IZZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAR | CAT | sing | 1.43Å | 1.39Å | |
| CAT | CAM | sing | 1.53Å | 1.57Å | |
| CAM | CAO | sing | 1.53Å | 1.54Å | |
| CAM | NAJ | sing | 1.47Å | 1.47Å | |
| CAO | CAW | sing | 1.53Å | 1.53Å | |
| CAO | CAV | sing | 1.53Å | 1.54Å | |
| NAJ | CAG | sing | 1.39Å | 1.37Å | |
| CAG | CAK | sing | 1.41Å | 1.36Å | Aromatic |
| CAG | NAC | doub | 1.31Å | 1.35Å | Aromatic |
| CAK | CAI | doub | 1.36Å | 1.40Å | Aromatic |
| CAI | CAD | sing | 1.41Å | 1.41Å | Aromatic |
| NAC | NAA | sing | 1.40Å | 1.27Å | Aromatic |
| NAA | CAD | sing | 1.37Å | 1.34Å | Aromatic |
| NAA | CAB | sing | 1.37Å | 1.39Å | Aromatic |
| CAD | NAE | doub | 1.33Å | 1.34Å | Aromatic |
| NAE | CAF | sing | 1.33Å | 1.32Å | Aromatic |
| CAF | CAB | doub | 1.38Å | 1.37Å | Aromatic |
| CAB | CAH | sing | 1.48Å | 1.39Å | Aromatic |
| CAH | CAL | doub | 1.40Å | 1.41Å | Aromatic |
| CAH | CAQ | sing | 1.40Å | 1.41Å | Aromatic |
| CAL | CAN | sing | 1.39Å | 1.40Å | Aromatic |
| CAQ | CAS | doub | 1.38Å | 1.39Å | Aromatic |
| CAS | CAU | sing | 1.38Å | 1.41Å | Aromatic |
| CAU | CAN | doub | 1.39Å | 1.41Å | Aromatic |
| CAN | NAP | sing | 1.40Å | 1.40Å | |
| OAR | HOAR | sing | 0.97Å | 0.95Å | |
| CAT | HAT | sing | 1.09Å | 1.10Å | |
| CAT | HATA | sing | 1.09Å | 1.10Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAO | HAO | sing | 1.09Å | 1.10Å | |
| CAW | HAW | sing | 1.09Å | 1.10Å | |
| CAW | HAWA | sing | 1.09Å | 1.10Å | |
| CAW | HAWB | sing | 1.09Å | 1.10Å | |
| CAV | HAV | sing | 1.09Å | 1.10Å | |
| CAV | HAVA | sing | 1.09Å | 1.10Å | |
| CAV | HAVB | sing | 1.09Å | 1.10Å | |
| NAJ | HNAJ | sing | 0.97Å | 1.00Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| CAS | HAS | sing | 1.08Å | 1.08Å | |
| CAU | HAU | sing | 1.08Å | 1.08Å | |
| NAP | HNAP | sing | 0.97Å | 1.00Å | |
| NAP | HNAA | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAR | CAT | CAM | 107.0° | 109.4° |
| CAT | OAR | HOAR | 109.5° | 113.9° |
| OAR | CAT | HAT | 110.3° | 109.5° |
| OAR | CAT | HATA | 110.9° | 109.5° |
| CAT | CAM | CAO | 110.0° | 109.5° |
| CAT | CAM | NAJ | 111.7° | 109.5° |
| CAM | CAT | HAT | 110.3° | 109.5° |
| CAM | CAT | HATA | 110.9° | 109.5° |
| CAT | CAM | HAM | 108.5° | 109.5° |
| CAO | CAM | NAJ | 112.0° | 109.5° |
| CAM | CAO | CAW | 110.4° | 109.4° |
| CAM | CAO | CAV | 110.8° | 109.5° |
| CAO | CAM | HAM | 108.1° | 109.5° |
| CAM | CAO | HAO | 108.8° | 109.4° |
| CAM | NAJ | CAG | 119.3° | 120.0° |
| NAJ | CAM | HAM | 106.2° | 109.4° |
| CAM | NAJ | HNAJ | 106.4° | 120.0° |
| CAW | CAO | CAV | 112.1° | 109.5° |
| CAW | CAO | HAO | 107.5° | 109.5° |
| CAO | CAW | HAW | 109.5° | 109.5° |
| CAO | CAW | HAWA | 109.5° | 109.5° |
| CAO | CAW | HAWB | 109.5° | 109.4° |
| CAV | CAO | HAO | 107.1° | 109.5° |
| CAO | CAV | HAV | 109.5° | 109.4° |
| CAO | CAV | HAVA | 109.5° | 109.5° |
| CAO | CAV | HAVB | 109.5° | 109.5° |
| NAJ | CAG | CAK | 120.5° | 119.7° |
| NAJ | CAG | NAC | 120.8° | 119.6° |
| CAG | NAJ | HNAJ | 106.3° | 120.0° |
| CAK | CAG | NAC | 118.6° | 120.7° |
| CAG | CAK | CAI | 120.6° | 120.1° |
| CAG | CAK | HAK | 119.7° | 119.9° |
| CAG | NAC | NAA | 122.0° | 120.6° |
| CAK | CAI | CAD | 116.9° | 119.3° |
| CAI | CAK | HAK | 119.7° | 120.0° |
| CAK | CAI | HAI | 121.5° | 120.3° |
| CAI | CAD | NAA | 118.2° | 119.2° |
| CAI | CAD | NAE | 131.3° | 132.3° |
| CAD | CAI | HAI | 121.5° | 120.4° |
| NAC | NAA | CAD | 123.6° | 120.2° |
| NAC | NAA | CAB | 131.1° | 132.7° |
| CAD | NAA | CAB | 105.1° | 107.1° |
| NAA | CAD | NAE | 110.5° | 108.5° |
| NAA | CAB | CAF | 108.0° | 106.7° |
| NAA | CAB | CAH | 120.8° | 126.7° |
| CAD | NAE | CAF | 108.6° | 109.5° |
| NAE | CAF | CAB | 107.8° | 108.2° |
| NAE | CAF | HAF | 126.1° | 125.9° |
| CAF | CAB | CAH | 131.2° | 126.6° |
| CAB | CAF | HAF | 126.1° | 125.9° |
| CAB | CAH | CAL | 120.2° | 120.1° |
| CAB | CAH | CAQ | 121.7° | 120.1° |
| CAL | CAH | CAQ | 118.1° | 119.8° |
| CAH | CAL | CAN | 120.3° | 119.8° |
| CAH | CAL | HAL | 119.9° | 120.2° |
| CAH | CAQ | CAS | 122.1° | 120.0° |
| CAH | CAQ | HAQ | 119.0° | 120.0° |
| CAL | CAN | CAU | 120.7° | 120.0° |
| CAL | CAN | NAP | 119.5° | 120.0° |
| CAN | CAL | HAL | 119.9° | 120.1° |
| CAQ | CAS | CAU | 119.4° | 120.2° |
| CAS | CAQ | HAQ | 119.0° | 120.0° |
| CAQ | CAS | HAS | 120.3° | 119.9° |
| CAS | CAU | CAN | 119.5° | 120.2° |
| CAU | CAS | HAS | 120.3° | 119.9° |
| CAS | CAU | HAU | 120.2° | 119.9° |
| CAU | CAN | NAP | 119.8° | 120.0° |
| CAN | CAU | HAU | 120.3° | 119.9° |
| CAN | NAP | HNAP | 109.5° | 120.0° |
| CAN | NAP | HNAA | 109.5° | 120.0° |
| HAT | CAT | HATA | 107.6° | 109.5° |
| HAW | CAW | HAWA | 109.5° | 109.5° |
| HAW | CAW | HAWB | 109.4° | 109.5° |
| HAWA | CAW | HAWB | 109.5° | 109.5° |
| HAV | CAV | HAVA | 109.4° | 109.5° |
| HAV | CAV | HAVB | 109.4° | 109.4° |
| HAVA | CAV | HAVB | 109.5° | 109.5° |
| HNAP | NAP | HNAA | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAR | CAT | CAM | HAT | 120.0° | 120.0° |
| OAR | CAT | CAM | HATA | 121.0° | 120.0° |
| OAR | CAT | CAM | CAO | 178.1° | 55.4° |
| OAR | CAT | CAM | NAJ | 53.0° | 64.7° |
| OAR | CAT | HAT | HATA | 121.0° | 120.0° |
| OAR | CAT | CAM | HAM | 63.8° | 175.4° |
| CAT | CAM | CAO | NAJ | 124.9° | 120.0° |
| CAT | CAM | CAO | HAM | 118.3° | 120.0° |
| CAT | CAM | NAJ | HAM | 118.2° | 120.0° |
| CAT | CAM | CAO | CAW | 52.1° | 62.9° |
| CAT | CAM | CAO | CAV | 72.6° | 177.1° |
| CAT | CAM | NAJ | CAG | 155.9° | 84.9° |
| CAM | CAT | OAR | HOAR | 147.0° | 180.0° |
| CAM | CAT | HAT | HATA | 121.0° | 120.1° |
| CAT | CAM | CAO | HAO | 169.9° | 57.1° |
| CAT | CAM | NAJ | HNAJ | 35.9° | 95.0° |
| CAO | CAM | NAJ | HAM | 117.9° | 120.0° |
| CAM | CAO | CAW | CAV | 124.0° | 120.0° |
| CAM | CAO | CAW | HAO | 118.6° | 120.0° |
| CAM | CAO | CAV | HAO | 118.6° | 120.0° |
| CAO | CAM | NAJ | CAG | 80.1° | 155.0° |
| CAO | CAM | CAT | HAT | 58.1° | 64.6° |
| CAO | CAM | CAT | HATA | 60.9° | 175.3° |
| CAM | CAO | CAW | HAW | 70.1° | 63.1° |
| CAM | CAO | CAW | HAWA | 169.9° | 176.9° |
| CAM | CAO | CAW | HAWB | 49.9° | 56.9° |
| CAM | CAO | CAV | HAV | 153.8° | 60.0° |
| CAM | CAO | CAV | HAVA | 86.2° | 180.0° |
| CAM | CAO | CAV | HAVB | 33.8° | 60.0° |
| CAO | CAM | NAJ | HNAJ | 159.9° | 25.1° |
| NAJ | CAM | CAO | CAW | 72.8° | 177.1° |
| NAJ | CAM | CAO | CAV | 162.4° | 57.1° |
| CAM | NAJ | CAG | HNAJ | 120.0° | 179.9° |
| CAM | NAJ | CAG | CAK | 154.5° | 180.0° |
| CAM | NAJ | CAG | NAC | 22.8° | 0.4° |
| NAJ | CAM | CAT | HAT | 67.0° | 175.4° |
| NAJ | CAM | CAT | HATA | 174.0° | 55.3° |
| NAJ | CAM | CAO | HAO | 44.9° | 62.9° |
| CAW | CAO | CAV | HAO | 117.6° | 120.1° |
| CAW | CAO | CAM | HAM | 170.4° | 57.2° |
| CAO | CAW | HAW | HAWA | 120.0° | 120.0° |
| CAO | CAW | HAW | HAWB | 120.0° | 120.0° |
| CAO | CAW | HAWA | HAWB | 120.0° | 120.0° |
| CAW | CAO | CAV | HAV | 82.4° | 180.0° |
| CAW | CAO | CAV | HAVA | 37.6° | 60.0° |
| CAW | CAO | CAV | HAVB | 157.6° | 60.0° |
| CAV | CAO | CAM | HAM | 45.7° | 62.8° |
| CAV | CAO | CAW | HAW | 53.9° | 56.9° |
| CAV | CAO | CAW | HAWA | 66.1° | 63.1° |
| CAV | CAO | CAW | HAWB | 173.9° | 176.9° |
| CAO | CAV | HAV | HAVA | 120.0° | 120.0° |
| CAO | CAV | HAV | HAVB | 120.0° | 120.0° |
| CAO | CAV | HAVA | HAVB | 120.0° | 120.0° |
| NAJ | CAG | CAK | NAC | 177.3° | 179.7° |
| NAJ | CAG | CAK | CAI | 179.3° | 180.0° |
| NAJ | CAG | NAC | NAA | 179.4° | 180.0° |
| CAG | NAJ | CAM | HAM | 37.8° | 35.1° |
| NAJ | CAG | CAK | HAK | 0.6° | 0.1° |
| CAG | CAK | CAI | HAK | 180.0° | 179.9° |
| CAG | CAK | CAI | CAD | 2.0° | 0.0° |
| CAK | CAG | NAC | NAA | 2.1° | 0.3° |
| CAK | CAG | NAJ | HNAJ | 34.4° | 0.1° |
| CAG | CAK | CAI | HAI | 178.0° | 180.0° |
| NAC | CAG | CAK | CAI | 2.0° | 0.3° |
| CAG | NAC | NAA | CAD | 2.2° | 0.1° |
| CAG | NAC | NAA | CAB | 177.2° | 180.0° |
| NAC | CAG | NAJ | HNAJ | 142.8° | 179.7° |
| NAC | CAG | CAK | HAK | 177.9° | 179.8° |
| CAK | CAI | CAD | HAI | 180.0° | 180.0° |
| CAK | CAI | CAD | NAA | 1.9° | 0.2° |
| CAK | CAI | CAD | NAE | 174.2° | 180.0° |
| CAI | CAD | NAA | NAC | 2.1° | 0.2° |
| CAI | CAD | NAA | NAE | 176.9° | 179.8° |
| CAI | CAD | NAA | CAB | 178.2° | 179.7° |
| CAI | CAD | NAE | CAF | 178.4° | 180.0° |
| CAD | CAI | CAK | HAK | 178.0° | 180.0° |
| NAC | NAA | CAD | CAB | 176.2° | 179.9° |
| NAC | NAA | CAD | NAE | 174.8° | 180.0° |
| NAC | NAA | CAB | CAF | 175.5° | 179.8° |
| NAC | NAA | CAB | CAH | 3.9° | 0.1° |
| NAA | CAD | NAE | CAF | 2.0° | 0.2° |
| CAD | NAA | CAB | CAF | 0.2° | 0.3° |
| CAD | NAA | CAB | CAH | 179.6° | 180.0° |
| NAA | CAD | CAI | HAI | 178.1° | 179.8° |
| CAB | NAA | CAD | NAE | 1.4° | 0.1° |
| NAA | CAB | CAF | NAE | 1.0° | 0.5° |
| NAA | CAB | CAF | CAH | 179.3° | 179.7° |
| NAA | CAB | CAH | CAL | 140.8° | 175.0° |
| NAA | CAB | CAH | CAQ | 38.8° | 4.7° |
| NAA | CAB | CAF | HAF | 179.0° | 179.9° |
| CAD | NAE | CAF | CAB | 1.8° | 0.4° |
| NAE | CAD | CAI | HAI | 5.8° | 0.0° |
| CAD | NAE | CAF | HAF | 178.1° | 179.9° |
| NAE | CAF | CAB | HAF | 180.0° | 179.6° |
| NAE | CAF | CAB | CAH | 178.3° | 179.8° |
| CAF | CAB | CAH | CAL | 38.4° | 5.3° |
| CAF | CAB | CAH | CAQ | 141.9° | 174.9° |
| CAB | CAH | CAL | CAQ | 179.7° | 179.7° |
| CAB | CAH | CAL | CAN | 179.4° | 180.0° |
| CAB | CAH | CAQ | CAS | 179.9° | 180.0° |
| CAH | CAB | CAF | HAF | 1.7° | 0.2° |
| CAB | CAH | CAL | HAL | 0.6° | 0.0° |
| CAB | CAH | CAQ | HAQ | 0.1° | 0.0° |
| CAH | CAL | CAN | HAL | 180.0° | 180.0° |
| CAL | CAH | CAQ | CAS | 0.2° | 0.3° |
| CAH | CAL | CAN | CAU | 0.7° | 0.0° |
| CAH | CAL | CAN | NAP | 179.4° | 180.0° |
| CAL | CAH | CAQ | HAQ | 179.8° | 179.7° |
| CAQ | CAH | CAL | CAN | 0.3° | 0.3° |
| CAH | CAQ | CAS | HAQ | 180.0° | 180.0° |
| CAH | CAQ | CAS | CAU | 0.2° | 0.0° |
| CAQ | CAH | CAL | HAL | 179.7° | 179.8° |
| CAH | CAQ | CAS | HAS | 179.7° | 179.9° |
| CAL | CAN | CAU | CAS | 0.6° | 0.3° |
| CAL | CAN | CAU | NAP | 180.0° | 180.0° |
| CAL | CAN | CAU | HAU | 179.4° | 179.9° |
| CAL | CAN | NAP | HNAP | 67.9° | 0.0° |
| CAL | CAN | NAP | HNAA | 172.1° | 180.0° |
| CAQ | CAS | CAU | HAS | 180.0° | 180.0° |
| CAQ | CAS | CAU | CAN | 0.2° | 0.3° |
| CAQ | CAS | CAU | HAU | 179.8° | 180.0° |
| CAS | CAU | CAN | HAU | 180.0° | 179.6° |
| CAS | CAU | CAN | NAP | 179.4° | 179.7° |
| CAU | CAS | CAQ | HAQ | 179.7° | 180.0° |
| CAU | CAN | CAL | HAL | 179.3° | 179.9° |
| CAN | CAU | CAS | HAS | 179.9° | 179.6° |
| CAU | CAN | NAP | HNAP | 112.1° | 180.0° |
| CAU | CAN | NAP | HNAA | 7.9° | 0.0° |
| NAP | CAN | CAL | HAL | 0.7° | 0.0° |
| NAP | CAN | CAU | HAU | 0.6° | 0.1° |
| CAN | NAP | HNAP | HNAA | 120.0° | 179.9° |
| HOAR | OAR | CAT | HAT | 93.0° | 60.0° |
| HOAR | OAR | CAT | HATA | 26.1° | 60.0° |
| HAT | CAT | CAM | HAM | 176.2° | 55.4° |
| HATA | CAT | CAM | HAM | 57.2° | 64.6° |
| HAM | CAM | CAO | HAO | 71.8° | 177.2° |
| HAM | CAM | NAJ | HNAJ | 82.2° | 145.0° |
| HAO | CAO | CAW | HAW | 171.3° | 177.0° |
| HAO | CAO | CAW | HAWA | 51.3° | 56.9° |
| HAO | CAO | CAW | HAWB | 68.7° | 63.0° |
| HAO | CAO | CAV | HAV | 35.2° | 60.0° |
| HAO | CAO | CAV | HAVA | 155.3° | 60.0° |
| HAO | CAO | CAV | HAVB | 84.7° | 179.9° |
| HAW | CAW | HAWA | HAWB | 120.0° | 120.0° |
| HAV | CAV | HAVA | HAVB | 119.9° | 120.0° |
| HAK | CAK | CAI | HAI | 2.0° | 0.1° |
| HAQ | CAQ | CAS | HAS | 0.3° | 0.0° |
| HAS | CAS | CAU | HAU | 0.2° | 0.0° |
