3VQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAB | CAK | doub | 1.22Å | 1.24Å | |
| NAA | CAK | sing | 1.35Å | 1.34Å | |
| CAK | CAM | sing | 1.47Å | 1.36Å | |
| CAM | CAG | doub | 1.37Å | 1.35Å | Aromatic |
| CAM | SAJ | sing | 1.76Å | 1.73Å | Aromatic |
| CAG | CAH | sing | 1.37Å | 1.36Å | Aromatic |
| SAJ | CAN | sing | 1.76Å | 1.60Å | Aromatic |
| CAH | CAN | doub | 1.36Å | 1.35Å | Aromatic |
| CAN | CAL | sing | 1.48Å | 1.33Å | |
| CAL | NAI | doub | 1.33Å | 1.35Å | Aromatic |
| CAL | CAF | sing | 1.40Å | 1.39Å | Aromatic |
| NAI | CAE | sing | 1.32Å | 1.40Å | Aromatic |
| CAF | CAD | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAD | CAC | sing | 1.39Å | 1.39Å | Aromatic |
| CAF | H1 | sing | 1.08Å | 1.08Å | |
| CAD | H2 | sing | 1.08Å | 1.08Å | |
| CAC | H3 | sing | 1.08Å | 1.08Å | |
| CAE | H4 | sing | 1.08Å | 1.08Å | |
| CAH | H5 | sing | 1.08Å | 1.08Å | |
| CAG | H6 | sing | 1.08Å | 1.08Å | |
| NAA | H7 | sing | 0.97Å | 1.00Å | |
| NAA | H8 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAB | CAK | NAA | 122.3° | 120.0° |
| OAB | CAK | CAM | 121.2° | 120.0° |
| NAA | CAK | CAM | 116.4° | 120.0° |
| CAK | NAA | H7 | 120.0° | 120.0° |
| CAK | NAA | H8 | 120.0° | 119.9° |
| CAK | CAM | CAG | 125.6° | 125.2° |
| CAK | CAM | SAJ | 127.5° | 125.2° |
| CAG | CAM | SAJ | 106.9° | 109.6° |
| CAM | CAG | CAH | 114.0° | 114.7° |
| CAM | CAG | H6 | 123.0° | 122.7° |
| CAM | SAJ | CAN | 94.7° | 91.2° |
| CAG | CAH | CAN | 113.8° | 114.8° |
| CAG | CAH | H5 | 123.1° | 122.6° |
| CAH | CAG | H6 | 123.0° | 122.6° |
| SAJ | CAN | CAH | 110.6° | 109.7° |
| SAJ | CAN | CAL | 122.0° | 125.1° |
| CAH | CAN | CAL | 127.4° | 125.1° |
| CAN | CAH | H5 | 123.1° | 122.6° |
| CAN | CAL | NAI | 118.5° | 119.8° |
| CAN | CAL | CAF | 120.4° | 119.8° |
| NAI | CAL | CAF | 121.1° | 120.5° |
| CAL | NAI | CAE | 121.1° | 121.6° |
| CAL | CAF | CAD | 119.0° | 119.1° |
| CAL | CAF | H1 | 120.5° | 120.4° |
| NAI | CAE | CAC | 118.4° | 120.9° |
| NAI | CAE | H4 | 120.8° | 119.5° |
| CAF | CAD | CAC | 119.9° | 118.5° |
| CAD | CAF | H1 | 120.5° | 120.5° |
| CAF | CAD | H2 | 120.1° | 120.8° |
| CAE | CAC | CAD | 120.5° | 119.4° |
| CAE | CAC | H3 | 119.7° | 120.3° |
| CAC | CAE | H4 | 120.8° | 119.6° |
| CAC | CAD | H2 | 120.1° | 120.7° |
| CAD | CAC | H3 | 119.8° | 120.4° |
| H7 | NAA | H8 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAB | CAK | NAA | CAM | 176.6° | 179.9° |
| OAB | CAK | CAM | CAG | 0.9° | 0.1° |
| OAB | CAK | CAM | SAJ | 176.9° | 179.9° |
| OAB | CAK | NAA | H7 | 0.0° | 180.0° |
| OAB | CAK | NAA | H8 | 180.0° | 0.0° |
| NAA | CAK | CAM | CAG | 177.6° | 180.0° |
| NAA | CAK | CAM | SAJ | 0.2° | 0.0° |
| CAK | NAA | H7 | H8 | 180.0° | 180.0° |
| CAK | CAM | CAG | SAJ | 178.2° | 180.0° |
| CAK | CAM | CAG | CAH | 178.7° | 179.9° |
| CAK | CAM | SAJ | CAN | 178.9° | 179.8° |
| CAK | CAM | CAG | H6 | 1.3° | 0.2° |
| CAM | CAK | NAA | H7 | 176.6° | 0.0° |
| CAM | CAK | NAA | H8 | 3.3° | 180.0° |
| CAM | CAG | CAH | H6 | 180.0° | 179.9° |
| CAG | CAM | SAJ | CAN | 0.8° | 0.2° |
| CAM | CAG | CAH | CAN | 0.0° | 0.1° |
| CAM | CAG | CAH | H5 | 180.0° | 179.9° |
| SAJ | CAM | CAG | CAH | 0.6° | 0.1° |
| CAM | SAJ | CAN | CAH | 0.8° | 0.3° |
| CAM | SAJ | CAN | CAL | 179.6° | 180.0° |
| SAJ | CAM | CAG | H6 | 179.4° | 179.8° |
| CAG | CAH | CAN | SAJ | 0.6° | 0.3° |
| CAG | CAH | CAN | H5 | 180.0° | 180.0° |
| CAG | CAH | CAN | CAL | 179.4° | 180.0° |
| SAJ | CAN | CAH | CAL | 178.7° | 179.7° |
| SAJ | CAN | CAL | NAI | 2.6° | 180.0° |
| SAJ | CAN | CAL | CAF | 177.6° | 0.6° |
| SAJ | CAN | CAH | H5 | 179.4° | 179.7° |
| CAH | CAN | CAL | NAI | 178.9° | 0.3° |
| CAH | CAN | CAL | CAF | 0.9° | 179.1° |
| CAN | CAH | CAG | H6 | 180.0° | 180.0° |
| CAN | CAL | NAI | CAF | 179.8° | 179.4° |
| CAN | CAL | NAI | CAE | 179.9° | 180.0° |
| CAN | CAL | CAF | CAD | 180.0° | 180.0° |
| CAN | CAL | CAF | H1 | 0.0° | 0.2° |
| CAL | CAN | CAH | H5 | 0.6° | 0.0° |
| NAI | CAL | CAF | CAD | 0.2° | 0.6° |
| CAL | NAI | CAE | CAC | 0.0° | 0.3° |
| NAI | CAL | CAF | H1 | 179.8° | 179.6° |
| CAL | NAI | CAE | H4 | 180.0° | 179.7° |
| CAF | CAL | NAI | CAE | 0.1° | 0.6° |
| CAL | CAF | CAD | H1 | 180.0° | 179.8° |
| CAL | CAF | CAD | CAC | 0.3° | 0.2° |
| CAL | CAF | CAD | H2 | 179.7° | 179.7° |
| NAI | CAE | CAC | H4 | 180.0° | 180.0° |
| NAI | CAE | CAC | CAD | 0.2° | 0.0° |
| NAI | CAE | CAC | H3 | 179.8° | 180.0° |
| CAF | CAD | CAC | CAE | 0.3° | 0.0° |
| CAF | CAD | CAC | H2 | 180.0° | 180.0° |
| CAF | CAD | CAC | H3 | 179.7° | 180.0° |
| CAE | CAC | CAD | H3 | 180.0° | 180.0° |
| CAE | CAC | CAD | H2 | 179.7° | 180.0° |
| CAC | CAD | CAF | H1 | 179.7° | 180.0° |
| CAD | CAC | CAE | H4 | 179.9° | 180.0° |
| H1 | CAF | CAD | H2 | 0.3° | 0.1° |
| H2 | CAD | CAC | H3 | 0.3° | 0.0° |
| H3 | CAC | CAE | H4 | 0.1° | 0.0° |
| H5 | CAH | CAG | H6 | 0.0° | 0.0° |
