5QP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAN | CAO | sing | 1.53Å | 1.35Å | |
| CAN | CAR | sing | 1.53Å | 1.45Å | |
| OAG | CAR | sing | 1.43Å | 1.36Å | |
| OAD | CAO | sing | 1.43Å | 1.40Å | |
| CAO | CAT | sing | 1.53Å | 1.45Å | |
| CAR | CAV | sing | 1.53Å | 1.40Å | |
| CAV | CAX | sing | 1.53Å | 1.38Å | |
| CAV | CAK | sing | 1.53Å | 1.52Å | |
| CAT | OAI | sing | 1.43Å | 1.33Å | |
| CAT | CAX | sing | 1.53Å | 1.46Å | |
| OAB | CAK | sing | 1.43Å | 1.24Å | |
| CAX | O1 | sing | 1.43Å | 1.44Å | |
| O1 | C1 | sing | 1.43Å | 1.42Å | |
| O5 | C1 | sing | 1.43Å | 1.38Å | |
| O5 | C5 | sing | 1.43Å | 1.30Å | |
| C1 | C2 | sing | 1.53Å | 1.46Å | |
| C6 | C5 | sing | 1.53Å | 1.49Å | |
| C6 | O6 | sing | 1.43Å | 1.45Å | |
| C5 | C4 | sing | 1.53Å | 1.44Å | |
| C2 | O2 | sing | 1.43Å | 1.35Å | |
| C2 | C3 | sing | 1.53Å | 1.41Å | |
| C4 | C3 | sing | 1.53Å | 1.39Å | |
| C4 | O4 | sing | 1.43Å | 1.36Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| CAX | HAX1 | sing | 1.09Å | 1.10Å | |
| CAT | HAT1 | sing | 1.09Å | 1.10Å | |
| OAI | HAI1 | sing | 0.97Å | 0.95Å | |
| CAO | HAO1 | sing | 1.09Å | 1.10Å | |
| OAD | HAD1 | sing | 0.97Å | 0.95Å | |
| CAN | HAN1 | sing | 1.09Å | 1.10Å | |
| CAN | H1A | sing | 1.09Å | 1.10Å | |
| CAR | HAR1 | sing | 1.09Å | 1.10Å | |
| OAG | HAG1 | sing | 0.97Å | 0.95Å | |
| CAV | HAV1 | sing | 1.09Å | 1.10Å | |
| CAK | HAK1 | sing | 1.09Å | 1.10Å | |
| CAK | HAK2 | sing | 1.09Å | 1.10Å | |
| OAB | HAB1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAO | CAN | CAR | 109.1° | 109.5° |
| CAN | CAO | OAD | 111.1° | 109.4° |
| CAN | CAO | CAT | 117.6° | 109.4° |
| CAN | CAO | HAO1 | 108.1° | 109.5° |
| CAO | CAN | HAN1 | 109.6° | 109.5° |
| CAO | CAN | H1A | 109.6° | 109.5° |
| CAN | CAR | OAG | 105.4° | 109.5° |
| CAN | CAR | CAV | 114.8° | 109.5° |
| CAR | CAN | HAN1 | 109.5° | 109.4° |
| CAR | CAN | H1A | 109.6° | 109.5° |
| CAN | CAR | HAR1 | 108.7° | 109.5° |
| OAG | CAR | CAV | 108.7° | 109.5° |
| OAG | CAR | HAR1 | 109.9° | 109.5° |
| CAR | OAG | HAG1 | 109.5° | 114.0° |
| OAD | CAO | CAT | 105.5° | 109.5° |
| OAD | CAO | HAO1 | 107.3° | 109.5° |
| CAO | OAD | HAD1 | 109.5° | 114.0° |
| CAO | CAT | OAI | 104.1° | 109.4° |
| CAO | CAT | CAX | 112.0° | 109.5° |
| CAO | CAT | HAT1 | 108.2° | 109.5° |
| CAT | CAO | HAO1 | 106.7° | 109.5° |
| CAR | CAV | CAX | 110.5° | 109.4° |
| CAR | CAV | CAK | 111.8° | 109.5° |
| CAV | CAR | HAR1 | 109.3° | 109.5° |
| CAR | CAV | HAV1 | 107.5° | 109.5° |
| CAX | CAV | CAK | 113.0° | 109.5° |
| CAV | CAX | CAT | 107.7° | 109.5° |
| CAV | CAX | O1 | 109.1° | 109.4° |
| CAV | CAX | HAX1 | 109.7° | 109.6° |
| CAX | CAV | HAV1 | 107.7° | 109.5° |
| CAV | CAK | OAB | 111.6° | 109.5° |
| CAK | CAV | HAV1 | 106.0° | 109.5° |
| CAV | CAK | HAK1 | 109.0° | 109.4° |
| CAV | CAK | HAK2 | 108.9° | 109.5° |
| OAI | CAT | CAX | 114.4° | 109.5° |
| OAI | CAT | HAT1 | 109.9° | 109.5° |
| CAT | OAI | HAI1 | 109.5° | 114.0° |
| CAT | CAX | O1 | 112.8° | 109.5° |
| CAT | CAX | HAX1 | 108.6° | 109.5° |
| CAX | CAT | HAT1 | 108.1° | 109.5° |
| OAB | CAK | HAK1 | 108.9° | 109.5° |
| OAB | CAK | HAK2 | 108.9° | 109.5° |
| CAK | OAB | HAB1 | 109.5° | 114.0° |
| CAX | O1 | C1 | 119.6° | 114.0° |
| O1 | CAX | HAX1 | 108.9° | 109.4° |
| O1 | C1 | O5 | 113.5° | 109.4° |
| O1 | C1 | C2 | 114.4° | 109.4° |
| O1 | C1 | H1 | 107.1° | 109.5° |
| C1 | O5 | C5 | 115.8° | 114.2° |
| O5 | C1 | C2 | 107.2° | 109.4° |
| O5 | C1 | H1 | 107.6° | 109.5° |
| O5 | C5 | C6 | 109.0° | 109.6° |
| O5 | C5 | C4 | 111.5° | 109.4° |
| O5 | C5 | H5 | 109.6° | 109.4° |
| C1 | C2 | O2 | 111.8° | 109.5° |
| C1 | C2 | C3 | 114.5° | 109.2° |
| C1 | C2 | H2 | 106.4° | 109.5° |
| C2 | C1 | H1 | 106.6° | 109.5° |
| C5 | C6 | O6 | 111.9° | 109.5° |
| C6 | C5 | C4 | 112.0° | 109.5° |
| C6 | C5 | H5 | 107.0° | 109.4° |
| C5 | C6 | H61 | 108.9° | 109.5° |
| C5 | C6 | H62 | 108.9° | 109.4° |
| O6 | C6 | H61 | 108.9° | 109.5° |
| O6 | C6 | H62 | 108.9° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| C5 | C4 | C3 | 108.0° | 109.2° |
| C5 | C4 | O4 | 111.6° | 109.5° |
| C5 | C4 | H4 | 108.3° | 109.6° |
| C4 | C5 | H5 | 107.6° | 109.5° |
| O2 | C2 | C3 | 108.8° | 109.6° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| O2 | C2 | H2 | 107.8° | 109.5° |
| C2 | C3 | C4 | 110.4° | 109.0° |
| C2 | C3 | O3 | 109.7° | 109.5° |
| C3 | C2 | H2 | 107.1° | 109.5° |
| C2 | C3 | H3 | 108.8° | 109.5° |
| C3 | C4 | O4 | 110.4° | 109.5° |
| C4 | C3 | O3 | 110.2° | 109.6° |
| C4 | C3 | H3 | 109.0° | 109.7° |
| C3 | C4 | H4 | 109.0° | 109.5° |
| O4 | C4 | H4 | 109.4° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| O3 | C3 | H3 | 108.6° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| H61 | C6 | H62 | 109.5° | 109.5° |
| HAN1 | CAN | H1A | 109.5° | 109.5° |
| HAK1 | CAK | HAK2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAO | CAN | CAR | HAN1 | 119.9° | 120.0° |
| CAO | CAN | CAR | H1A | 120.0° | 120.0° |
| CAO | CAN | CAR | OAG | 169.3° | 180.0° |
| CAN | CAO | OAD | CAT | 128.5° | 120.0° |
| CAN | CAO | OAD | HAO1 | 118.0° | 120.0° |
| CAN | CAO | CAT | HAO1 | 121.5° | 120.0° |
| CAO | CAN | CAR | CAV | 49.8° | 60.0° |
| CAN | CAO | CAT | OAI | 172.2° | 180.0° |
| CAN | CAO | CAT | CAX | 48.1° | 60.0° |
| CAN | CAO | CAT | HAT1 | 70.9° | 60.0° |
| CAN | CAO | OAD | HAD1 | 180.0° | 60.0° |
| CAO | CAN | HAN1 | H1A | 120.2° | 120.1° |
| CAO | CAN | CAR | HAR1 | 72.9° | 60.0° |
| CAN | CAR | OAG | CAV | 123.5° | 120.0° |
| CAN | CAR | OAG | HAR1 | 116.9° | 120.0° |
| CAR | CAN | CAO | OAD | 165.2° | 180.0° |
| CAR | CAN | CAO | CAT | 43.5° | 60.0° |
| CAN | CAR | CAV | HAR1 | 122.3° | 120.0° |
| CAN | CAR | CAV | CAX | 61.0° | 60.0° |
| CAN | CAR | CAV | CAK | 172.2° | 180.0° |
| CAR | CAN | CAO | HAO1 | 77.3° | 60.0° |
| CAR | CAN | HAN1 | H1A | 120.2° | 119.9° |
| CAN | CAR | OAG | HAG1 | 180.0° | 60.0° |
| CAN | CAR | CAV | HAV1 | 56.3° | 60.0° |
| OAG | CAR | CAV | HAR1 | 119.9° | 120.0° |
| OAG | CAR | CAV | CAX | 178.8° | 180.0° |
| OAG | CAR | CAV | CAK | 54.5° | 60.0° |
| OAG | CAR | CAN | HAN1 | 70.8° | 60.0° |
| OAG | CAR | CAN | H1A | 49.3° | 60.0° |
| OAG | CAR | CAV | HAV1 | 61.5° | 60.0° |
| OAD | CAO | CAT | HAO1 | 114.0° | 120.1° |
| OAD | CAO | CAT | OAI | 63.2° | 60.0° |
| OAD | CAO | CAT | CAX | 172.6° | 180.0° |
| OAD | CAO | CAT | HAT1 | 53.6° | 59.9° |
| OAD | CAO | CAN | HAN1 | 74.9° | 60.0° |
| OAD | CAO | CAN | H1A | 45.2° | 60.0° |
| CAO | CAT | CAX | CAV | 53.6° | 60.1° |
| CAO | CAT | OAI | CAX | 122.6° | 120.0° |
| CAO | CAT | OAI | HAT1 | 115.7° | 120.0° |
| CAO | CAT | CAX | HAT1 | 119.0° | 120.0° |
| CAO | CAT | CAX | O1 | 174.1° | 180.0° |
| CAO | CAT | CAX | HAX1 | 65.1° | 60.1° |
| CAO | CAT | OAI | HAI1 | 180.0° | 60.0° |
| CAT | CAO | OAD | HAD1 | 51.5° | 180.0° |
| CAT | CAO | CAN | HAN1 | 163.4° | 180.0° |
| CAT | CAO | CAN | H1A | 76.5° | 60.0° |
| CAR | CAV | CAX | CAK | 126.0° | 120.0° |
| CAR | CAV | CAX | HAV1 | 117.2° | 120.0° |
| CAR | CAV | CAK | HAV1 | 116.9° | 120.0° |
| CAR | CAV | CAX | CAT | 60.4° | 60.0° |
| CAR | CAV | CAK | OAB | 60.0° | 65.1° |
| CAR | CAV | CAX | O1 | 176.7° | 180.0° |
| CAR | CAV | CAX | HAX1 | 57.6° | 60.0° |
| CAV | CAR | CAN | HAN1 | 169.7° | 180.0° |
| CAV | CAR | CAN | H1A | 70.2° | 60.0° |
| CAV | CAR | OAG | HAG1 | 56.5° | 180.0° |
| CAR | CAV | CAK | HAK1 | 60.3° | 174.9° |
| CAR | CAV | CAK | HAK2 | 179.7° | 54.9° |
| CAX | CAV | CAK | HAV1 | 117.8° | 120.1° |
| CAV | CAX | CAT | OAI | 171.8° | 180.0° |
| CAV | CAX | CAT | O1 | 120.5° | 120.0° |
| CAV | CAX | CAT | HAX1 | 118.7° | 120.1° |
| CAX | CAV | CAK | OAB | 65.3° | 174.9° |
| CAV | CAX | O1 | HAX1 | 119.7° | 120.1° |
| CAV | CAX | O1 | C1 | 143.9° | 154.9° |
| CAV | CAX | CAT | HAT1 | 65.4° | 60.0° |
| CAX | CAV | CAR | HAR1 | 61.3° | 60.0° |
| CAX | CAV | CAK | HAK1 | 174.4° | 54.9° |
| CAX | CAV | CAK | HAK2 | 55.0° | 65.1° |
| CAK | CAV | CAX | CAT | 173.5° | 180.0° |
| CAV | CAK | OAB | HAK1 | 120.3° | 120.0° |
| CAV | CAK | OAB | HAK2 | 120.3° | 120.0° |
| CAK | CAV | CAX | O1 | 50.7° | 60.0° |
| CAK | CAV | CAX | HAX1 | 68.5° | 59.9° |
| CAK | CAV | CAR | HAR1 | 65.4° | 60.0° |
| CAV | CAK | HAK1 | HAK2 | 119.1° | 120.0° |
| CAV | CAK | OAB | HAB1 | 180.0° | 180.0° |
| OAI | CAT | CAX | HAT1 | 122.8° | 120.0° |
| OAI | CAT | CAX | O1 | 67.7° | 60.0° |
| OAI | CAT | CAX | HAX1 | 53.1° | 59.9° |
| OAI | CAT | CAO | HAO1 | 50.8° | 60.0° |
| CAT | CAX | O1 | HAX1 | 120.6° | 120.0° |
| CAT | CAX | O1 | C1 | 96.5° | 85.1° |
| CAX | CAT | OAI | HAI1 | 57.4° | 180.0° |
| CAX | CAT | CAO | HAO1 | 73.4° | 60.0° |
| CAT | CAX | CAV | HAV1 | 56.7° | 60.0° |
| OAB | CAK | CAV | HAV1 | 176.9° | 54.8° |
| OAB | CAK | HAK1 | HAK2 | 119.0° | 120.0° |
| CAX | O1 | C1 | O5 | 71.5° | 72.2° |
| CAX | O1 | C1 | C2 | 165.1° | 167.8° |
| CAX | O1 | C1 | H1 | 47.1° | 47.8° |
| O1 | CAX | CAT | HAT1 | 55.1° | 60.0° |
| O1 | CAX | CAV | HAV1 | 66.1° | 60.0° |
| O1 | C1 | O5 | C2 | 127.3° | 119.9° |
| O1 | C1 | O5 | H1 | 118.4° | 120.0° |
| O1 | C1 | O5 | C5 | 74.1° | 58.9° |
| O1 | C1 | C2 | H1 | 118.2° | 120.0° |
| O1 | C1 | C2 | O2 | 46.0° | 57.6° |
| O1 | C1 | C2 | C3 | 78.4° | 62.4° |
| O1 | C1 | C2 | H2 | 163.5° | 177.7° |
| C1 | O1 | CAX | HAX1 | 24.2° | 34.8° |
| O5 | C1 | C2 | H1 | 115.0° | 120.0° |
| C1 | O5 | C5 | C6 | 174.5° | 178.8° |
| C1 | O5 | C5 | C4 | 61.4° | 61.1° |
| O5 | C1 | C2 | O2 | 172.8° | 177.5° |
| O5 | C1 | C2 | C3 | 48.4° | 57.5° |
| O5 | C1 | C2 | H2 | 69.7° | 62.4° |
| C1 | O5 | C5 | H5 | 57.6° | 58.9° |
| C5 | O5 | C1 | C2 | 53.2° | 61.1° |
| O5 | C5 | C6 | C4 | 123.9° | 120.0° |
| O5 | C5 | C6 | H5 | 118.5° | 120.0° |
| O5 | C5 | C6 | O6 | 58.7° | 65.0° |
| O5 | C5 | C4 | H5 | 120.2° | 119.9° |
| O5 | C5 | C4 | C3 | 60.2° | 57.6° |
| O5 | C5 | C4 | O4 | 178.3° | 177.4° |
| O5 | C5 | C4 | H4 | 57.8° | 62.4° |
| O5 | C5 | C6 | H61 | 61.6° | 175.0° |
| O5 | C5 | C6 | H62 | 179.1° | 55.0° |
| C5 | O5 | C1 | H1 | 167.5° | 178.9° |
| C1 | C2 | O2 | C3 | 127.5° | 119.8° |
| C1 | C2 | O2 | H2 | 116.7° | 120.1° |
| C1 | C2 | C3 | H2 | 117.8° | 119.9° |
| C1 | C2 | C3 | C4 | 53.2° | 57.0° |
| C1 | C2 | C3 | O3 | 174.8° | 176.8° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.2° |
| C1 | C2 | C3 | H3 | 66.4° | 63.1° |
| C5 | C6 | O6 | H61 | 120.3° | 120.1° |
| C5 | C6 | O6 | H62 | 120.4° | 120.0° |
| C6 | C5 | C4 | H5 | 117.3° | 120.0° |
| C6 | C5 | C4 | C3 | 177.4° | 177.7° |
| C6 | C5 | C4 | O4 | 55.8° | 62.5° |
| C6 | C5 | C4 | H4 | 64.7° | 57.7° |
| C5 | C6 | H61 | H62 | 118.9° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O6 | C6 | C5 | C4 | 65.1° | 175.0° |
| O6 | C6 | C5 | H5 | 177.2° | 55.0° |
| O6 | C6 | H61 | H62 | 118.9° | 120.0° |
| C5 | C4 | C3 | C2 | 55.5° | 57.0° |
| C5 | C4 | C3 | O4 | 122.2° | 119.9° |
| C5 | C4 | C3 | H4 | 117.5° | 120.0° |
| C5 | C4 | O4 | H4 | 119.9° | 120.2° |
| C5 | C4 | C3 | O3 | 176.8° | 176.9° |
| C5 | C4 | C3 | H3 | 64.0° | 62.9° |
| C5 | C4 | O4 | HO4 | 180.0° | 179.7° |
| C4 | C5 | C6 | H61 | 174.5° | 55.0° |
| C4 | C5 | C6 | H62 | 55.3° | 65.0° |
| O2 | C2 | C3 | H2 | 116.3° | 120.1° |
| O2 | C2 | C3 | C4 | 179.2° | 176.9° |
| O2 | C2 | C3 | O3 | 59.2° | 63.2° |
| O2 | C2 | C3 | H3 | 59.6° | 56.9° |
| O2 | C2 | C1 | H1 | 72.2° | 62.4° |
| C2 | C3 | C4 | O3 | 121.4° | 119.9° |
| C2 | C3 | C4 | H3 | 119.5° | 119.9° |
| C2 | C3 | C4 | O4 | 177.7° | 176.9° |
| C2 | C3 | O3 | H3 | 118.9° | 120.1° |
| C3 | C2 | O2 | HO2 | 52.5° | 180.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C2 | C3 | C4 | H4 | 62.1° | 63.0° |
| C3 | C2 | C1 | H1 | 163.4° | 177.6° |
| C3 | C4 | O4 | H4 | 120.0° | 120.1° |
| C4 | C3 | O3 | H3 | 119.4° | 120.3° |
| C4 | C3 | C2 | H2 | 64.6° | 63.0° |
| C4 | C3 | O3 | HO3 | 58.2° | 179.6° |
| C3 | C4 | O4 | HO4 | 59.9° | 60.0° |
| C3 | C4 | C5 | H5 | 60.0° | 62.3° |
| O4 | C4 | C3 | O3 | 60.9° | 63.3° |
| O4 | C4 | C3 | H3 | 58.2° | 56.9° |
| O4 | C4 | C5 | H5 | 61.5° | 57.5° |
| O3 | C3 | C2 | H2 | 57.1° | 56.9° |
| O3 | C3 | C4 | H4 | 59.3° | 56.9° |
| HO2 | O2 | C2 | H2 | 63.3° | 59.9° |
| H2 | C2 | C3 | H3 | 175.8° | 177.0° |
| H2 | C2 | C1 | H1 | 45.3° | 57.6° |
| H3 | C3 | O3 | HO3 | 61.1° | 60.1° |
| H3 | C3 | C4 | H4 | 178.5° | 177.1° |
| H4 | C4 | O4 | HO4 | 60.1° | 60.1° |
| H4 | C4 | C5 | H5 | 178.0° | 177.7° |
| H5 | C5 | C6 | H61 | 56.9° | 65.1° |
| H5 | C5 | C6 | H62 | 62.4° | 175.0° |
| H61 | C6 | O6 | HO6 | 59.6° | 60.0° |
| H62 | C6 | O6 | HO6 | 59.7° | 60.0° |
| HAX1 | CAX | CAT | HAT1 | 175.9° | 179.9° |
| HAX1 | CAX | CAV | HAV1 | 174.8° | 179.9° |
| HAT1 | CAT | OAI | HAI1 | 64.3° | 60.0° |
| HAT1 | CAT | CAO | HAO1 | 167.6° | 180.0° |
| HAO1 | CAO | OAD | HAD1 | 62.1° | 60.0° |
| HAO1 | CAO | CAN | HAN1 | 42.6° | 60.0° |
| HAO1 | CAO | CAN | H1A | 162.7° | 180.0° |
| HAN1 | CAN | CAR | HAR1 | 47.0° | 60.0° |
| H1A | CAN | CAR | HAR1 | 167.1° | 180.0° |
| HAR1 | CAR | OAG | HAG1 | 63.1° | 60.0° |
| HAR1 | CAR | CAV | HAV1 | 178.6° | 179.9° |
| HAV1 | CAV | CAK | HAK1 | 56.6° | 65.1° |
| HAV1 | CAV | CAK | HAK2 | 62.8° | 174.8° |
| HAK1 | CAK | OAB | HAB1 | 59.7° | 60.0° |
| HAK2 | CAK | OAB | HAB1 | 59.7° | 60.0° |
