most favored regions 94.2 98.4 96.8 98.6 94.4
 Additional allowed regions 5.8 1.6 3.2 0 2.8
 Disallowed regions 0 0 0 1.4 2.8

All values were generated by CYANA for structure determination before Xplor-NIH refinement. Reported RMSD values rounded to 0.1 Å.