TABLE 2.
Structural statistics for the 10 structures of GBAP
| Statistic | Value |
|---|---|
| NOE-derived distance restraints | |
| Intraresidue (|i − j| = 0) | 57 |
| Sequential (|i − j| = 1) | 27 |
| Short range (2 ≤ |i − j| ≤ 4) | 13 |
| Long range (|i − j| ≥ 5) | 8 |
| Total | 105 |
| Dihedral restraints (φ) | 8 |
| RMSD from ideal geometry | |
| Bond (Å) | 0.01 ± 0.0003 |
| Angle (°) | 1.19 ± 0.07 |
| Improper (°) | 0.86 ± 0.06 |
| RMSD from experimental restraints | |
| Interproton distance (Å) | 0.11 ± 0.03 |
| Dihedral (°) | 0.00 ± 0.00 |
| Mean CNS energy (kcal/mol) ± SD | |
| Noe | 90.2 ± 4.6 |
| Cdih | 0.0 ± 0.0 |
| vdw (repel) | 47.0 ± 4.5 |
| Total | 240.8 ± 8.9 |
| Ramachandran statistics (%) | |
| Most favored | 48.6 |
| Allowed | 37.1 |
| Generously allowed | 14.3 |
| Disallowed | 0.0 |
| Pairwise RMSD of atomic coordinates (Å) | |
| Backbone | 0.20 ± 0.07 |
| Heavy | 0.79 ± 0.12 |