TABLE 1.
Statistics for the 20 NMR structures of oryctin
| Restraints | |
| Distance restraints derived from NOEs | |
| All | 552 |
| Intraresidual (|i − j| = 0) | 117 |
| Sequential (|i − j| = 1) | 226 |
| Medium range (2 ≤ |i − j| ≤ 5) | 116 |
| Long range (|i − j| > 6) | 103 |
| Hydrogen bond restraintsa | 12 |
| Disulfide bond restraintsb | 9 |
| Dihedral angle restraints | |
| ϕ | 38 |
| ψ | 41 |
| Ramachandran plot (no. of residues/%) | |
| Most favored | 815/76.9 |
| Additionally allowed | 228/21.5 |
| Generously allowed | 15/1.4 |
| Disallowed | 2/0.2 |
| r.m.s.d. of atomic coordinatesc | |
| Backbone atoms (Å)d,e | 0.79 ± 0.17 |
| Non-hydrogen atoms (Å)e | 1.43 ± 0.21 |
| Restraint violations | |
| r.m.s.d. distance restraint violations (Å) | 0.018 ± 0.002 |
| r.m.s.d. dihedral angle restraint violations | 0.45 ± 0.09 ° |
| Target function | |
| CYANA target function (Å2) | 1.3 ± 0.1 |
a Three hydrogen bonds each with four distance restraints.
b Three disulfide bonds each with three distance restraints.
c r.m.s.d., root mean square deviation.
d N, Cα, and C′ of each residue.
e For well defined regions (residues 6–61).