ZK1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAT | OAA | doub | 1.22Å | 1.41Å | |
| CAU | OAB | doub | 1.21Å | 1.40Å | |
| OAC | PBA | doub | 1.48Å | 1.46Å | |
| OAD | PBA | sing | 1.61Å | 1.65Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å | |
| PBA | OAE | sing | 1.61Å | 1.65Å | |
| OAE | HOAE | sing | 0.97Å | 0.95Å | |
| FAF | CAZ | sing | 1.40Å | 1.37Å | |
| CAZ | FAG | sing | 1.40Å | 1.36Å | |
| CAZ | FAH | sing | 1.40Å | 1.36Å | |
| CAR | CAI | doub | 1.39Å | 1.42Å | Aromatic |
| CAI | CAW | sing | 1.39Å | 1.42Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAS | CAJ | doub | 1.38Å | 1.44Å | Aromatic |
| CAJ | CAV | sing | 1.39Å | 1.41Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | CAM | sing | 1.53Å | 1.50Å | |
| CAK | OAQ | sing | 1.43Å | 1.38Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAK | HAKA | sing | 1.09Å | 1.10Å | |
| OAQ | CAL | sing | 1.43Å | 1.40Å | |
| CAL | CAN | sing | 1.53Å | 1.55Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAL | HALA | sing | 1.09Å | 1.10Å | |
| CAM | NAX | sing | 1.47Å | 1.50Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAM | HAMA | sing | 1.09Å | 1.10Å | |
| NAX | CAN | sing | 1.47Å | 1.49Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| CAN | HANA | sing | 1.09Å | 1.10Å | |
| PBA | CAO | sing | 1.82Å | 1.86Å | |
| NAY | CAO | sing | 1.46Å | 1.46Å | |
| CAO | HAO | sing | 1.09Å | 1.10Å | |
| CAO | HAOA | sing | 1.09Å | 1.10Å | |
| CAV | NAP | sing | 1.39Å | 1.38Å | |
| NAP | CAT | sing | 1.35Å | 1.44Å | |
| NAP | HNAP | sing | 0.97Å | 1.00Å | |
| NAX | CAR | sing | 1.40Å | 1.45Å | |
| CAS | CAR | sing | 1.39Å | 1.41Å | Aromatic |
| CAZ | CAS | sing | 1.51Å | 1.53Å | |
| CAT | CAU | sing | 1.49Å | 1.45Å | |
| NAY | CAU | sing | 1.35Å | 1.35Å | |
| CAV | CAW | doub | 1.40Å | 1.42Å | Aromatic |
| CAW | NAY | sing | 1.39Å | 1.46Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAT | NAP | 120.0° | 120.3° |
| OAA | CAT | CAU | 119.9° | 120.3° |
| OAB | CAU | CAT | 120.1° | 120.3° |
| OAB | CAU | NAY | 120.1° | 120.3° |
| OAC | PBA | OAD | 109.2° | 109.5° |
| OAC | PBA | OAE | 109.7° | 109.5° |
| OAC | PBA | CAO | 109.0° | 109.5° |
| PBA | OAD | HOAD | 109.5° | 114.0° |
| OAD | PBA | OAE | 109.7° | 109.5° |
| OAD | PBA | CAO | 109.6° | 109.5° |
| PBA | OAE | HOAE | 109.5° | 114.0° |
| OAE | PBA | CAO | 109.6° | 109.4° |
| FAF | CAZ | FAG | 109.4° | 109.5° |
| FAF | CAZ | FAH | 109.6° | 109.5° |
| FAF | CAZ | CAS | 109.7° | 109.4° |
| FAG | CAZ | FAH | 109.0° | 109.5° |
| FAG | CAZ | CAS | 109.3° | 109.5° |
| FAH | CAZ | CAS | 109.9° | 109.5° |
| CAR | CAI | CAW | 120.0° | 119.9° |
| CAR | CAI | HAI | 120.0° | 120.0° |
| CAI | CAR | NAX | 119.0° | 119.9° |
| CAI | CAR | CAS | 120.1° | 120.1° |
| CAW | CAI | HAI | 120.0° | 120.1° |
| CAI | CAW | CAV | 120.2° | 119.8° |
| CAI | CAW | NAY | 119.7° | 119.6° |
| CAS | CAJ | CAV | 120.3° | 120.1° |
| CAS | CAJ | HAJ | 119.9° | 120.0° |
| CAJ | CAS | CAR | 119.6° | 120.2° |
| CAJ | CAS | CAZ | 119.6° | 119.9° |
| CAV | CAJ | HAJ | 119.8° | 119.9° |
| CAJ | CAV | NAP | 120.4° | 119.6° |
| CAJ | CAV | CAW | 119.8° | 119.8° |
| CAM | CAK | OAQ | 110.3° | 109.2° |
| CAM | CAK | HAK | 109.2° | 109.5° |
| CAM | CAK | HAKA | 109.2° | 109.5° |
| CAK | CAM | NAX | 113.0° | 109.3° |
| CAK | CAM | HAM | 108.3° | 109.5° |
| CAK | CAM | HAMA | 108.3° | 109.5° |
| OAQ | CAK | HAK | 109.1° | 109.5° |
| OAQ | CAK | HAKA | 109.2° | 109.5° |
| CAK | OAQ | CAL | 111.3° | 113.8° |
| HAK | CAK | HAKA | 109.8° | 109.5° |
| OAQ | CAL | CAN | 111.1° | 109.3° |
| OAQ | CAL | HAL | 108.9° | 109.5° |
| OAQ | CAL | HALA | 108.9° | 109.6° |
| CAN | CAL | HAL | 108.9° | 109.5° |
| CAN | CAL | HALA | 108.9° | 109.5° |
| CAL | CAN | NAX | 113.3° | 109.2° |
| CAL | CAN | HAN | 108.2° | 109.5° |
| CAL | CAN | HANA | 108.2° | 109.5° |
| HAL | CAL | HALA | 110.0° | 109.5° |
| NAX | CAM | HAM | 108.3° | 109.5° |
| NAX | CAM | HAMA | 108.3° | 109.5° |
| CAM | NAX | CAN | 121.6° | 110.7° |
| CAM | NAX | CAR | 119.3° | 111.0° |
| HAM | CAM | HAMA | 110.6° | 109.5° |
| NAX | CAN | HAN | 108.2° | 109.5° |
| NAX | CAN | HANA | 108.2° | 109.5° |
| CAN | NAX | CAR | 118.9° | 111.0° |
| HAN | CAN | HANA | 110.7° | 109.5° |
| PBA | CAO | NAY | 116.4° | 109.5° |
| PBA | CAO | HAO | 107.3° | 109.5° |
| PBA | CAO | HAOA | 107.2° | 109.4° |
| NAY | CAO | HAO | 107.2° | 109.4° |
| NAY | CAO | HAOA | 107.2° | 109.5° |
| CAO | NAY | CAU | 120.4° | 120.0° |
| CAO | NAY | CAW | 119.5° | 120.0° |
| HAO | CAO | HAOA | 111.6° | 109.5° |
| CAV | NAP | CAT | 120.0° | 120.0° |
| CAV | NAP | HNAP | 120.0° | 120.0° |
| NAP | CAV | CAW | 119.9° | 120.6° |
| CAT | NAP | HNAP | 120.0° | 119.9° |
| NAP | CAT | CAU | 120.1° | 119.3° |
| NAX | CAR | CAS | 120.9° | 119.9° |
| CAR | CAS | CAZ | 120.8° | 119.9° |
| CAT | CAU | NAY | 119.8° | 119.4° |
| CAU | NAY | CAW | 120.1° | 120.0° |
| CAV | CAW | NAY | 120.1° | 120.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAT | CAU | OAB | 0.0° | 0.6° |
| OAA | CAT | NAP | CAV | 179.9° | 179.0° |
| OAA | CAT | NAP | CAU | 180.0° | 180.0° |
| OAA | CAT | NAP | HNAP | 0.2° | 0.1° |
| OAA | CAT | CAU | NAY | 179.7° | 179.5° |
| OAB | CAU | NAY | CAO | 0.9° | 0.0° |
| OAB | CAU | CAT | NAP | 179.9° | 179.4° |
| OAB | CAU | CAT | NAY | 179.7° | 180.0° |
| OAB | CAU | NAY | CAW | 180.0° | 179.9° |
| OAC | PBA | OAD | OAE | 120.2° | 120.0° |
| OAC | PBA | OAD | CAO | 119.4° | 120.0° |
| OAC | PBA | OAD | HOAD | 0.0° | 60.0° |
| OAC | PBA | OAE | CAO | 119.7° | 120.0° |
| OAC | PBA | OAE | HOAE | 0.0° | 180.0° |
| OAC | PBA | CAO | NAY | 10.5° | 55.0° |
| OAC | PBA | CAO | HAO | 130.5° | 175.0° |
| OAC | PBA | CAO | HAOA | 109.5° | 65.0° |
| OAD | PBA | OAE | CAO | 120.4° | 120.0° |
| OAD | PBA | OAE | HOAE | 120.0° | 60.0° |
| OAD | PBA | CAO | NAY | 130.1° | 175.0° |
| OAD | PBA | CAO | HAO | 109.9° | 65.0° |
| OAD | PBA | CAO | HAOA | 10.1° | 55.0° |
| HOAD | OAD | PBA | OAE | 120.2° | 60.0° |
| HOAD | OAD | PBA | CAO | 119.4° | 180.0° |
| OAE | PBA | CAO | NAY | 109.5° | 65.0° |
| OAE | PBA | CAO | HAO | 10.5° | 55.0° |
| OAE | PBA | CAO | HAOA | 130.4° | 175.0° |
| HOAE | OAE | PBA | CAO | 119.6° | 60.1° |
| FAF | CAZ | FAG | FAH | 119.8° | 120.0° |
| FAF | CAZ | FAG | CAS | 120.1° | 119.9° |
| FAF | CAZ | FAH | CAS | 120.6° | 120.0° |
| FAF | CAZ | CAS | CAJ | 97.8° | 0.0° |
| FAF | CAZ | CAS | CAR | 82.4° | 180.0° |
| FAG | CAZ | FAH | CAS | 119.7° | 120.0° |
| FAG | CAZ | CAS | CAJ | 22.1° | 120.0° |
| FAG | CAZ | CAS | CAR | 157.7° | 60.0° |
| FAH | CAZ | CAS | CAJ | 141.7° | 120.0° |
| FAH | CAZ | CAS | CAR | 38.1° | 60.0° |
| CAR | CAI | CAW | HAI | 180.0° | 179.8° |
| CAI | CAR | CAS | CAJ | 0.1° | 0.0° |
| CAI | CAR | NAX | CAM | 103.2° | 60.0° |
| CAI | CAR | NAX | CAN | 72.5° | 63.7° |
| CAI | CAR | NAX | CAS | 179.7° | 180.0° |
| CAI | CAR | CAS | CAZ | 179.7° | 180.0° |
| CAR | CAI | CAW | CAV | 0.1° | 0.3° |
| CAR | CAI | CAW | NAY | 179.9° | 179.7° |
| CAI | CAW | CAV | CAJ | 0.1° | 0.6° |
| CAI | CAW | NAY | CAO | 0.8° | 0.1° |
| CAI | CAW | CAV | NAP | 180.0° | 179.5° |
| CAW | CAI | CAR | NAX | 179.8° | 180.0° |
| CAW | CAI | CAR | CAS | 0.1° | 0.0° |
| CAI | CAW | NAY | CAU | 179.9° | 180.0° |
| CAI | CAW | CAV | NAY | 179.9° | 180.0° |
| HAI | CAI | CAR | NAX | 0.2° | 0.2° |
| HAI | CAI | CAR | CAS | 179.9° | 179.7° |
| HAI | CAI | CAW | CAV | 179.9° | 180.0° |
| HAI | CAI | CAW | NAY | 0.0° | 0.0° |
| CAS | CAJ | CAV | HAJ | 180.0° | 179.5° |
| CAS | CAJ | CAV | NAP | 180.0° | 179.5° |
| CAJ | CAS | CAR | NAX | 179.8° | 180.0° |
| CAJ | CAS | CAR | CAZ | 179.8° | 180.0° |
| CAS | CAJ | CAV | CAW | 0.1° | 0.5° |
| CAJ | CAV | NAP | CAW | 179.9° | 180.0° |
| CAJ | CAV | NAP | CAT | 180.0° | 178.9° |
| CAJ | CAV | NAP | HNAP | 0.0° | 0.1° |
| CAV | CAJ | CAS | CAR | 0.1° | 0.3° |
| CAV | CAJ | CAS | CAZ | 179.7° | 179.7° |
| CAJ | CAV | CAW | NAY | 180.0° | 179.5° |
| HAJ | CAJ | CAV | NAP | 0.0° | 0.0° |
| HAJ | CAJ | CAS | CAR | 179.9° | 179.8° |
| HAJ | CAJ | CAS | CAZ | 0.3° | 0.2° |
| HAJ | CAJ | CAV | CAW | 179.9° | 179.9° |
| CAM | CAK | OAQ | HAK | 120.0° | 119.9° |
| CAM | CAK | OAQ | HAKA | 120.0° | 119.9° |
| CAM | CAK | HAK | HAKA | 119.7° | 120.1° |
| CAM | CAK | OAQ | CAL | 72.4° | 58.7° |
| CAK | CAM | NAX | HAM | 120.0° | 119.9° |
| CAK | CAM | NAX | HAMA | 120.0° | 120.0° |
| CAK | CAM | HAM | HAMA | 118.5° | 120.1° |
| CAK | CAM | NAX | CAN | 1.7° | 58.6° |
| CAK | CAM | NAX | CAR | 177.3° | 177.6° |
| OAQ | CAK | HAK | HAKA | 119.6° | 120.1° |
| CAK | OAQ | CAL | CAN | 64.9° | 58.7° |
| CAK | OAQ | CAL | HAL | 175.1° | 61.3° |
| CAK | OAQ | CAL | HALA | 55.1° | 178.7° |
| OAQ | CAK | CAM | NAX | 37.7° | 56.9° |
| OAQ | CAK | CAM | HAM | 157.7° | 176.8° |
| OAQ | CAK | CAM | HAMA | 82.3° | 63.1° |
| HAK | CAK | OAQ | CAL | 167.6° | 178.6° |
| HAK | CAK | CAM | NAX | 157.7° | 176.8° |
| HAK | CAK | CAM | HAM | 82.3° | 63.3° |
| HAK | CAK | CAM | HAMA | 37.7° | 56.8° |
| HAKA | CAK | OAQ | CAL | 47.6° | 61.3° |
| HAKA | CAK | CAM | NAX | 82.3° | 63.1° |
| HAKA | CAK | CAM | HAM | 37.7° | 56.8° |
| HAKA | CAK | CAM | HAMA | 157.7° | 177.0° |
| OAQ | CAL | CAN | HAL | 120.0° | 120.0° |
| OAQ | CAL | CAN | HALA | 120.0° | 120.0° |
| OAQ | CAL | HAL | HALA | 119.3° | 120.1° |
| OAQ | CAL | CAN | NAX | 24.8° | 56.9° |
| OAQ | CAL | CAN | HAN | 95.2° | 63.0° |
| OAQ | CAL | CAN | HANA | 144.8° | 176.8° |
| CAN | CAL | HAL | HALA | 119.3° | 120.1° |
| CAL | CAN | NAX | CAM | 4.4° | 58.6° |
| CAL | CAN | NAX | HAN | 120.0° | 119.9° |
| CAL | CAN | NAX | HANA | 120.0° | 120.0° |
| CAL | CAN | HAN | HANA | 118.4° | 120.1° |
| CAL | CAN | NAX | CAR | 171.2° | 177.6° |
| HAL | CAL | CAN | NAX | 144.8° | 63.1° |
| HAL | CAL | CAN | HAN | 24.9° | 177.0° |
| HAL | CAL | CAN | HANA | 95.2° | 56.9° |
| HALA | CAL | CAN | NAX | 95.2° | 176.8° |
| HALA | CAL | CAN | HAN | 144.8° | 57.0° |
| HALA | CAL | CAN | HANA | 24.8° | 63.2° |
| NAX | CAM | HAM | HAMA | 118.5° | 120.1° |
| CAM | NAX | CAN | CAR | 175.6° | 123.8° |
| CAM | NAX | CAN | HAN | 124.4° | 61.3° |
| CAM | NAX | CAN | HANA | 115.6° | 178.6° |
| CAM | NAX | CAR | CAS | 77.1° | 120.0° |
| HAM | CAM | NAX | CAN | 121.7° | 178.6° |
| HAM | CAM | NAX | CAR | 62.7° | 57.7° |
| HAMA | CAM | NAX | CAN | 118.3° | 61.3° |
| HAMA | CAM | NAX | CAR | 57.2° | 62.4° |
| NAX | CAN | HAN | HANA | 118.4° | 120.1° |
| CAN | NAX | CAR | CAS | 107.2° | 116.4° |
| HAN | CAN | NAX | CAR | 51.2° | 62.5° |
| HANA | CAN | NAX | CAR | 68.8° | 57.6° |
| PBA | CAO | NAY | HAO | 120.0° | 120.0° |
| PBA | CAO | NAY | HAOA | 120.0° | 120.0° |
| PBA | CAO | HAO | HAOA | 117.2° | 120.0° |
| PBA | CAO | NAY | CAU | 75.9° | 90.0° |
| PBA | CAO | NAY | CAW | 103.2° | 90.0° |
| NAY | CAO | HAO | HAOA | 117.2° | 120.0° |
| CAO | NAY | CAU | CAT | 179.4° | 179.9° |
| CAO | NAY | CAU | CAW | 179.1° | 179.9° |
| CAO | NAY | CAW | CAV | 179.4° | 179.9° |
| HAO | CAO | NAY | CAU | 44.2° | 30.0° |
| HAO | CAO | NAY | CAW | 136.8° | 150.0° |
| HAOA | CAO | NAY | CAU | 164.1° | 150.0° |
| HAOA | CAO | NAY | CAW | 16.8° | 30.0° |
| CAV | NAP | CAT | HNAP | 180.0° | 178.9° |
| CAV | NAP | CAT | CAU | 0.1° | 1.0° |
| NAP | CAV | CAW | NAY | 0.1° | 0.5° |
| NAP | CAT | CAU | NAY | 0.2° | 0.6° |
| CAT | NAP | CAV | CAW | 0.0° | 1.0° |
| HNAP | NAP | CAT | CAU | 179.9° | 179.9° |
| HNAP | NAP | CAV | CAW | 180.0° | 179.9° |
| NAX | CAR | CAS | CAZ | 0.0° | 0.0° |
| CAT | CAU | NAY | CAW | 0.3° | 0.0° |
| CAU | NAY | CAW | CAV | 0.3° | 0.0° |
