3DP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAG | sing | 1.53Å | 1.51Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| CAG | CAH | sing | 1.53Å | 1.50Å | |
| CAG | HAG1 | sing | 1.09Å | 1.10Å | |
| CAG | HAG2 | sing | 1.09Å | 1.10Å | |
| CAH | CAI | sing | 1.53Å | 1.52Å | |
| CAH | HAH1 | sing | 1.09Å | 1.10Å | |
| CAH | HAH2 | sing | 1.09Å | 1.10Å | |
| CAI | CAJ | sing | 1.53Å | 1.52Å | |
| CAI | HAI1 | sing | 1.09Å | 1.10Å | |
| CAI | HAI2 | sing | 1.09Å | 1.10Å | |
| CAJ | CAK | sing | 1.53Å | 1.51Å | |
| CAJ | HAJ1 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ2 | sing | 1.09Å | 1.10Å | |
| CAK | CAL | sing | 1.53Å | 1.52Å | |
| CAK | HAK1 | sing | 1.09Å | 1.10Å | |
| CAK | HAK2 | sing | 1.09Å | 1.10Å | |
| CAL | CAN | sing | 1.53Å | 1.52Å | |
| CAL | HAL1 | sing | 1.09Å | 1.10Å | |
| CAL | HAL2 | sing | 1.09Å | 1.10Å | |
| CAN | NAQ | sing | 1.47Å | 1.47Å | |
| CAN | HAN1 | sing | 1.09Å | 1.10Å | |
| CAN | HAN2 | sing | 1.09Å | 1.10Å | |
| NAQ | CAB | sing | 1.47Å | 1.48Å | |
| NAQ | CAC | sing | 1.47Å | 1.47Å | |
| NAQ | CAO | sing | 1.47Å | 1.46Å | |
| CAB | HAB1 | sing | 1.09Å | 1.10Å | |
| CAB | HAB2 | sing | 1.09Å | 1.10Å | |
| CAB | HAB3 | sing | 1.09Å | 1.10Å | |
| CAC | HAC1 | sing | 1.09Å | 1.10Å | |
| CAC | HAC2 | sing | 1.09Å | 1.10Å | |
| CAC | HAC3 | sing | 1.09Å | 1.10Å | |
| CAO | CAM | sing | 1.53Å | 1.52Å | |
| CAO | HAO1 | sing | 1.09Å | 1.10Å | |
| CAO | HAO2 | sing | 1.09Å | 1.10Å | |
| CAM | CAP | sing | 1.53Å | 1.53Å | |
| CAM | HAM1 | sing | 1.09Å | 1.10Å | |
| CAM | HAM2 | sing | 1.09Å | 1.10Å | |
| CAP | SAR | sing | 1.81Å | 1.82Å | |
| CAP | HAP1 | sing | 1.09Å | 1.10Å | |
| CAP | HAP2 | sing | 1.09Å | 1.10Å | |
| SAR | OAF | doub | 1.46Å | 1.41Å | |
| SAR | OAE | doub | 1.45Å | 1.49Å | |
| SAR | OAD | sing | 1.45Å | 1.49Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAG | CAA | HAA1 | 109.4° | 109.4° |
| CAG | CAA | HAA2 | 109.5° | 109.5° |
| CAG | CAA | HAA3 | 109.5° | 109.5° |
| CAA | CAG | CAH | 111.3° | 109.4° |
| CAA | CAG | HAG1 | 108.5° | 109.5° |
| CAA | CAG | HAG2 | 108.9° | 109.5° |
| HAA1 | CAA | HAA2 | 109.5° | 109.5° |
| HAA1 | CAA | HAA3 | 109.4° | 109.4° |
| HAA2 | CAA | HAA3 | 109.5° | 109.5° |
| CAH | CAG | HAG1 | 108.5° | 109.4° |
| CAH | CAG | HAG2 | 108.9° | 109.4° |
| CAG | CAH | CAI | 109.3° | 109.5° |
| CAG | CAH | HAH1 | 109.6° | 109.5° |
| CAG | CAH | HAH2 | 109.6° | 109.5° |
| HAG1 | CAG | HAG2 | 110.9° | 109.5° |
| CAI | CAH | HAH1 | 109.6° | 109.4° |
| CAI | CAH | HAH2 | 109.5° | 109.4° |
| CAH | CAI | CAJ | 111.9° | 109.5° |
| CAH | CAI | HAI1 | 108.1° | 109.4° |
| CAH | CAI | HAI2 | 108.7° | 109.5° |
| HAH1 | CAH | HAH2 | 109.3° | 109.5° |
| CAJ | CAI | HAI1 | 108.1° | 109.5° |
| CAJ | CAI | HAI2 | 108.7° | 109.5° |
| CAI | CAJ | CAK | 112.0° | 109.5° |
| CAI | CAJ | HAJ1 | 108.1° | 109.5° |
| CAI | CAJ | HAJ2 | 108.6° | 109.5° |
| HAI1 | CAI | HAI2 | 111.4° | 109.4° |
| CAK | CAJ | HAJ1 | 108.1° | 109.4° |
| CAK | CAJ | HAJ2 | 108.7° | 109.5° |
| CAJ | CAK | CAL | 110.5° | 109.5° |
| CAJ | CAK | HAK1 | 108.9° | 109.4° |
| CAJ | CAK | HAK2 | 109.1° | 109.5° |
| HAJ1 | CAJ | HAJ2 | 111.4° | 109.4° |
| CAL | CAK | HAK1 | 108.9° | 109.5° |
| CAL | CAK | HAK2 | 109.1° | 109.5° |
| CAK | CAL | CAN | 112.6° | 109.5° |
| CAK | CAL | HAL1 | 107.7° | 109.5° |
| CAK | CAL | HAL2 | 108.4° | 109.5° |
| HAK1 | CAK | HAK2 | 110.3° | 109.4° |
| CAN | CAL | HAL1 | 107.7° | 109.4° |
| CAN | CAL | HAL2 | 108.4° | 109.5° |
| CAL | CAN | NAQ | 109.5° | 109.5° |
| CAL | CAN | HAN1 | 109.4° | 109.4° |
| CAL | CAN | HAN2 | 109.4° | 109.4° |
| HAL1 | CAL | HAL2 | 112.0° | 109.4° |
| NAQ | CAN | HAN1 | 109.5° | 109.5° |
| NAQ | CAN | HAN2 | 109.5° | 109.5° |
| CAN | NAQ | CAB | 111.3° | 109.5° |
| CAN | NAQ | CAC | 109.8° | 109.5° |
| CAN | NAQ | CAO | 108.1° | 109.4° |
| HAN1 | CAN | HAN2 | 109.5° | 109.5° |
| CAB | NAQ | CAC | 109.1° | 109.5° |
| CAB | NAQ | CAO | 110.5° | 109.4° |
| NAQ | CAB | HAB1 | 109.5° | 109.4° |
| NAQ | CAB | HAB2 | 109.5° | 109.4° |
| NAQ | CAB | HAB3 | 109.5° | 109.5° |
| CAC | NAQ | CAO | 108.0° | 109.5° |
| NAQ | CAC | HAC1 | 109.5° | 109.5° |
| NAQ | CAC | HAC2 | 109.5° | 109.4° |
| NAQ | CAC | HAC3 | 109.5° | 109.5° |
| NAQ | CAO | CAM | 109.0° | 109.4° |
| NAQ | CAO | HAO1 | 109.7° | 109.4° |
| NAQ | CAO | HAO2 | 109.6° | 109.5° |
| HAB1 | CAB | HAB2 | 109.5° | 109.5° |
| HAB1 | CAB | HAB3 | 109.5° | 109.5° |
| HAB2 | CAB | HAB3 | 109.5° | 109.5° |
| HAC1 | CAC | HAC2 | 109.5° | 109.5° |
| HAC1 | CAC | HAC3 | 109.4° | 109.5° |
| HAC2 | CAC | HAC3 | 109.5° | 109.5° |
| CAM | CAO | HAO1 | 109.7° | 109.5° |
| CAM | CAO | HAO2 | 109.6° | 109.5° |
| CAO | CAM | CAP | 111.0° | 109.5° |
| CAO | CAM | HAM1 | 108.7° | 109.5° |
| CAO | CAM | HAM2 | 109.0° | 109.5° |
| HAO1 | CAO | HAO2 | 109.1° | 109.5° |
| CAP | CAM | HAM1 | 108.6° | 109.5° |
| CAP | CAM | HAM2 | 109.0° | 109.4° |
| CAM | CAP | SAR | 111.9° | 109.5° |
| CAM | CAP | HAP1 | 108.2° | 109.4° |
| CAM | CAP | HAP2 | 108.7° | 109.5° |
| HAM1 | CAM | HAM2 | 110.7° | 109.5° |
| SAR | CAP | HAP1 | 108.1° | 109.5° |
| SAR | CAP | HAP2 | 108.7° | 109.5° |
| CAP | SAR | OAF | 110.2° | 109.3° |
| CAP | SAR | OAE | 109.9° | 109.4° |
| CAP | SAR | OAD | 108.9° | 109.3° |
| HAP1 | CAP | HAP2 | 111.4° | 109.4° |
| OAF | SAR | OAE | 109.4° | 109.6° |
| OAF | SAR | OAD | 108.8° | 109.6° |
| OAE | SAR | OAD | 109.7° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAG | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| CAG | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| CAG | CAA | HAA2 | HAA3 | 120.0° | 120.1° |
| CAA | CAG | CAH | HAG1 | 119.2° | 120.0° |
| CAA | CAG | CAH | HAG2 | 120.0° | 120.0° |
| CAA | CAG | HAG1 | HAG2 | 119.5° | 120.1° |
| CAA | CAG | CAH | CAI | 177.1° | 180.0° |
| CAA | CAG | CAH | HAH1 | 62.8° | 60.0° |
| CAA | CAG | CAH | HAH2 | 57.1° | 60.0° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 119.9° |
| HAA1 | CAA | CAG | CAH | 128.0° | 180.0° |
| HAA1 | CAA | CAG | HAG1 | 8.8° | 60.1° |
| HAA1 | CAA | CAG | HAG2 | 112.0° | 60.0° |
| HAA2 | CAA | CAG | CAH | 8.0° | 60.0° |
| HAA2 | CAA | CAG | HAG1 | 111.2° | 59.9° |
| HAA2 | CAA | CAG | HAG2 | 128.0° | 180.0° |
| HAA3 | CAA | CAG | CAH | 112.0° | 60.0° |
| HAA3 | CAA | CAG | HAG1 | 128.7° | 180.0° |
| HAA3 | CAA | CAG | HAG2 | 8.0° | 59.9° |
| CAH | CAG | HAG1 | HAG2 | 119.5° | 120.0° |
| CAG | CAH | CAI | HAH1 | 120.1° | 120.0° |
| CAG | CAH | CAI | HAH2 | 120.0° | 120.0° |
| CAG | CAH | HAH1 | HAH2 | 120.1° | 120.0° |
| CAG | CAH | CAI | CAJ | 128.9° | 180.0° |
| CAG | CAH | CAI | HAI1 | 112.1° | 60.0° |
| CAG | CAH | CAI | HAI2 | 8.9° | 60.0° |
| HAG1 | CAG | CAH | CAI | 57.9° | 60.0° |
| HAG1 | CAG | CAH | HAH1 | 177.9° | 180.0° |
| HAG1 | CAG | CAH | HAH2 | 62.1° | 60.0° |
| HAG2 | CAG | CAH | CAI | 62.9° | 60.0° |
| HAG2 | CAG | CAH | HAH1 | 57.2° | 60.0° |
| HAG2 | CAG | CAH | HAH2 | 177.1° | 180.0° |
| CAI | CAH | HAH1 | HAH2 | 120.0° | 120.0° |
| CAH | CAI | CAJ | HAI1 | 118.9° | 120.0° |
| CAH | CAI | CAJ | HAI2 | 120.0° | 120.0° |
| CAH | CAI | HAI1 | HAI2 | 119.3° | 120.0° |
| CAH | CAI | CAJ | CAK | 89.4° | 180.0° |
| CAH | CAI | CAJ | HAJ1 | 151.6° | 60.0° |
| CAH | CAI | CAJ | HAJ2 | 30.6° | 60.0° |
| HAH1 | CAH | CAI | CAJ | 8.9° | 60.0° |
| HAH1 | CAH | CAI | HAI1 | 127.8° | NaN° |
| HAH1 | CAH | CAI | HAI2 | 111.1° | 60.1° |
| HAH2 | CAH | CAI | CAJ | 111.1° | 60.0° |
| HAH2 | CAH | CAI | HAI1 | 7.9° | 60.0° |
| HAH2 | CAH | CAI | HAI2 | 129.0° | 180.0° |
| CAJ | CAI | HAI1 | HAI2 | 119.3° | 120.0° |
| CAI | CAJ | CAK | HAJ1 | 118.9° | 120.0° |
| CAI | CAJ | CAK | HAJ2 | 120.0° | 120.0° |
| CAI | CAJ | HAJ1 | HAJ2 | 119.3° | 120.0° |
| CAI | CAJ | CAK | CAL | 175.9° | 180.0° |
| CAI | CAJ | CAK | HAK1 | 64.5° | 60.0° |
| CAI | CAJ | CAK | HAK2 | 55.9° | 60.0° |
| HAI1 | CAI | CAJ | CAK | 29.5° | 60.0° |
| HAI1 | CAI | CAJ | HAJ1 | 89.4° | 180.0° |
| HAI1 | CAI | CAJ | HAJ2 | 149.5° | 60.0° |
| HAI2 | CAI | CAJ | CAK | 150.6° | 60.0° |
| HAI2 | CAI | CAJ | HAJ1 | 31.6° | 60.0° |
| HAI2 | CAI | CAJ | HAJ2 | 89.4° | 180.0° |
| CAK | CAJ | HAJ1 | HAJ2 | 119.3° | 120.0° |
| CAJ | CAK | CAL | HAK1 | 119.6° | 120.0° |
| CAJ | CAK | CAL | HAK2 | 120.0° | 120.0° |
| CAJ | CAK | HAK1 | HAK2 | 119.7° | 120.0° |
| CAJ | CAK | CAL | CAN | 131.6° | 180.0° |
| CAJ | CAK | CAL | HAL1 | 109.8° | 60.0° |
| CAJ | CAK | CAL | HAL2 | 11.6° | 60.0° |
| HAJ1 | CAJ | CAK | CAL | 57.0° | 60.0° |
| HAJ1 | CAJ | CAK | HAK1 | 176.5° | 180.0° |
| HAJ1 | CAJ | CAK | HAK2 | 63.0° | 60.1° |
| HAJ2 | CAJ | CAK | CAL | 64.1° | 60.0° |
| HAJ2 | CAJ | CAK | HAK1 | 55.5° | 60.1° |
| HAJ2 | CAJ | CAK | HAK2 | 175.9° | 180.0° |
| CAL | CAK | HAK1 | HAK2 | 119.7° | 120.0° |
| CAK | CAL | CAN | HAL1 | 118.6° | 120.0° |
| CAK | CAL | CAN | HAL2 | 120.0° | 120.0° |
| CAK | CAL | HAL1 | HAL2 | 119.1° | 120.0° |
| CAK | CAL | CAN | NAQ | 165.6° | 180.0° |
| CAK | CAL | CAN | HAN1 | 74.4° | 60.0° |
| CAK | CAL | CAN | HAN2 | 45.6° | 60.0° |
| HAK1 | CAK | CAL | CAN | 12.0° | 60.0° |
| HAK1 | CAK | CAL | HAL1 | 130.6° | 180.0° |
| HAK1 | CAK | CAL | HAL2 | 108.0° | 60.0° |
| HAK2 | CAK | CAL | CAN | 108.4° | 60.0° |
| HAK2 | CAK | CAL | HAL1 | 10.2° | 60.0° |
| HAK2 | CAK | CAL | HAL2 | 131.6° | NaN° |
| CAN | CAL | HAL1 | HAL2 | 119.1° | 120.0° |
| CAL | CAN | NAQ | HAN1 | 120.0° | 120.0° |
| CAL | CAN | NAQ | HAN2 | 120.0° | 120.0° |
| CAL | CAN | HAN1 | HAN2 | 120.0° | 120.0° |
| CAL | CAN | NAQ | CAB | 21.3° | 60.0° |
| CAL | CAN | NAQ | CAC | 99.6° | 60.0° |
| CAL | CAN | NAQ | CAO | 142.8° | 180.0° |
| HAL1 | CAL | CAN | NAQ | 46.9° | 60.0° |
| HAL1 | CAL | CAN | HAN1 | 166.9° | 180.0° |
| HAL1 | CAL | CAN | HAN2 | 73.1° | 60.0° |
| HAL2 | CAL | CAN | NAQ | 74.4° | 59.9° |
| HAL2 | CAL | CAN | HAN1 | 45.6° | 60.1° |
| HAL2 | CAL | CAN | HAN2 | 165.6° | 180.0° |
| NAQ | CAN | HAN1 | HAN2 | 120.0° | 120.1° |
| CAN | NAQ | CAB | CAC | 121.4° | 120.0° |
| CAN | NAQ | CAB | CAO | 120.1° | 119.9° |
| CAN | NAQ | CAC | CAO | 117.6° | 120.0° |
| CAN | NAQ | CAB | HAB1 | 46.6° | 60.1° |
| CAN | NAQ | CAB | HAB2 | 166.6° | 180.0° |
| CAN | NAQ | CAB | HAB3 | 73.4° | 60.0° |
| CAN | NAQ | CAC | HAC1 | 105.3° | 60.0° |
| CAN | NAQ | CAC | HAC2 | 14.7° | 180.0° |
| CAN | NAQ | CAC | HAC3 | 134.8° | 60.0° |
| CAN | NAQ | CAO | CAM | 13.3° | 180.0° |
| CAN | NAQ | CAO | HAO1 | 133.5° | 60.0° |
| CAN | NAQ | CAO | HAO2 | 106.7° | 60.0° |
| HAN1 | CAN | NAQ | CAB | 141.3° | 180.0° |
| HAN1 | CAN | NAQ | CAC | 20.4° | 60.0° |
| HAN1 | CAN | NAQ | CAO | 97.2° | 60.1° |
| HAN2 | CAN | NAQ | CAB | 98.6° | 59.9° |
| HAN2 | CAN | NAQ | CAC | 140.4° | 180.0° |
| HAN2 | CAN | NAQ | CAO | 22.9° | 60.0° |
| CAB | NAQ | CAC | CAO | 120.1° | 120.0° |
| NAQ | CAB | HAB1 | HAB2 | 120.0° | 120.0° |
| NAQ | CAB | HAB1 | HAB3 | 120.0° | 120.0° |
| NAQ | CAB | HAB2 | HAB3 | 120.0° | 120.0° |
| CAB | NAQ | CAC | HAC1 | 17.0° | 180.0° |
| CAB | NAQ | CAC | HAC2 | 137.0° | 60.0° |
| CAB | NAQ | CAC | HAC3 | 103.0° | 60.0° |
| CAB | NAQ | CAO | CAM | 108.7° | 60.0° |
| CAB | NAQ | CAO | HAO1 | 11.5° | 180.0° |
| CAB | NAQ | CAO | HAO2 | 131.3° | 60.0° |
| CAC | NAQ | CAB | HAB1 | 74.8° | 60.0° |
| CAC | NAQ | CAB | HAB2 | 45.2° | 60.0° |
| CAC | NAQ | CAB | HAB3 | 165.2° | 180.0° |
| NAQ | CAC | HAC1 | HAC2 | 120.0° | 120.0° |
| NAQ | CAC | HAC1 | HAC3 | 120.0° | 120.0° |
| NAQ | CAC | HAC2 | HAC3 | 120.1° | 120.0° |
| CAC | NAQ | CAO | CAM | 132.1° | 60.0° |
| CAC | NAQ | CAO | HAO1 | 107.8° | 60.0° |
| CAC | NAQ | CAO | HAO2 | 12.1° | 180.0° |
| CAO | NAQ | CAB | HAB1 | 166.6° | 180.0° |
| CAO | NAQ | CAB | HAB2 | 73.4° | 60.0° |
| CAO | NAQ | CAB | HAB3 | 46.6° | 59.9° |
| CAO | NAQ | CAC | HAC1 | 137.1° | 60.0° |
| CAO | NAQ | CAC | HAC2 | 102.9° | 60.0° |
| CAO | NAQ | CAC | HAC3 | 17.1° | 180.0° |
| NAQ | CAO | CAM | HAO1 | 120.2° | 119.9° |
| NAQ | CAO | CAM | HAO2 | 120.0° | 120.0° |
| NAQ | CAO | HAO1 | HAO2 | 120.1° | 120.0° |
| NAQ | CAO | CAM | CAP | 124.6° | 180.0° |
| NAQ | CAO | CAM | HAM1 | 116.0° | 60.0° |
| NAQ | CAO | CAM | HAM2 | 4.7° | 60.0° |
| HAB1 | CAB | HAB2 | HAB3 | 120.0° | 120.1° |
| HAC1 | CAC | HAC2 | HAC3 | 120.0° | 120.0° |
| CAM | CAO | HAO1 | HAO2 | 120.2° | 120.1° |
| CAO | CAM | CAP | HAM1 | 119.4° | 120.0° |
| CAO | CAM | CAP | HAM2 | 120.0° | 120.0° |
| CAO | CAM | HAM1 | HAM2 | 119.6° | 120.0° |
| CAO | CAM | CAP | SAR | 97.3° | 180.0° |
| CAO | CAM | CAP | HAP1 | 143.7° | 60.0° |
| CAO | CAM | CAP | HAP2 | 22.6° | 60.0° |
| HAO1 | CAO | CAM | CAP | 4.5° | 60.0° |
| HAO1 | CAO | CAM | HAM1 | 123.8° | 180.0° |
| HAO1 | CAO | CAM | HAM2 | 115.5° | 59.9° |
| HAO2 | CAO | CAM | CAP | 115.4° | 60.0° |
| HAO2 | CAO | CAM | HAM1 | 4.0° | 60.0° |
| HAO2 | CAO | CAM | HAM2 | 124.6° | 180.0° |
| CAP | CAM | HAM1 | HAM2 | 119.6° | 119.9° |
| CAM | CAP | SAR | HAP1 | 119.0° | 120.0° |
| CAM | CAP | SAR | HAP2 | 120.0° | 120.0° |
| CAM | CAP | HAP1 | HAP2 | 119.3° | 120.0° |
| CAM | CAP | SAR | OAF | 168.0° | 60.0° |
| CAM | CAP | SAR | OAE | 47.4° | 180.0° |
| CAM | CAP | SAR | OAD | 72.8° | 60.0° |
| HAM1 | CAM | CAP | SAR | 22.0° | 60.0° |
| HAM1 | CAM | CAP | HAP1 | 96.9° | 180.0° |
| HAM1 | CAM | CAP | HAP2 | 142.0° | 60.1° |
| HAM2 | CAM | CAP | SAR | 142.7° | 60.0° |
| HAM2 | CAM | CAP | HAP1 | 23.7° | 60.0° |
| HAM2 | CAM | CAP | HAP2 | 97.3° | 180.0° |
| SAR | CAP | HAP1 | HAP2 | 119.3° | 120.0° |
| CAP | SAR | OAF | OAE | 121.0° | 119.9° |
| CAP | SAR | OAF | OAD | 119.3° | 119.8° |
| CAP | SAR | OAE | OAD | 119.7° | 119.8° |
| HAP1 | CAP | SAR | OAF | 49.0° | 60.0° |
| HAP1 | CAP | SAR | OAE | 71.6° | 60.0° |
| HAP1 | CAP | SAR | OAD | 168.2° | 180.0° |
| HAP2 | CAP | SAR | OAF | 72.0° | 180.0° |
| HAP2 | CAP | SAR | OAE | 167.3° | 60.0° |
| HAP2 | CAP | SAR | OAD | 47.2° | 60.0° |
| OAF | SAR | OAE | OAD | 119.2° | 120.4° |
