3QU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | NAP | doub | 1.22Å | 1.23Å | |
| CAC | NAL | sing | 1.32Å | 1.33Å | Aromatic |
| CAD | NAL | doub | 1.32Å | 1.34Å | Aromatic |
| CAE | CAC | doub | 1.38Å | 1.37Å | Aromatic |
| CAF | CAD | sing | 1.38Å | 1.38Å | Aromatic |
| CAH | CAN | doub | 1.38Å | 1.36Å | Aromatic |
| CAI | CAG | doub | 1.38Å | 1.38Å | Aromatic |
| CAJ | CAH | sing | 1.38Å | 1.37Å | Aromatic |
| CAJ | CAO | doub | 1.38Å | 1.38Å | Aromatic |
| CAK | CAM | sing | 1.51Å | 1.50Å | |
| CAM | CAE | sing | 1.39Å | 1.37Å | Aromatic |
| CAM | CAF | doub | 1.39Å | 1.39Å | Aromatic |
| CAN | CAG | sing | 1.38Å | 1.38Å | Aromatic |
| CAN | CAK | sing | 1.51Å | 1.49Å | |
| CAO | CAI | sing | 1.38Å | 1.38Å | Aromatic |
| NAP | OAB | sing | 1.22Å | 1.24Å | |
| NAP | CAO | sing | 1.48Å | 1.39Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAK | HAKA | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | NAP | OAB | 122.7° | 120.0° |
| OAA | NAP | CAO | 118.6° | 120.0° |
| CAC | NAL | CAD | 121.2° | 121.8° |
| NAL | CAC | CAE | 121.5° | 120.7° |
| NAL | CAC | HAC | 119.3° | 119.6° |
| NAL | CAD | CAF | 120.5° | 120.8° |
| NAL | CAD | HAD | 119.8° | 119.6° |
| CAC | CAE | CAM | 117.9° | 119.2° |
| CAE | CAC | HAC | 119.2° | 119.6° |
| CAC | CAE | HAE | 121.1° | 120.3° |
| CAD | CAF | CAM | 117.8° | 119.1° |
| CAF | CAD | HAD | 119.8° | 119.6° |
| CAD | CAF | HAF | 121.1° | 120.5° |
| CAN | CAH | CAJ | 117.7° | 120.0° |
| CAH | CAN | CAG | 122.1° | 120.0° |
| CAH | CAN | CAK | 115.6° | 120.0° |
| CAN | CAH | HAH | 121.2° | 120.0° |
| CAI | CAG | CAN | 121.0° | 120.0° |
| CAG | CAI | CAO | 116.6° | 120.0° |
| CAI | CAG | HAG | 119.5° | 120.0° |
| CAG | CAI | HAI | 121.7° | 120.0° |
| CAH | CAJ | CAO | 120.4° | 120.0° |
| CAJ | CAH | HAH | 121.2° | 120.0° |
| CAH | CAJ | HAJ | 119.8° | 120.0° |
| CAJ | CAO | CAI | 122.2° | 120.0° |
| CAJ | CAO | NAP | 116.4° | 120.0° |
| CAO | CAJ | HAJ | 119.8° | 120.0° |
| CAK | CAM | CAE | 119.3° | 120.8° |
| CAK | CAM | CAF | 119.4° | 120.8° |
| CAM | CAK | CAN | 112.3° | 109.5° |
| CAM | CAK | HAK | 108.6° | 109.5° |
| CAM | CAK | HAKA | 108.5° | 109.5° |
| CAE | CAM | CAF | 121.2° | 118.4° |
| CAM | CAE | HAE | 121.1° | 120.5° |
| CAM | CAF | HAF | 121.1° | 120.4° |
| CAG | CAN | CAK | 122.3° | 120.0° |
| CAN | CAG | HAG | 119.5° | 120.0° |
| CAN | CAK | HAK | 108.5° | 109.4° |
| CAN | CAK | HAKA | 108.5° | 109.4° |
| CAI | CAO | NAP | 121.4° | 120.0° |
| CAO | CAI | HAI | 121.7° | 120.0° |
| OAB | NAP | CAO | 118.7° | 120.0° |
| HAK | CAK | HAKA | 110.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | NAP | CAO | CAJ | 18.3° | 0.1° |
| OAA | NAP | CAO | CAI | 161.3° | 179.8° |
| OAA | NAP | OAB | CAO | 178.6° | 179.9° |
| NAL | CAC | CAE | HAC | 180.0° | 179.8° |
| CAC | NAL | CAD | CAF | 0.1° | 0.5° |
| NAL | CAC | CAE | CAM | 0.2° | 0.1° |
| CAC | NAL | CAD | HAD | 180.0° | 180.0° |
| NAL | CAC | CAE | HAE | 179.8° | 180.0° |
| CAD | NAL | CAC | CAE | 0.2° | 0.2° |
| NAL | CAD | CAF | HAD | 180.0° | 179.5° |
| NAL | CAD | CAF | CAM | 0.2° | 0.5° |
| CAD | NAL | CAC | HAC | 179.8° | 180.0° |
| NAL | CAD | CAF | HAF | 179.8° | 180.0° |
| CAC | CAE | CAM | CAK | 179.6° | 180.0° |
| CAC | CAE | CAM | HAE | 180.0° | 180.0° |
| CAC | CAE | CAM | CAF | 0.1° | 0.0° |
| CAD | CAF | CAM | CAK | 179.8° | 179.7° |
| CAD | CAF | CAM | CAE | 0.2° | 0.3° |
| CAD | CAF | CAM | HAF | 180.0° | 179.5° |
| CAH | CAN | CAG | CAI | 0.6° | 0.3° |
| CAN | CAH | CAJ | HAH | 180.0° | 179.9° |
| CAN | CAH | CAJ | CAO | 0.5° | 0.3° |
| CAH | CAN | CAK | CAM | 111.4° | 90.0° |
| CAH | CAN | CAG | CAK | 178.8° | 180.0° |
| CAH | CAN | CAG | HAG | 179.4° | 180.0° |
| CAN | CAH | CAJ | HAJ | 179.5° | 180.0° |
| CAH | CAN | CAK | HAK | 8.6° | 30.0° |
| CAH | CAN | CAK | HAKA | 128.6° | 150.0° |
| CAG | CAI | CAO | CAJ | 0.1° | 0.0° |
| CAI | CAG | CAN | HAG | 180.0° | 179.7° |
| CAI | CAG | CAN | CAK | 179.4° | 179.7° |
| CAG | CAI | CAO | HAI | 180.0° | 180.0° |
| CAG | CAI | CAO | NAP | 179.7° | 179.7° |
| CAH | CAJ | CAO | HAJ | 180.0° | 179.7° |
| CAJ | CAH | CAN | CAG | 0.8° | 0.0° |
| CAJ | CAH | CAN | CAK | 179.7° | 180.0° |
| CAH | CAJ | CAO | CAI | 0.1° | 0.3° |
| CAH | CAJ | CAO | NAP | 179.5° | 180.0° |
| CAJ | CAO | CAI | NAP | 179.6° | 179.7° |
| CAJ | CAO | NAP | OAB | 160.3° | 180.0° |
| CAO | CAJ | CAH | HAH | 179.5° | 179.7° |
| CAJ | CAO | CAI | HAI | 179.9° | 180.0° |
| CAK | CAM | CAE | CAF | 179.7° | 180.0° |
| CAM | CAK | CAN | CAG | 69.7° | 90.0° |
| CAM | CAK | CAN | HAK | 120.0° | 120.0° |
| CAM | CAK | CAN | HAKA | 120.0° | 120.0° |
| CAK | CAM | CAE | HAE | 0.4° | 0.0° |
| CAK | CAM | CAF | HAF | 0.2° | 0.3° |
| CAM | CAK | HAK | HAKA | 118.9° | 120.0° |
| CAE | CAM | CAK | CAN | 70.9° | 90.0° |
| CAM | CAE | CAC | HAC | 179.8° | 179.7° |
| CAE | CAM | CAF | HAF | 179.8° | 179.7° |
| CAE | CAM | CAK | HAK | 49.1° | 150.0° |
| CAE | CAM | CAK | HAKA | 169.1° | 30.0° |
| CAF | CAM | CAK | CAN | 109.4° | 90.0° |
| CAM | CAF | CAD | HAD | 179.8° | 180.0° |
| CAF | CAM | CAE | HAE | 180.0° | 180.0° |
| CAF | CAM | CAK | HAK | 130.6° | 30.0° |
| CAF | CAM | CAK | HAKA | 10.6° | 150.0° |
| CAN | CAG | CAI | CAO | 0.1° | 0.3° |
| CAG | CAN | CAH | HAH | 179.2° | 179.9° |
| CAN | CAG | CAI | HAI | 179.8° | 179.7° |
| CAG | CAN | CAK | HAK | 170.3° | 150.0° |
| CAG | CAN | CAK | HAKA | 50.3° | 30.0° |
| CAK | CAN | CAG | HAG | 0.6° | 0.0° |
| CAK | CAN | CAH | HAH | 0.3° | 0.1° |
| CAN | CAK | HAK | HAKA | 118.8° | 120.0° |
| CAI | CAO | NAP | OAB | 20.1° | 0.3° |
| CAO | CAI | CAG | HAG | 179.9° | 180.0° |
| CAI | CAO | CAJ | HAJ | 179.9° | 180.0° |
| NAP | CAO | CAI | HAI | 0.3° | 0.3° |
| NAP | CAO | CAJ | HAJ | 0.5° | 0.3° |
| HAC | CAC | CAE | HAE | 0.2° | 0.2° |
| HAD | CAD | CAF | HAF | 0.2° | 0.5° |
| HAG | CAG | CAI | HAI | 0.1° | 0.0° |
| HAH | CAH | CAJ | HAJ | 0.5° | 0.1° |
