TABLE 1.
Structure statistics of microplusin
| A) Number of restraints | |
| NOE restraints | 1244 |
| Intra-residual | 595 |
| Sequential | 319 |
| Medium range | 172 |
| Long range | 158 |
| Ambiguous | 179 |
| Hydrogen bonds (two restraints each) | 40 |
| Dihedral angles (φ, ψ) | 98 |
| Total | 1601 |
| B) r.m.s.d. from experimental restraints | |
| NOEs (Å) | 0.05 ± 0.02 |
| Dihedral angles (°) | 1.5 ± 0.4 |
| C) CNS potential energy (kcal mol−1) | |
| Etotal | −2240 ± 125 |
| Ebonds | 51 ± 6 |
| Eangles | 242 ± 15 |
| Eimpropers | 163 ± 18 |
| Edihedral | 557 ± 7 |
| EvdW | −235 ± 29 |
| Eelec | −3900 ± 87 |
| Enoe | 195 ± 48 |
| Ecdih | 15 ± 11 |
| D) r.m.s.d. (Å) between average structure and the ensemblea | |
| Backbone | 0.40 ± 0.07 |
| All non-H | 0.79 ± 0.12 |
| E) Ramachandran plot analysis (%)a | |
| Residues in most favored regions | 82.7 |
| Residues in additionally allowed regions | 10.5 |
| Residues in generously allowed regions | 4.3 |
| Residues in disallowed regions | 2.4 |
a For residues 6–80.