Table 1.
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.