Table I.
Summary of Conformational Constraints and Statistics for the 20 Lowest Energy Structures of the L3MBTL2 FCS Zinc Finger Domain
| Structural constraints | |
| Intraresidue | 283 |
| Sequential | 170 |
| Medium-range (1 < |i – j| < 5) | 87 |
| Long-range (|i – j| ≥ 5) | 203 |
| Chi-1 angle constraints | 11 |
| TALOS constraints | 62 |
| Hydrogen bond constraints | 18 |
| Zinc coordination constraints | 10 |
| RDC constraints | 33 |
| Total | 877 |
| Statistics for accepted structures | |
| Statistics parameter (±SD) | |
| RMS deviation for distance constraints | 0.0085 ± 0.0027 |
| RMS deviation for dihedral constraints | 0.1391 ± 0.1147 |
| Mean CNS energy term (kcal mol−1 ± SD) | |
| E (overall) | 53.35 ± 20.60 |
| E (van der Waals) | 14.06 ± 5.10 |
| E (NOE and hydrogen bond constraints) | 4.55 ± 0.42 |
| E (chi-1 dihedral and TALOS constraints) | 0.54 ± 1.06 |
| RMS deviations from the ideal geometry (±SD) | |
| Bond lengths | 0.0017 ± 0.00038 |
| Bond angles | 0.3601 ± 0.0465 |
| Improper angles | 0.3331 ± 0.0833 |
| Average atomic RMSD from the mean structure (±SD) | |
| Residues 86–121 (N, Ca, C atoms) | 0.423 ± 0.1627 |
| Residues 86–121 (all heavy atoms) | 0.950 ± 0.1286 |
| Structural quality (residues 86–121) | |
| Residues in most favored regions of Ramachandran plot | 83.1% |
| Residues in additional allowed regions of Ramachandran plot | 14.7% |
| Residues in generously allowed regions of Ramachandran plot | 1.6% |
| Residues in disallowed regions of Ramachandran plot | 0.6% |