Table 1.
Total Restraints | 1833 |
NOE restraints | 1278 |
Intra-residue | 609 |
Sequential | 319 |
Medium range | 59 |
Long rang | 291 |
Talos phi/psi dihedral restraints | 170 |
Omega dihedral restraints | 111 |
Chirality restraints | 274 |
Structural Statistics | |
NOE violations > 0.5 Å | 3 ± 1 |
NOE violations > 0.3 Å | 13 ± 2 |
Dihedral angle violation > 20° | 0 |
Dihedral angle violation > 10° | 2 ± 1 |
r.m.s.d from ideal geometry | |
Bond lengths (Å) | 0.013 |
Bond angles (°) | 2.1 |
Restraint error r.m.s.d. | |
Distance restraints (Å) | 0.019 ± 0.071 |
Dihedral restraints (Å) | 0.54 ± 1.51 |
Atomic Pairwise r.m.s.d. | |
Backbone atoms | 1.38 ± 0.44 |
All heavy atoms | 1.59 ± 0.41 |
Ramachandran statistics | |
Most favored regions (%) | 81.8 |
Additionally allowed regions (%) | 16.9 |
Generously allowed regions (%) | 1.1 |
Disallowed regions (%) | 0.2 |