| final no. of NMR restraints |
|
| total distance |
1311 |
| unambiguous/ambiguous |
1046/265 |
| itraresidue |
632 |
| squential |
279 |
| medium-range (from residue i to i + j, j = 2−4) |
149 |
| long-range (from residue i to i + j, j > 4) |
251 |
| deviation from idealized geometry |
|
| bond lengths (Å) |
0.001 ± 0.000 |
| bond angles (deg) |
0.258 ± 0.014 |
| improper dihedrals (deg) |
0.135 ± 0.029 |
| no. of restraint violations |
|
| distance restraint violation >0.5 Å |
0 |
| dihedral restraint violation >5° |
0 |
| rmsd (Å) from average |
|
| backbone atoms in structured regions |
1.33 |
| heavy atoms in structured regions |
1.78 |
| backbone atoms in secondary structure elements |
0.79 |
| heavy atoms in secondary structure elements |
1.28 |
| Whatif quality checka
|
|
| first-generation packing quality |
−1.70 |
| second-generation packing quality |
−2.08 |
| Ramachandran plot appearance |
−2.70 |
| X1-χ2 rotamer normality |
−1.10 |
| backbone conformation |
−1.66 |
| Procheck Ramachandran statisticsb
|
|
| most favored region (%) |
80.8 |
| additionally allowed regions (%) |
15.7 |
| generously allowed regions (%) |
2.6 |
| disallowed regions (%) |
0.8 |
