Table 1.
RAZUL | AZUL | |
---|---|---|
NMR distance and dihedral constraints | ||
NOE-derived distance constraints | ||
Intramolecular | 705 | 1084 |
Intra-residue | 386 | 412 |
Inter-residue | 319 | 672 |
Sequential (|i − j| = 1) | 192 | 257 |
Nonsequential (|i − j|>1) | 127 | 415 |
Intermolecular | 217 | |
Hydrogen bonds | 15 | 22 |
Total dihedral angle constrains | 66 | 110 |
ϕ | 33 | 55 |
ψ | 33 | 55 |
Structure statistics | ||
Violations (mean and s.d.) | ||
Distance constraints (Å) | 0 | |
Dihedral angle constraints (º) | 0 | |
Max. dihedral angle violation (º) | <5 | |
Max. distance constraint violation (Å) | <0.3 | |
Deviations from idealized geometry | ||
Bond lengths (Å) | 0.002 ± 0.000 | |
Bond angles (º) | 0.416 ± 0.008 | |
Impropers (º) | 0.283 ± 0.014 | |
Average pairwise r.m.s.d.* (Å) | ||
Backbone atoms | 0.59 ± 0.11 | |
Heavy atoms | 1.24 ± 0.17 |
*Pairwise r.m.s.d. for the 15 lowest energy structures for V328-A360 from RAZUL and K25-L82 from AZUL.