Table 3. Summary of reference-model restraint refinement for related cyclic GMP-dependent kinases originally described in Kim et al. (2011 ▶).
| Validation criteria | cAMP-bound (2.49) | cGMP-bound (3.2) | cGMP-bound with reference (3.2) | Apo (2.75) | Apo with reference (2.75) | |
|---|---|---|---|---|---|---|
| All-atom contacts | Clashscore, all atoms | 16.53 | 56.57 | 25.79 | 28.52 | 22.51 |
| Clashscore percentile | 81st | 15th | 87th | 46th | 80th | |
| Protein geometry | Poor rotamers (%) | 2.61 | 18.58 | 4.00 | 10.53 | 3.89 |
| Ramachandran outliers (%) | 0.00 | 2.02 | 0.40 | 3.19 | 0.60 | |
| Ramachandran favored (%) | 98.80 | 85.48 | 96.40 | 89.02 | 96.61 | |
| C deviation > 0.25 | 0 | 23 | 0 | 3 | 0 | |
| MolProbity score | 2.04 | 3.84 | 2.60 | 3.29 | 2.51 | |
| MolProbity score percentile | 95th | 12th | 96th | 12th | 86th | |
| Residues with bad bonds (%) | 0.00 | 2.38 | 0.00 | 0.79 | 0.00 | |
| Residues with bad angles (%) | 0.00 | 5.95 | 1.18 | 0.98 | 0.39 | |
| Residuals | R work | 0.1960 | 0.2102 | 0.1985 | 0.2205 | 0.2167 |
| R free | 0.2264 | 0.2582 | 0.2389 | 0.2612 | 0.2543 |