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. 2012 Mar 16;68(Pt 4):381–390. doi: 10.1107/S0907444911047834

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