VU3
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAW | CAO | sing | 1.51Å | 1.52Å | |
CAW | CAP | sing | 1.53Å | 1.54Å | |
CAO | NAQ | sing | 1.37Å | 1.36Å | Aromatic |
CAO | C17 | doub | 1.34Å | 1.39Å | Aromatic |
NAQ | CAX | sing | 1.38Å | 1.35Å | Aromatic |
CAX | CAN | sing | 1.39Å | 1.40Å | Aromatic |
CAX | CAM | doub | 1.41Å | 1.38Å | Aromatic |
CAN | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
CAJ | CAF | sing | 1.39Å | 1.40Å | Aromatic |
CAF | CAI | doub | 1.37Å | 1.40Å | Aromatic |
CAI | CAM | sing | 1.40Å | 1.40Å | Aromatic |
CAM | C17 | sing | 1.46Å | 1.43Å | Aromatic |
CAP | N1 | sing | 1.47Å | 1.48Å | |
CAV | CAD | sing | 1.38Å | 1.40Å | Aromatic |
CAV | CAU | doub | 1.38Å | 1.40Å | Aromatic |
CAD | CAC | doub | 1.38Å | 1.39Å | Aromatic |
CAC | CAR | sing | 1.38Å | 1.39Å | Aromatic |
CAR | CAE | doub | 1.38Å | 1.40Å | Aromatic |
CAE | CAU | sing | 1.38Å | 1.40Å | Aromatic |
CAU | CAS | sing | 1.51Å | 1.49Å | |
CAS | CAT | sing | 1.53Å | 1.53Å | |
CAS | CAK | sing | 1.53Å | 1.53Å | |
CAT | CAL | sing | 1.53Å | 1.52Å | |
CAK | CAG | sing | 1.53Å | 1.53Å | |
CAG | N1 | sing | 1.47Å | 1.48Å | |
CAL | N1 | sing | 1.47Å | 1.47Å | |
CAW | HAW1 | sing | 1.09Å | 1.10Å | |
CAW | HAW2 | sing | 1.09Å | 1.10Å | |
CAP | HAP1 | sing | 1.09Å | 1.10Å | |
CAP | HAP2 | sing | 1.09Å | 1.10Å | |
NAQ | HAQ | sing | 0.97Å | 1.00Å | |
C17 | H17 | sing | 1.08Å | 1.08Å | |
CAN | HAN | sing | 1.08Å | 1.08Å | |
CAJ | HAJ | sing | 1.08Å | 1.08Å | |
CAF | HAF | sing | 1.08Å | 1.08Å | |
CAI | HAI | sing | 1.08Å | 1.08Å | |
CAV | HAV | sing | 1.08Å | 1.08Å | |
CAD | HAD | sing | 1.08Å | 1.08Å | |
CAC | HAC | sing | 1.08Å | 1.08Å | |
CAR | HAR | sing | 1.08Å | 1.08Å | |
CAE | HAE | sing | 1.08Å | 1.08Å | |
CAS | HAS | sing | 1.09Å | 1.10Å | |
CAT | HAT1 | sing | 1.09Å | 1.10Å | |
CAT | HAT2 | sing | 1.09Å | 1.10Å | |
CAK | HAK1 | sing | 1.09Å | 1.10Å | |
CAK | HAK2 | sing | 1.09Å | 1.10Å | |
CAL | HAL1 | sing | 1.09Å | 1.10Å | |
CAL | HAL2 | sing | 1.09Å | 1.10Å | |
CAG | HAG1 | sing | 1.09Å | 1.10Å | |
CAG | HAG2 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAO | CAW | CAP | 110.1° | 109.5° |
CAW | CAO | NAQ | 125.0° | 125.0° |
CAW | CAO | C17 | 125.1° | 125.1° |
CAO | CAW | HAW1 | 109.2° | 109.4° |
CAO | CAW | HAW2 | 109.1° | 109.5° |
CAW | CAP | N1 | 109.7° | 109.5° |
CAP | CAW | HAW1 | 109.3° | 109.5° |
CAP | CAW | HAW2 | 109.1° | 109.6° |
CAW | CAP | HAP1 | 109.4° | 109.5° |
CAW | CAP | HAP2 | 109.3° | 109.5° |
NAQ | CAO | C17 | 109.7° | 109.9° |
CAO | NAQ | CAX | 111.4° | 109.9° |
CAO | NAQ | HAQ | 124.3° | 125.1° |
CAO | C17 | CAM | 102.6° | 107.0° |
CAO | C17 | H17 | 128.7° | 126.5° |
NAQ | CAX | CAN | 134.5° | 133.5° |
NAQ | CAX | CAM | 104.9° | 107.1° |
CAX | NAQ | HAQ | 124.3° | 125.0° |
CAN | CAX | CAM | 120.6° | 119.3° |
CAX | CAN | CAJ | 119.4° | 119.8° |
CAX | CAN | HAN | 120.3° | 120.1° |
CAX | CAM | CAI | 120.4° | 119.9° |
CAX | CAM | C17 | 111.4° | 106.1° |
CAN | CAJ | CAF | 120.1° | 120.7° |
CAJ | CAN | HAN | 120.3° | 120.1° |
CAN | CAJ | HAJ | 120.0° | 119.7° |
CAJ | CAF | CAI | 120.0° | 120.5° |
CAF | CAJ | HAJ | 119.9° | 119.7° |
CAJ | CAF | HAF | 120.0° | 119.8° |
CAF | CAI | CAM | 119.5° | 119.8° |
CAI | CAF | HAF | 120.0° | 119.7° |
CAF | CAI | HAI | 120.3° | 120.1° |
CAI | CAM | C17 | 128.2° | 134.1° |
CAM | CAI | HAI | 120.2° | 120.1° |
CAM | C17 | H17 | 128.7° | 126.5° |
CAP | N1 | CAG | 116.4° | 111.0° |
CAP | N1 | CAL | 112.2° | 111.0° |
N1 | CAP | HAP1 | 109.4° | 109.5° |
N1 | CAP | HAP2 | 109.3° | 109.5° |
CAD | CAV | CAU | 120.1° | 120.0° |
CAV | CAD | CAC | 120.5° | 120.0° |
CAD | CAV | HAV | 120.0° | 120.0° |
CAV | CAD | HAD | 119.8° | 120.0° |
CAV | CAU | CAE | 119.2° | 120.0° |
CAV | CAU | CAS | 119.8° | 120.1° |
CAU | CAV | HAV | 120.0° | 120.0° |
CAD | CAC | CAR | 119.7° | 120.0° |
CAC | CAD | HAD | 119.8° | 120.0° |
CAD | CAC | HAC | 120.1° | 120.0° |
CAC | CAR | CAE | 119.8° | 120.0° |
CAR | CAC | HAC | 120.2° | 120.0° |
CAC | CAR | HAR | 120.1° | 120.0° |
CAR | CAE | CAU | 120.6° | 120.0° |
CAE | CAR | HAR | 120.1° | 119.9° |
CAR | CAE | HAE | 119.7° | 120.0° |
CAE | CAU | CAS | 120.8° | 120.0° |
CAU | CAE | HAE | 119.7° | 120.0° |
CAU | CAS | CAT | 112.0° | 109.5° |
CAU | CAS | CAK | 114.5° | 109.6° |
CAU | CAS | HAS | 105.5° | 109.5° |
CAT | CAS | CAK | 113.3° | 109.1° |
CAS | CAT | CAL | 110.9° | 109.3° |
CAT | CAS | HAS | 106.8° | 109.5° |
CAS | CAT | HAT1 | 109.0° | 109.5° |
CAS | CAT | HAT2 | 108.7° | 109.5° |
CAS | CAK | CAG | 111.8° | 109.3° |
CAK | CAS | HAS | 103.9° | 109.5° |
CAS | CAK | HAK1 | 108.7° | 109.4° |
CAS | CAK | HAK2 | 108.2° | 109.5° |
CAT | CAL | N1 | 106.3° | 109.5° |
CAL | CAT | HAT1 | 109.0° | 109.5° |
CAL | CAT | HAT2 | 108.7° | 109.5° |
CAT | CAL | HAL1 | 110.5° | 109.5° |
CAT | CAL | HAL2 | 111.2° | 109.5° |
CAK | CAG | N1 | 107.9° | 109.5° |
CAG | CAK | HAK1 | 108.7° | 109.5° |
CAG | CAK | HAK2 | 108.2° | 109.6° |
CAK | CAG | HAG1 | 110.0° | 109.5° |
CAK | CAG | HAG2 | 110.4° | 109.4° |
CAG | N1 | CAL | 110.5° | 111.2° |
N1 | CAG | HAG1 | 110.0° | 109.4° |
N1 | CAG | HAG2 | 110.4° | 109.5° |
N1 | CAL | HAL1 | 110.6° | 109.4° |
N1 | CAL | HAL2 | 111.3° | 109.4° |
HAW1 | CAW | HAW2 | 110.0° | 109.5° |
HAP1 | CAP | HAP2 | 109.7° | 109.5° |
HAT1 | CAT | HAT2 | 110.5° | 109.5° |
HAK1 | CAK | HAK2 | 111.3° | 109.5° |
HAL1 | CAL | HAL2 | 107.0° | 109.5° |
HAG1 | CAG | HAG2 | 108.2° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAO | CAW | CAP | HAW1 | 120.0° | 119.9° |
CAO | CAW | CAP | HAW2 | 119.7° | 120.0° |
CAW | CAO | NAQ | C17 | 174.7° | 179.8° |
CAW | CAO | NAQ | CAX | 176.5° | 180.0° |
CAW | CAO | C17 | CAM | 176.4° | 179.8° |
CAO | CAW | CAP | N1 | 22.5° | 180.0° |
CAO | CAW | HAW1 | HAW2 | 119.7° | 119.9° |
CAO | CAW | CAP | HAP1 | 97.5° | 60.1° |
CAO | CAW | CAP | HAP2 | 142.4° | 60.0° |
CAW | CAO | NAQ | HAQ | 3.5° | 0.1° |
CAW | CAO | C17 | H17 | 3.7° | 0.0° |
CAP | CAW | CAO | NAQ | 92.1° | 95.0° |
CAP | CAW | CAO | C17 | 81.8° | 85.3° |
CAW | CAP | N1 | HAP1 | 120.0° | 120.0° |
CAW | CAP | N1 | HAP2 | 119.9° | 120.0° |
CAW | CAP | N1 | CAG | 143.4° | 169.9° |
CAW | CAP | N1 | CAL | 87.9° | 65.8° |
CAP | CAW | HAW1 | HAW2 | 119.7° | 120.1° |
CAW | CAP | HAP1 | HAP2 | 119.9° | 120.0° |
CAO | NAQ | CAX | HAQ | 180.0° | 179.9° |
CAO | NAQ | CAX | CAN | 179.0° | 180.0° |
CAO | NAQ | CAX | CAM | 1.0° | 0.1° |
NAQ | CAO | C17 | CAM | 1.7° | 0.4° |
NAQ | CAO | CAW | HAW1 | 147.9° | 145.0° |
NAQ | CAO | CAW | HAW2 | 27.7° | 25.1° |
NAQ | CAO | C17 | H17 | 178.3° | 179.7° |
C17 | CAO | NAQ | CAX | 1.8° | 0.2° |
CAO | C17 | CAM | CAX | 1.1° | 0.4° |
CAO | C17 | CAM | CAI | 178.7° | 179.9° |
CAO | C17 | CAM | H17 | 180.0° | 179.8° |
C17 | CAO | CAW | HAW1 | 38.2° | 34.7° |
C17 | CAO | CAW | HAW2 | 158.5° | 154.6° |
C17 | CAO | NAQ | HAQ | 178.2° | 179.7° |
NAQ | CAX | CAN | CAM | 180.0° | 179.9° |
NAQ | CAX | CAN | CAJ | 179.5° | 180.0° |
NAQ | CAX | CAM | CAI | 179.8° | 180.0° |
NAQ | CAX | CAM | C17 | 0.1° | 0.3° |
NAQ | CAX | CAN | HAN | 0.5° | 0.1° |
CAX | CAN | CAJ | HAN | 180.0° | 180.0° |
CAX | CAN | CAJ | CAF | 0.8° | 0.1° |
CAN | CAX | CAM | CAI | 0.2° | 0.0° |
CAN | CAX | CAM | C17 | 179.9° | 179.8° |
CAN | CAX | NAQ | HAQ | 1.1° | 0.1° |
CAX | CAN | CAJ | HAJ | 179.2° | 180.0° |
CAM | CAX | CAN | CAJ | 0.5° | 0.1° |
CAX | CAM | CAI | CAF | 0.2° | 0.0° |
CAX | CAM | CAI | C17 | 179.8° | 179.6° |
CAM | CAX | NAQ | HAQ | 178.9° | 180.0° |
CAX | CAM | C17 | H17 | 178.9° | 179.7° |
CAM | CAX | CAN | HAN | 179.5° | 180.0° |
CAX | CAM | CAI | HAI | 179.8° | 180.0° |
CAN | CAJ | CAF | HAJ | 180.0° | 179.9° |
CAN | CAJ | CAF | CAI | 0.7° | 0.0° |
CAN | CAJ | CAF | HAF | 179.3° | 179.9° |
CAJ | CAF | CAI | HAF | 180.0° | 179.9° |
CAJ | CAF | CAI | CAM | 0.4° | 0.0° |
CAF | CAJ | CAN | HAN | 179.2° | 180.0° |
CAJ | CAF | CAI | HAI | 179.6° | 180.0° |
CAF | CAI | CAM | HAI | 180.0° | 180.0° |
CAF | CAI | CAM | C17 | 180.0° | 179.7° |
CAI | CAF | CAJ | HAJ | 179.3° | 180.0° |
CAI | CAM | C17 | H17 | 1.2° | 0.1° |
CAM | CAI | CAF | HAF | 179.6° | 179.9° |
C17 | CAM | CAI | HAI | 0.0° | 0.4° |
CAP | N1 | CAL | CAT | 157.7° | 174.1° |
CAP | N1 | CAG | CAK | 163.2° | 174.1° |
CAP | N1 | CAG | CAL | 129.5° | 124.1° |
N1 | CAP | CAW | HAW1 | 142.5° | 60.0° |
N1 | CAP | CAW | HAW2 | 97.2° | 60.0° |
N1 | CAP | HAP1 | HAP2 | 119.9° | 120.0° |
CAP | N1 | CAL | HAL1 | 37.7° | 54.1° |
CAP | N1 | CAL | HAL2 | 81.1° | 65.8° |
CAP | N1 | CAG | HAG1 | 76.9° | 65.9° |
CAP | N1 | CAG | HAG2 | 42.5° | 54.2° |
CAD | CAV | CAU | HAV | 180.0° | 179.8° |
CAV | CAD | CAC | HAD | 180.0° | 180.0° |
CAV | CAD | CAC | CAR | 2.1° | 0.0° |
CAD | CAV | CAU | CAE | 0.7° | 0.0° |
CAD | CAV | CAU | CAS | 176.0° | 180.0° |
CAV | CAD | CAC | HAC | 177.9° | 180.0° |
CAU | CAV | CAD | CAC | 1.4° | 0.0° |
CAV | CAU | CAE | CAR | 2.2° | 0.0° |
CAV | CAU | CAE | CAS | 175.3° | 180.0° |
CAV | CAU | CAS | CAT | 179.3° | 120.0° |
CAV | CAU | CAS | CAK | 48.6° | 120.3° |
CAU | CAV | CAD | HAD | 178.5° | 180.0° |
CAV | CAU | CAE | HAE | 177.8° | 180.0° |
CAV | CAU | CAS | HAS | 64.9° | 0.2° |
CAD | CAC | CAR | HAC | 180.0° | 180.0° |
CAD | CAC | CAR | CAE | 0.6° | 0.1° |
CAC | CAD | CAV | HAV | 178.6° | 179.8° |
CAD | CAC | CAR | HAR | 179.4° | 180.0° |
CAC | CAR | CAE | HAR | 180.0° | 179.9° |
CAC | CAR | CAE | CAU | 1.5° | 0.0° |
CAR | CAC | CAD | HAD | 177.9° | 180.0° |
CAC | CAR | CAE | HAE | 178.5° | 179.9° |
CAR | CAE | CAU | HAE | 180.0° | 180.0° |
CAR | CAE | CAU | CAS | 177.4° | 180.0° |
CAE | CAR | CAC | HAC | 179.4° | 180.0° |
CAE | CAU | CAS | CAT | 5.5° | 60.0° |
CAE | CAU | CAS | CAK | 136.2° | 59.7° |
CAE | CAU | CAV | HAV | 179.3° | 179.8° |
CAU | CAE | CAR | HAR | 178.4° | 180.0° |
CAE | CAU | CAS | HAS | 110.3° | 179.9° |
CAU | CAS | CAT | CAK | 131.3° | 120.0° |
CAU | CAS | CAT | HAS | 115.0° | 120.1° |
CAU | CAS | CAK | HAS | 114.4° | 120.2° |
CAU | CAS | CAT | CAL | 179.8° | 177.6° |
CAU | CAS | CAK | CAG | 175.1° | 177.6° |
CAS | CAU | CAV | HAV | 4.0° | 0.2° |
CAS | CAU | CAE | HAE | 2.5° | 0.1° |
CAU | CAS | CAT | HAT1 | 59.8° | 57.7° |
CAU | CAS | CAT | HAT2 | 60.8° | 62.4° |
CAU | CAS | CAK | HAK1 | 64.9° | 62.5° |
CAU | CAS | CAK | HAK2 | 56.1° | 57.6° |
CAT | CAS | CAK | HAS | 115.5° | 119.9° |
CAS | CAT | CAL | HAT1 | 120.0° | 119.9° |
CAS | CAT | CAL | HAT2 | 119.4° | 120.0° |
CAT | CAS | CAK | CAG | 45.1° | 57.7° |
CAS | CAT | CAL | N1 | 59.1° | 59.1° |
CAS | CAT | HAT1 | HAT2 | 119.4° | 120.1° |
CAT | CAS | CAK | HAK1 | 165.1° | 177.6° |
CAT | CAS | CAK | HAK2 | 73.9° | 62.4° |
CAS | CAT | CAL | HAL1 | 179.2° | 179.1° |
CAS | CAT | CAL | HAL2 | 62.1° | 60.8° |
CAK | CAS | CAT | CAL | 48.5° | 57.6° |
CAS | CAK | CAG | HAK1 | 120.0° | 119.9° |
CAS | CAK | CAG | HAK2 | 119.0° | 120.0° |
CAS | CAK | CAG | N1 | 52.5° | 59.2° |
CAK | CAS | CAT | HAT1 | 71.5° | 62.3° |
CAK | CAS | CAT | HAT2 | 167.9° | 177.6° |
CAS | CAK | HAK1 | HAK2 | 119.0° | 120.0° |
CAS | CAK | CAG | HAG1 | 67.5° | 60.8° |
CAS | CAK | CAG | HAG2 | 173.2° | 179.2° |
CAT | CAL | N1 | CAG | 70.6° | 61.7° |
CAT | CAL | N1 | HAL1 | 120.0° | 120.0° |
CAT | CAL | N1 | HAL2 | 121.2° | 120.0° |
CAL | CAT | CAS | HAS | 65.3° | 62.3° |
CAL | CAT | HAT1 | HAT2 | 119.4° | 120.1° |
CAT | CAL | HAL1 | HAL2 | 121.3° | 120.1° |
CAK | CAG | N1 | HAG1 | 120.0° | 120.0° |
CAK | CAG | N1 | HAG2 | 120.7° | 120.0° |
CAK | CAG | N1 | CAL | 67.3° | 61.7° |
CAG | CAK | CAS | HAS | 70.4° | 62.2° |
CAG | CAK | HAK1 | HAK2 | 119.0° | 120.2° |
CAK | CAG | HAG1 | HAG2 | 120.7° | 120.0° |
CAG | N1 | CAP | HAP1 | 23.4° | 50.0° |
CAG | N1 | CAP | HAP2 | 96.7° | 70.0° |
N1 | CAG | CAK | HAK1 | 172.5° | 179.0° |
N1 | CAG | CAK | HAK2 | 66.5° | 60.8° |
CAG | N1 | CAL | HAL1 | 169.4° | 178.2° |
CAG | N1 | CAL | HAL2 | 50.7° | 58.3° |
N1 | CAG | HAG1 | HAG2 | 120.6° | 120.0° |
CAL | N1 | CAP | HAP1 | 152.1° | 174.2° |
CAL | N1 | CAP | HAP2 | 32.0° | 54.2° |
N1 | CAL | CAT | HAT1 | 60.9° | 60.8° |
N1 | CAL | CAT | HAT2 | 178.6° | 179.1° |
N1 | CAL | HAL1 | HAL2 | 121.3° | 119.9° |
CAL | N1 | CAG | HAG1 | 52.7° | 58.2° |
CAL | N1 | CAG | HAG2 | 172.0° | 178.3° |
HAW1 | CAW | CAP | HAP1 | 22.5° | 180.0° |
HAW1 | CAW | CAP | HAP2 | 97.6° | 60.0° |
HAW2 | CAW | CAP | HAP1 | 142.8° | 60.0° |
HAW2 | CAW | CAP | HAP2 | 22.6° | 180.0° |
HAN | CAN | CAJ | HAJ | 0.8° | 0.1° |
HAJ | CAJ | CAF | HAF | 0.8° | 0.1° |
HAF | CAF | CAI | HAI | 0.4° | 0.1° |
HAV | CAV | CAD | HAD | 1.4° | 0.2° |
HAD | CAD | CAC | HAC | 2.1° | 0.0° |
HAC | CAC | CAR | HAR | 0.6° | 0.0° |
HAR | CAR | CAE | HAE | 1.6° | 0.0° |
HAS | CAS | CAT | HAT1 | 174.7° | 177.8° |
HAS | CAS | CAT | HAT2 | 54.2° | 57.7° |
HAS | CAS | CAK | HAK1 | 49.6° | 57.7° |
HAS | CAS | CAK | HAK2 | 170.6° | 177.7° |
HAT1 | CAT | CAL | HAL1 | 59.2° | 59.2° |
HAT1 | CAT | CAL | HAL2 | 177.9° | 179.2° |
HAT2 | CAT | CAL | HAL1 | 61.4° | 60.9° |
HAT2 | CAT | CAL | HAL2 | 57.3° | 59.2° |
HAK1 | CAK | CAG | HAG1 | 52.5° | 59.1° |
HAK1 | CAK | CAG | HAG2 | 66.8° | 60.9° |
HAK2 | CAK | CAG | HAG1 | 173.5° | 179.3° |
HAK2 | CAK | CAG | HAG2 | 54.2° | 59.2° |