1,4-Dihydropyridine Calcium Channel Blockers: Homology Modeling of the Receptor and Assessment of Structure Activity Relationship
Table 3
MolProbity assessment of DHP receptor model compared to the template.
Items
Model
Template
Comment
Favored
91.67
81.32
Percentage of residues with phi-psi angle combinations that lie in the favored regions of the Ramachandran plots
Allowed
7.9
17.1
Percentage of residues with phi-psi angle combinations that lie in the allowed regions of the Ramachandran plots (outside the favored regions but not in the disallowed regions)
Outliers
0.43
1.58
Percentage of residues with phi-psi angle combinations that lie in the disallowed regions of the Ramachandran plots; the actual number of outlier residues is shown in parentheses
Cβ
30.27
0
Number of residues with Cβ deviations ≥ 0.25
Bond length
0
0
Percentage of backbone bond lengths > 4 standard deviations from the accepted values
Bond angle
0.25
0
Percentage of backbone bond angles > 4 standard deviations from the accepted values
Clash-score
40.52
4.14
Number of atomic clashes per 1000 atoms
Percentile
8
96
Percentile rank compared to structures in the PDB within a similar resolution range
