TABLE 1.
NOE upper distance limits | |
Total | 2935 |
Intraresidue (|i − j| = 0) | 604 |
Sequential (|i − j| = 1) | 779 |
Medium range (1 〈|i − j | >5) | 552 |
Long range (|i − j| > = 5) | 1000 |
Intermolecular | 202 |
Hydrogen bonds | 33 |
Disulfide bond | 1 |
Dihedral angle restraints | 230 |
Distance restraint violations | |
Number >0.2 Å | 0 |
Mean r.m.s. violations from distance restraints | 0.0043 ± 0.0005 Å |
Dihedral angle restraint violations | |
Number >5° | 0 |
Mean r.m.s. violations from dihedral angle restraints | 0.3307 ± 0.0655° |
Ramachandran statistics | |
Residues in preferred regions | 93.4% |
Residues in allowed regions | 4.8% |
Residues in disallowed regions | 1.8% |
r.m.s deviation to the mean coordinatesa | |
Backbone atoms | 0.26 ± 0.04 Å |
Heavy atoms | 0.68 ± 0.05 Å |
a Pairwise r.m.s.d. was calculated for residues 80–172 and 296–318 among 20 refined structures.