5IQ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAB | CAF | sing | 1.41Å | 1.39Å | Aromatic |
CAB | CAA | doub | 1.42Å | 1.40Å | Aromatic |
CAB | CAE | sing | 1.41Å | 1.40Å | Aromatic |
CAF | CAK | doub | 1.36Å | 1.40Å | Aromatic |
CAF | HAF | sing | 1.08Å | 1.10Å | |
CAK | NAH | sing | 1.33Å | 1.33Å | Aromatic |
CAK | HAK | sing | 1.08Å | 1.10Å | |
NAH | CAD | doub | 1.31Å | 1.33Å | Aromatic |
CAD | CAA | sing | 1.40Å | 1.39Å | Aromatic |
CAD | HAD | sing | 1.08Å | 1.10Å | |
CAA | CAC | sing | 1.40Å | 1.39Å | Aromatic |
CAC | CAG | doub | 1.36Å | 1.39Å | Aromatic |
CAC | HAC | sing | 1.08Å | 1.10Å | |
CAG | CAI | sing | 1.39Å | 1.39Å | Aromatic |
CAG | HAG | sing | 1.08Å | 1.10Å | |
CAI | CAE | doub | 1.38Å | 1.39Å | Aromatic |
CAI | HAI | sing | 1.08Å | 1.10Å | |
CAE | NAJ | sing | 1.39Å | 1.33Å | |
NAJ | HAJ1 | sing | 0.97Å | 1.02Å | |
NAJ | HAJ2 | sing | 0.97Å | 1.02Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAF | CAB | CAA | 118.6° | 118.3° |
CAF | CAB | CAE | 121.4° | 122.2° |
CAB | CAF | CAK | 119.0° | 118.7° |
CAB | CAF | HAF | 120.4° | 120.7° |
CAA | CAB | CAE | 120.0° | 119.5° |
CAB | CAA | CAD | 119.3° | 118.5° |
CAB | CAA | CAC | 120.3° | 119.5° |
CAB | CAE | CAI | 119.4° | 119.2° |
CAB | CAE | NAJ | 121.0° | 120.4° |
CAK | CAF | HAF | 120.6° | 120.7° |
CAF | CAK | NAH | 120.8° | 121.8° |
CAF | CAK | HAK | 122.1° | 119.1° |
NAH | CAK | HAK | 117.1° | 119.0° |
CAK | NAH | CAD | 121.9° | 122.7° |
NAH | CAD | CAA | 120.4° | 119.9° |
NAH | CAD | HAD | 117.4° | 120.0° |
CAA | CAD | HAD | 122.2° | 120.1° |
CAD | CAA | CAC | 120.3° | 122.0° |
CAA | CAC | CAG | 119.7° | 119.9° |
CAA | CAC | HAC | 120.1° | 120.1° |
CAG | CAC | HAC | 120.2° | 120.1° |
CAC | CAG | CAI | 120.1° | 121.2° |
CAC | CAG | HAG | 120.0° | 119.5° |
CAI | CAG | HAG | 120.0° | 119.4° |
CAG | CAI | CAE | 120.5° | 120.8° |
CAG | CAI | HAI | 119.8° | 119.6° |
CAE | CAI | HAI | 119.7° | 119.6° |
CAI | CAE | NAJ | 119.5° | 120.4° |
CAE | NAJ | HAJ1 | 121.0° | 120.0° |
CAE | NAJ | HAJ2 | 108.1° | 120.0° |
HAJ1 | NAJ | HAJ2 | 108.1° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAF | CAB | CAA | CAE | 179.8° | 179.3° |
CAB | CAF | CAK | HAF | 180.0° | 179.8° |
CAB | CAF | CAK | NAH | 0.1° | 0.2° |
CAB | CAF | CAK | HAK | 179.8° | 179.8° |
CAF | CAB | CAA | CAD | 0.1° | 0.4° |
CAF | CAB | CAA | CAC | 180.0° | 179.8° |
CAF | CAB | CAE | CAI | 179.7° | 179.8° |
CAF | CAB | CAE | NAJ | 0.1° | 0.5° |
CAA | CAB | CAF | CAK | 0.0° | 0.4° |
CAA | CAB | CAF | HAF | 180.0° | 179.8° |
CAB | CAA | CAD | NAH | 0.1° | 0.3° |
CAB | CAA | CAD | CAC | 180.0° | 179.8° |
CAB | CAA | CAD | HAD | 180.0° | 179.8° |
CAB | CAA | CAC | CAG | 0.3° | 0.2° |
CAB | CAA | CAC | HAC | 179.7° | 179.8° |
CAA | CAB | CAE | CAI | 0.1° | 0.6° |
CAA | CAB | CAE | NAJ | 180.0° | 179.8° |
CAE | CAB | CAF | CAK | 179.9° | 179.6° |
CAE | CAB | CAF | HAF | 0.1° | 0.5° |
CAE | CAB | CAA | CAD | 179.8° | 179.7° |
CAE | CAB | CAA | CAC | 0.2° | 0.5° |
CAB | CAE | CAI | CAG | 0.3° | 0.3° |
CAB | CAE | CAI | NAJ | 179.9° | 179.7° |
CAB | CAE | CAI | HAI | 179.7° | 179.7° |
CAB | CAE | NAJ | HAJ1 | 180.0° | 179.6° |
CAB | CAE | NAJ | HAJ2 | 54.7° | 0.6° |
CAF | CAK | NAH | HAK | 180.0° | 180.0° |
CAF | CAK | NAH | CAD | 0.1° | 0.0° |
HAF | CAF | CAK | NAH | 179.9° | 180.0° |
HAF | CAF | CAK | HAK | 0.1° | 0.0° |
CAK | NAH | CAD | CAA | 0.0° | 0.1° |
CAK | NAH | CAD | HAD | 179.9° | 179.9° |
HAK | CAK | NAH | CAD | 179.9° | 179.9° |
NAH | CAD | CAA | HAD | 179.9° | 179.9° |
NAH | CAD | CAA | CAC | 180.0° | 179.9° |
CAD | CAA | CAC | CAG | 179.7° | 180.0° |
CAD | CAA | CAC | HAC | 0.3° | 0.1° |
HAD | CAD | CAA | CAC | 0.0° | 0.1° |
CAA | CAC | CAG | HAC | 180.0° | 179.9° |
CAA | CAC | CAG | CAI | 0.0° | 0.0° |
CAA | CAC | CAG | HAG | 180.0° | 179.9° |
CAC | CAG | CAI | HAG | 180.0° | 179.9° |
CAC | CAG | CAI | CAE | 0.3° | 0.0° |
CAC | CAG | CAI | HAI | 179.8° | 180.0° |
HAC | CAC | CAG | CAI | 179.9° | 179.9° |
HAC | CAC | CAG | HAG | 0.1° | 0.0° |
CAG | CAI | CAE | HAI | 180.0° | 180.0° |
CAG | CAI | CAE | NAJ | 179.8° | 180.0° |
HAG | CAG | CAI | CAE | 179.7° | 179.9° |
HAG | CAG | CAI | HAI | 0.2° | 0.1° |
CAI | CAE | NAJ | HAJ1 | 0.2° | 0.0° |
CAI | CAE | NAJ | HAJ2 | 125.2° | 179.8° |
HAI | CAI | CAE | NAJ | 0.2° | 0.0° |
CAE | NAJ | HAJ1 | HAJ2 | 125.3° | 179.8° |