TABLE 1.
Statistics for the calculations of the solution structure of Bc28.1
Root mean square deviations were calculated over mean coordinates by MOLMOL.
| Parameters | Values |
|---|---|
| NMR distance and dihedral constraints | |
| Distance constraints | |
| Total NOE | 2164 |
| Intraresidue | 540 |
| Interresidue | |
| Sequential (|i − j| = 1) | 737 |
| Medium-range (|i − j| < 4) | 540 |
| Long-range (|i − j| > 5) | 347 |
| Intermolecular | |
| Total dihedral angle restraints | |
| φ | 171 |
| ψ | 170 |
| χ1 | 33 |
| Structure statistics | |
| Violations (mean ± S.D.) | |
| Maximum distance constraint violation (Å) | 0.18 ± 0.04 |
| Maximum dihedral angle violation (degrees) | 2.53 ± 0.51 |
| Deviations from idealized geometry | |
| Bond lengths (Å) | 0.010 ± 0.001 |
| Bond angles (degrees) | 1.200 ± 0.024 |
| Impropers (degrees) | 1.423 ± 0.050 |
| Ramachandran plot (%) | |
| Most favored region | 88.9 |
| Additionally allowed region | 9.8 |
| Generously allowed region | 0.9 |
| Disallowed region | 0.4 |
| Average pairwise root mean square deviation (Å) (backbone/heavy) | |
| Residues 24–200 | 1.15 ± 0.20/1.77 ± 0.23 |