WQP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAE | PAD | sing | 1.61Å | 1.50Å | |
| PAD | OAA | doub | 1.48Å | 1.53Å | |
| PAD | OAC | sing | 1.61Å | 1.51Å | |
| PAD | OAH | sing | 1.61Å | 1.62Å | |
| OAH | CAN | sing | 1.43Å | 1.41Å | |
| CAN | CAM | sing | 1.51Å | 1.50Å | |
| CAN | CAO | sing | 1.53Å | 1.52Å | |
| CAM | OAV | doub | 1.21Å | 1.25Å | |
| CAM | OAL | sing | 1.34Å | 1.25Å | |
| CAO | CAP | sing | 1.53Å | 1.53Å | |
| CAP | OAW | sing | 1.43Å | 1.44Å | |
| CAP | CAQ | sing | 1.53Å | 1.54Å | |
| CAQ | NAI | sing | 1.47Å | 1.46Å | |
| CAQ | CAR | sing | 1.53Å | 1.54Å | |
| NAI | CAF | sing | 1.35Å | 1.33Å | |
| CAF | CAG | sing | 1.51Å | 1.49Å | |
| CAF | OAB | doub | 1.21Å | 1.21Å | |
| CAR | OAX | sing | 1.43Å | 1.44Å | |
| CAR | CAS | sing | 1.53Å | 1.53Å | |
| CAS | OAJ | sing | 1.43Å | 1.44Å | |
| CAS | CAT | sing | 1.53Å | 1.54Å | |
| CAT | OAY | sing | 1.43Å | 1.44Å | |
| CAT | CAU | sing | 1.53Å | 1.52Å | |
| CAU | OAK | sing | 1.43Å | 1.43Å | |
| OAE | HAE | sing | 0.97Å | 0.95Å | |
| OAC | HAC | sing | 0.97Å | 0.95Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| CAO | HAO1 | sing | 1.09Å | 1.10Å | |
| CAO | HAO2 | sing | 1.09Å | 1.10Å | |
| OAL | HAL | sing | 0.97Å | 0.95Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| OAW | HAW | sing | 0.97Å | 0.95Å | |
| CAQ | HAQ | sing | 1.09Å | 1.10Å | |
| NAI | HAI | sing | 0.97Å | 1.00Å | |
| CAR | HAR | sing | 1.09Å | 1.10Å | |
| CAG | HAG1 | sing | 1.09Å | 1.10Å | |
| CAG | HAG2 | sing | 1.09Å | 1.10Å | |
| CAG | HAG3 | sing | 1.09Å | 1.10Å | |
| OAX | HAX | sing | 0.97Å | 0.95Å | |
| CAS | HAS | sing | 1.09Å | 1.10Å | |
| OAJ | HAJ | sing | 0.97Å | 0.95Å | |
| CAT | HAT | sing | 1.09Å | 1.10Å | |
| OAY | HAY | sing | 0.97Å | 0.95Å | |
| CAU | HAU1 | sing | 1.09Å | 1.10Å | |
| CAU | HAU2 | sing | 1.09Å | 1.10Å | |
| OAK | HAK | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAE | PAD | OAA | 115.6° | 109.5° |
| OAE | PAD | OAC | 112.2° | 109.4° |
| OAE | PAD | OAH | 102.8° | 109.5° |
| PAD | OAE | HAE | 109.5° | 114.1° |
| OAA | PAD | OAC | 117.6° | 109.5° |
| OAA | PAD | OAH | 101.2° | 109.5° |
| OAC | PAD | OAH | 104.7° | 109.4° |
| PAD | OAC | HAC | 109.5° | 114.0° |
| PAD | OAH | CAN | 127.9° | 123.0° |
| OAH | CAN | CAM | 107.0° | 109.4° |
| OAH | CAN | CAO | 112.1° | 109.5° |
| OAH | CAN | HAN | 109.9° | 109.5° |
| CAM | CAN | CAO | 111.1° | 109.4° |
| CAN | CAM | OAV | 117.3° | 120.0° |
| CAN | CAM | OAL | 119.0° | 120.0° |
| CAM | CAN | HAN | 111.0° | 109.5° |
| CAN | CAO | CAP | 108.9° | 109.5° |
| CAO | CAN | HAN | 105.7° | 109.5° |
| CAN | CAO | HAO1 | 109.7° | 109.5° |
| CAN | CAO | HAO2 | 109.8° | 109.5° |
| OAV | CAM | OAL | 123.7° | 120.0° |
| CAM | OAL | HAL | 109.5° | 117.1° |
| CAO | CAP | OAW | 106.8° | 109.4° |
| CAO | CAP | CAQ | 111.9° | 109.5° |
| CAP | CAO | HAO1 | 109.7° | 109.4° |
| CAP | CAO | HAO2 | 109.8° | 109.5° |
| CAO | CAP | HAP | 110.5° | 109.4° |
| OAW | CAP | CAQ | 111.7° | 109.5° |
| OAW | CAP | HAP | 110.6° | 109.4° |
| CAP | OAW | HAW | 109.5° | 114.0° |
| CAP | CAQ | NAI | 109.0° | 109.5° |
| CAP | CAQ | CAR | 112.7° | 109.5° |
| CAQ | CAP | HAP | 105.4° | 109.5° |
| CAP | CAQ | HAQ | 107.6° | 109.5° |
| NAI | CAQ | CAR | 109.5° | 109.4° |
| CAQ | NAI | CAF | 122.9° | 120.0° |
| NAI | CAQ | HAQ | 111.0° | 109.4° |
| CAQ | NAI | HAI | 118.6° | 120.0° |
| CAQ | CAR | OAX | 112.5° | 109.4° |
| CAQ | CAR | CAS | 112.4° | 109.5° |
| CAR | CAQ | HAQ | 107.1° | 109.5° |
| CAQ | CAR | HAR | 104.9° | 109.4° |
| NAI | CAF | CAG | 116.2° | 120.0° |
| NAI | CAF | OAB | 122.8° | 120.0° |
| CAF | NAI | HAI | 118.6° | 120.0° |
| CAG | CAF | OAB | 121.0° | 120.0° |
| CAF | CAG | HAG1 | 109.5° | 109.5° |
| CAF | CAG | HAG2 | 109.5° | 109.5° |
| CAF | CAG | HAG3 | 109.5° | 109.5° |
| OAX | CAR | CAS | 108.6° | 109.5° |
| OAX | CAR | HAR | 109.1° | 109.5° |
| CAR | OAX | HAX | 109.5° | 114.0° |
| CAR | CAS | OAJ | 109.3° | 109.5° |
| CAR | CAS | CAT | 112.3° | 109.4° |
| CAS | CAR | HAR | 109.2° | 109.5° |
| CAR | CAS | HAS | 107.6° | 109.5° |
| OAJ | CAS | CAT | 109.3° | 109.5° |
| OAJ | CAS | HAS | 110.7° | 109.5° |
| CAS | OAJ | HAJ | 109.5° | 114.0° |
| CAS | CAT | OAY | 112.2° | 109.5° |
| CAS | CAT | CAU | 108.9° | 109.5° |
| CAT | CAS | HAS | 107.6° | 109.4° |
| CAS | CAT | HAT | 107.8° | 109.5° |
| OAY | CAT | CAU | 108.8° | 109.5° |
| OAY | CAT | HAT | 107.9° | 109.5° |
| CAT | OAY | HAY | 109.5° | 114.0° |
| CAT | CAU | OAK | 110.2° | 109.4° |
| CAU | CAT | HAT | 111.3° | 109.4° |
| CAT | CAU | HAU1 | 109.2° | 109.5° |
| CAT | CAU | HAU2 | 109.0° | 109.5° |
| OAK | CAU | HAU1 | 109.2° | 109.5° |
| OAK | CAU | HAU2 | 109.1° | 109.4° |
| CAU | OAK | HAK | 109.5° | 114.0° |
| HAO1 | CAO | HAO2 | 109.0° | 109.5° |
| HAG1 | CAG | HAG2 | 109.5° | 109.5° |
| HAG1 | CAG | HAG3 | 109.4° | 109.4° |
| HAG2 | CAG | HAG3 | 109.5° | 109.5° |
| HAU1 | CAU | HAU2 | 110.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAE | PAD | OAA | OAC | 136.4° | 120.0° |
| OAE | PAD | OAA | OAH | 110.2° | 120.1° |
| OAE | PAD | OAC | OAH | 110.8° | 120.0° |
| OAE | PAD | OAH | CAN | 109.7° | 65.0° |
| OAE | PAD | OAC | HAC | 40.8° | 60.0° |
| OAA | PAD | OAC | OAH | 111.4° | 120.0° |
| OAA | PAD | OAH | CAN | 130.5° | 55.0° |
| OAA | PAD | OAE | HAE | 169.0° | 180.0° |
| OAA | PAD | OAC | HAC | 97.0° | 60.0° |
| OAC | PAD | OAH | CAN | 7.7° | 175.0° |
| OAC | PAD | OAE | HAE | 52.3° | 60.0° |
| PAD | OAH | CAN | CAM | 165.8° | 120.0° |
| PAD | OAH | CAN | CAO | 72.1° | 120.0° |
| OAH | PAD | OAE | HAE | 59.7° | 60.0° |
| OAH | PAD | OAC | HAC | 151.6° | 180.0° |
| PAD | OAH | CAN | HAN | 45.2° | 0.0° |
| OAH | CAN | CAM | CAO | 122.7° | 119.9° |
| OAH | CAN | CAM | HAN | 120.0° | 120.0° |
| OAH | CAN | CAO | HAN | 119.8° | 120.1° |
| OAH | CAN | CAM | OAV | 18.6° | 4.9° |
| OAH | CAN | CAM | OAL | 162.9° | 175.0° |
| OAH | CAN | CAO | CAP | 130.6° | 65.1° |
| OAH | CAN | CAO | HAO1 | 109.4° | 175.0° |
| OAH | CAN | CAO | HAO2 | 10.4° | 55.0° |
| CAM | CAN | CAO | HAN | 120.5° | 120.0° |
| CAN | CAM | OAV | OAL | 178.5° | 179.9° |
| CAM | CAN | CAO | CAP | 109.6° | 175.0° |
| CAM | CAN | CAO | HAO1 | 10.4° | 55.1° |
| CAM | CAN | CAO | HAO2 | 130.1° | 65.0° |
| CAN | CAM | OAL | HAL | 178.4° | 180.0° |
| CAO | CAN | CAM | OAV | 141.3° | 115.0° |
| CAO | CAN | CAM | OAL | 40.1° | 65.1° |
| CAN | CAO | CAP | HAO1 | 120.0° | 120.0° |
| CAN | CAO | CAP | HAO2 | 120.2° | 120.0° |
| CAN | CAO | CAP | OAW | 72.6° | 65.0° |
| CAN | CAO | CAP | CAQ | 164.9° | 175.0° |
| CAN | CAO | HAO1 | HAO2 | 120.2° | 120.1° |
| CAN | CAO | CAP | HAP | 47.8° | 54.9° |
| OAV | CAM | CAN | HAN | 101.4° | 124.9° |
| OAV | CAM | OAL | HAL | 0.0° | 0.1° |
| OAL | CAM | CAN | HAN | 77.2° | 54.9° |
| CAO | CAP | OAW | CAQ | 122.6° | 120.0° |
| CAO | CAP | OAW | HAP | 120.3° | 119.9° |
| CAO | CAP | CAQ | HAP | 120.1° | 120.0° |
| CAO | CAP | CAQ | NAI | 61.7° | 58.9° |
| CAO | CAP | CAQ | CAR | 176.5° | 178.8° |
| CAP | CAO | CAN | HAN | 10.8° | 55.0° |
| CAP | CAO | HAO1 | HAO2 | 120.3° | 120.0° |
| CAO | CAP | OAW | HAW | 22.6° | 64.9° |
| CAO | CAP | CAQ | HAQ | 58.7° | 61.1° |
| OAW | CAP | CAQ | HAP | 120.2° | 120.0° |
| OAW | CAP | CAQ | NAI | 58.0° | 61.1° |
| OAW | CAP | CAQ | CAR | 63.8° | 58.8° |
| OAW | CAP | CAO | HAO1 | 167.4° | 175.0° |
| OAW | CAP | CAO | HAO2 | 47.7° | 55.1° |
| OAW | CAP | CAQ | HAQ | 178.4° | 178.9° |
| CAP | CAQ | NAI | CAR | 123.8° | 120.0° |
| CAP | CAQ | NAI | HAQ | 118.3° | 120.0° |
| CAP | CAQ | CAR | HAQ | 118.1° | 120.0° |
| CAP | CAQ | NAI | CAF | 109.8° | 114.9° |
| CAP | CAQ | CAR | OAX | 46.4° | 60.0° |
| CAP | CAQ | CAR | CAS | 169.3° | 180.0° |
| CAQ | CAP | CAO | HAO1 | 44.9° | 55.0° |
| CAQ | CAP | CAO | HAO2 | 74.9° | 65.0° |
| CAQ | CAP | OAW | HAW | 100.0° | 55.1° |
| CAP | CAQ | NAI | HAI | 70.2° | 65.1° |
| CAP | CAQ | CAR | HAR | 72.2° | 60.0° |
| NAI | CAQ | CAR | HAQ | 120.4° | 119.9° |
| CAQ | NAI | CAF | HAI | 180.0° | 179.9° |
| CAQ | NAI | CAF | CAG | 179.2° | 175.0° |
| CAQ | NAI | CAF | OAB | 0.4° | 5.0° |
| NAI | CAQ | CAR | OAX | 167.9° | 180.0° |
| NAI | CAQ | CAR | CAS | 69.2° | 60.0° |
| NAI | CAQ | CAP | HAP | 178.2° | 178.9° |
| NAI | CAQ | CAR | HAR | 49.4° | 60.0° |
| CAR | CAQ | NAI | CAF | 126.4° | 125.1° |
| CAQ | CAR | OAX | CAS | 125.1° | 120.0° |
| CAQ | CAR | OAX | HAR | 116.0° | 120.0° |
| CAQ | CAR | CAS | HAR | 116.0° | 120.0° |
| CAQ | CAR | CAS | OAJ | 67.9° | 55.0° |
| CAQ | CAR | CAS | CAT | 170.5° | 175.0° |
| CAR | CAQ | CAP | HAP | 56.4° | 61.1° |
| CAR | CAQ | NAI | HAI | 53.6° | 54.9° |
| CAQ | CAR | OAX | HAX | 157.3° | 60.0° |
| CAQ | CAR | CAS | HAS | 52.3° | 65.0° |
| NAI | CAF | CAG | OAB | 179.6° | 180.0° |
| CAF | NAI | CAQ | HAQ | 8.4° | 5.2° |
| NAI | CAF | CAG | HAG1 | 141.0° | 90.0° |
| NAI | CAF | CAG | HAG2 | 21.0° | 150.0° |
| NAI | CAF | CAG | HAG3 | 99.0° | 30.0° |
| CAG | CAF | NAI | HAI | 0.8° | 5.0° |
| CAF | CAG | HAG1 | HAG2 | 120.0° | 120.0° |
| CAF | CAG | HAG1 | HAG3 | 120.0° | 120.0° |
| CAF | CAG | HAG2 | HAG3 | 120.0° | 120.0° |
| OAB | CAF | NAI | HAI | 179.6° | 175.1° |
| OAB | CAF | CAG | HAG1 | 39.4° | 90.0° |
| OAB | CAF | CAG | HAG2 | 159.4° | 30.0° |
| OAB | CAF | CAG | HAG3 | 80.6° | 150.0° |
| OAX | CAR | CAS | HAR | 118.9° | 120.1° |
| OAX | CAR | CAS | OAJ | 57.2° | 65.0° |
| OAX | CAR | CAS | CAT | 64.3° | 55.0° |
| OAX | CAR | CAQ | HAQ | 71.7° | 60.0° |
| OAX | CAR | CAS | HAS | 177.5° | 175.0° |
| CAR | CAS | OAJ | CAT | 123.3° | 120.0° |
| CAR | CAS | OAJ | HAS | 118.3° | 120.0° |
| CAR | CAS | CAT | HAS | 118.2° | 120.0° |
| CAR | CAS | CAT | OAY | 48.2° | 60.0° |
| CAR | CAS | CAT | CAU | 168.7° | 180.0° |
| CAS | CAR | CAQ | HAQ | 51.2° | 60.0° |
| CAS | CAR | OAX | HAX | 77.6° | 60.0° |
| CAR | CAS | OAJ | HAJ | 104.3° | 60.0° |
| CAR | CAS | CAT | HAT | 70.4° | 60.0° |
| OAJ | CAS | CAT | HAS | 120.3° | 120.0° |
| OAJ | CAS | CAT | OAY | 169.7° | NaN° |
| OAJ | CAS | CAT | CAU | 69.8° | 60.0° |
| OAJ | CAS | CAR | HAR | 176.1° | 175.0° |
| OAJ | CAS | CAT | HAT | 51.1° | 60.0° |
| CAS | CAT | OAY | CAU | 120.5° | 120.0° |
| CAS | CAT | OAY | HAT | 118.6° | 120.0° |
| CAS | CAT | CAU | HAT | 118.7° | 120.0° |
| CAS | CAT | CAU | OAK | 168.5° | 175.0° |
| CAT | CAS | CAR | HAR | 54.5° | 65.0° |
| CAT | CAS | OAJ | HAJ | 19.0° | 60.0° |
| CAS | CAT | OAY | HAY | 25.9° | 60.0° |
| CAS | CAT | CAU | HAU1 | 71.5° | 55.0° |
| CAS | CAT | CAU | HAU2 | 48.8° | 65.0° |
| OAY | CAT | CAU | HAT | 118.7° | 120.0° |
| OAY | CAT | CAU | OAK | 45.9° | 65.0° |
| OAY | CAT | CAS | HAS | 70.0° | 60.0° |
| OAY | CAT | CAU | HAU1 | 165.9° | 175.0° |
| OAY | CAT | CAU | HAU2 | 73.8° | 55.0° |
| CAT | CAU | OAK | HAU1 | 120.0° | 120.0° |
| CAT | CAU | OAK | HAU2 | 119.7° | 120.0° |
| CAU | CAT | CAS | HAS | 50.5° | 60.0° |
| CAU | CAT | OAY | HAY | 94.6° | 60.0° |
| CAT | CAU | HAU1 | HAU2 | 119.7° | 120.0° |
| CAT | CAU | OAK | HAK | 96.3° | 180.0° |
| OAK | CAU | CAT | HAT | 72.8° | 55.0° |
| OAK | CAU | HAU1 | HAU2 | 119.7° | 120.0° |
| HAN | CAN | CAO | HAO1 | 130.8° | 64.9° |
| HAN | CAN | CAO | HAO2 | 109.4° | 175.0° |
| HAO1 | CAO | CAP | HAP | 72.2° | 65.0° |
| HAO2 | CAO | CAP | HAP | 168.0° | 175.0° |
| HAP | CAP | OAW | HAW | 142.9° | 175.1° |
| HAP | CAP | CAQ | HAQ | 61.4° | 58.9° |
| HAQ | CAQ | NAI | HAI | 171.5° | 174.9° |
| HAQ | CAQ | CAR | HAR | 169.7° | 180.0° |
| HAR | CAR | OAX | HAX | 41.3° | 179.9° |
| HAR | CAR | CAS | HAS | 63.7° | 54.9° |
| HAG1 | CAG | HAG2 | HAG3 | 120.0° | 120.0° |
| HAS | CAS | OAJ | HAJ | 137.3° | 180.0° |
| HAS | CAS | CAT | HAT | 171.3° | 180.0° |
| HAT | CAT | OAY | HAY | 144.5° | 180.0° |
| HAT | CAT | CAU | HAU1 | 47.2° | 65.0° |
| HAT | CAT | CAU | HAU2 | 167.5° | 175.0° |
| HAU1 | CAU | OAK | HAK | 143.7° | 60.0° |
| HAU2 | CAU | OAK | HAK | 23.4° | 60.0° |
