Table 1.
RMSD from mean (Å) | |||
Region | T659 - S668 | R674 - T696 | T702 – T709 |
Backbone | 0.35 ± 0.09 | 0.86 ± 0.22 | 0.33 ± 0.10 |
All heavy atoms | 1.64 ± 0.14 | 1.82 ± 0.22 | 1.30 ± 0.20 |
Unambiguous restraints | |||
Intraresidue NOEs | 235 | ||
Sequential NOEs | 177 | ||
Medium-range NOEs (1 < |i –j| ≤ 4) | 113 | ||
Long-range NOEs (|i –j| ≥ 5) | 2 | ||
Hydrogen bond restraints | 62 | ||
TALOS angle restraints | 86 | ||
Total number of structural restraints | 675 | ||
Experimental restraint violations | |||
Distances with violations > 0.3 Å | 0 | ||
Dihedral angles with violations > 5 Å | 0 | ||
X-PLOR energy terms (kcal/mol) | |||
Eoverall | 96.5985 ± 1.1496 | ||
Ebonds | 4.4920 ± 0.1677 | ||
Eangles | 69.2550 ± 0.6868 | ||
Eimproper | 2.2584 ± 0.9245 | ||
Evdw | 10.1468 ± 1.3369 | ||
Enoe | 0.3381 ± 0.0741 | ||
Ecdih | 10.1093 ± 0.1743 |