HXK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAL | sing | 1.53Å | 1.54Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAV | OAB | sing | 1.35Å | 1.24Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| OAC | CAV | doub | 1.22Å | 1.24Å | |
| OAD | CAW | sing | 1.36Å | 1.38Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å | |
| CAG | CAE | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAE | sing | 1.39Å | 1.41Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAH | CAF | doub | 1.38Å | 1.41Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAZ | CAG | sing | 1.39Å | 1.41Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CBA | CAH | sing | 1.40Å | 1.40Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | CAX | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | CAW | sing | 1.39Å | 1.40Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAW | CAJ | doub | 1.39Å | 1.41Å | Aromatic |
| CAJ | CAY | sing | 1.39Å | 1.41Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAX | CAK | sing | 1.38Å | 1.40Å | Aromatic |
| CAK | CAY | doub | 1.39Å | 1.41Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAM | CAL | sing | 1.53Å | 1.53Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAL | HALA | sing | 1.09Å | 1.10Å | |
| CAN | CAM | sing | 1.53Å | 1.54Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAM | HAMA | sing | 1.09Å | 1.10Å | |
| CAO | CAN | sing | 1.53Å | 1.54Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| CAN | HANA | sing | 1.09Å | 1.10Å | |
| CAO | CAP | sing | 1.53Å | 1.54Å | |
| CAO | HAO | sing | 1.09Å | 1.10Å | |
| CAO | HAOA | sing | 1.09Å | 1.10Å | |
| CAQ | CAP | sing | 1.53Å | 1.53Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| CAP | HAPA | sing | 1.09Å | 1.10Å | |
| CAR | CAQ | sing | 1.53Å | 1.54Å | |
| CAQ | HAQ | sing | 1.09Å | 1.10Å | |
| CAQ | HAQA | sing | 1.09Å | 1.10Å | |
| OAT | CAR | sing | 1.43Å | 1.46Å | |
| CAR | HAR | sing | 1.09Å | 1.10Å | |
| CAR | HARA | sing | 1.09Å | 1.10Å | |
| SAU | CAS | sing | 1.81Å | 1.85Å | |
| CAS | CAX | sing | 1.51Å | 1.54Å | |
| CAS | HAS | sing | 1.09Å | 1.10Å | |
| CAS | HASA | sing | 1.09Å | 1.10Å | |
| CAY | OAT | sing | 1.36Å | 1.38Å | |
| SAU | CAZ | sing | 1.76Å | 1.74Å | |
| CAV | CBA | sing | 1.47Å | 1.53Å | |
| CBA | CAZ | doub | 1.41Å | 1.42Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAL | CAA | HAA | 109.5° | 109.4° |
| CAL | CAA | HAAA | 109.4° | 109.5° |
| CAL | CAA | HAAB | 109.5° | 109.5° |
| CAA | CAL | CAM | 112.5° | 109.5° |
| CAA | CAL | HAL | 108.5° | 109.5° |
| CAA | CAL | HALA | 108.5° | 109.5° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| CAV | OAB | HOAB | 109.5° | 117.0° |
| OAB | CAV | OAC | 123.7° | 120.0° |
| OAB | CAV | CBA | 117.7° | 120.0° |
| OAC | CAV | CBA | 118.5° | 120.0° |
| CAW | OAD | HOAD | 109.5° | 114.0° |
| OAD | CAW | CAI | 119.2° | 120.0° |
| OAD | CAW | CAJ | 121.4° | 120.0° |
| CAG | CAE | CAF | 118.1° | 120.5° |
| CAG | CAE | HAE | 120.9° | 119.8° |
| CAE | CAG | CAZ | 120.5° | 120.0° |
| CAE | CAG | HAG | 119.7° | 120.0° |
| CAF | CAE | HAE | 120.9° | 119.8° |
| CAE | CAF | CAH | 121.7° | 120.4° |
| CAE | CAF | HAF | 119.1° | 119.8° |
| CAH | CAF | HAF | 119.2° | 119.8° |
| CAF | CAH | CBA | 120.4° | 119.9° |
| CAF | CAH | HAH | 119.8° | 120.0° |
| CAZ | CAG | HAG | 119.7° | 120.0° |
| CAG | CAZ | SAU | 116.0° | 120.2° |
| CAG | CAZ | CBA | 121.0° | 119.6° |
| CBA | CAH | HAH | 119.8° | 120.1° |
| CAH | CBA | CAV | 117.5° | 120.2° |
| CAH | CBA | CAZ | 118.3° | 119.6° |
| CAX | CAI | CAW | 121.1° | 120.0° |
| CAX | CAI | HAI | 119.5° | 120.0° |
| CAI | CAX | CAK | 119.1° | 120.1° |
| CAI | CAX | CAS | 122.7° | 119.9° |
| CAW | CAI | HAI | 119.4° | 120.0° |
| CAI | CAW | CAJ | 119.4° | 120.0° |
| CAW | CAJ | CAY | 120.3° | 119.9° |
| CAW | CAJ | HAJ | 119.8° | 120.1° |
| CAY | CAJ | HAJ | 119.9° | 120.1° |
| CAJ | CAY | CAK | 119.0° | 120.0° |
| CAJ | CAY | OAT | 120.9° | 120.0° |
| CAX | CAK | CAY | 121.1° | 120.0° |
| CAX | CAK | HAK | 119.4° | 119.9° |
| CAK | CAX | CAS | 118.2° | 120.0° |
| CAY | CAK | HAK | 119.5° | 120.0° |
| CAK | CAY | OAT | 120.1° | 120.0° |
| CAM | CAL | HAL | 108.5° | 109.5° |
| CAM | CAL | HALA | 108.5° | 109.4° |
| CAL | CAM | CAN | 110.9° | 109.5° |
| CAL | CAM | HAM | 109.0° | 109.5° |
| CAL | CAM | HAMA | 109.0° | 109.5° |
| HAL | CAL | HALA | 110.4° | 109.5° |
| CAN | CAM | HAM | 109.0° | 109.5° |
| CAN | CAM | HAMA | 109.0° | 109.4° |
| CAM | CAN | CAO | 113.5° | 109.5° |
| CAM | CAN | HAN | 108.2° | 109.5° |
| CAM | CAN | HANA | 108.1° | 109.5° |
| HAM | CAM | HAMA | 109.9° | 109.5° |
| CAO | CAN | HAN | 108.2° | 109.5° |
| CAO | CAN | HANA | 108.2° | 109.4° |
| CAN | CAO | CAP | 112.0° | 109.5° |
| CAN | CAO | HAO | 108.6° | 109.5° |
| CAN | CAO | HAOA | 108.6° | 109.5° |
| HAN | CAN | HANA | 110.7° | 109.5° |
| CAP | CAO | HAO | 108.6° | 109.5° |
| CAP | CAO | HAOA | 108.6° | 109.5° |
| CAO | CAP | CAQ | 110.7° | 109.5° |
| CAO | CAP | HAP | 109.1° | 109.5° |
| CAO | CAP | HAPA | 109.1° | 109.5° |
| HAO | CAO | HAOA | 110.3° | 109.4° |
| CAQ | CAP | HAP | 109.1° | 109.4° |
| CAQ | CAP | HAPA | 109.1° | 109.5° |
| CAP | CAQ | CAR | 111.2° | 109.5° |
| CAP | CAQ | HAQ | 108.9° | 109.4° |
| CAP | CAQ | HAQA | 108.9° | 109.5° |
| HAP | CAP | HAPA | 109.9° | 109.5° |
| CAR | CAQ | HAQ | 108.9° | 109.5° |
| CAR | CAQ | HAQA | 108.9° | 109.5° |
| CAQ | CAR | OAT | 113.9° | 109.5° |
| CAQ | CAR | HAR | 108.0° | 109.5° |
| CAQ | CAR | HARA | 108.0° | 109.5° |
| HAQ | CAQ | HAQA | 110.1° | 109.5° |
| OAT | CAR | HAR | 108.0° | 109.4° |
| OAT | CAR | HARA | 108.0° | 109.4° |
| CAR | OAT | CAY | 113.3° | 117.0° |
| HAR | CAR | HARA | 110.9° | 109.4° |
| SAU | CAS | CAX | 118.7° | 109.5° |
| SAU | CAS | HAS | 106.5° | 109.4° |
| SAU | CAS | HASA | 106.5° | 109.4° |
| CAS | SAU | CAZ | 95.1° | 100.0° |
| CAX | CAS | HAS | 106.5° | 109.6° |
| CAX | CAS | HASA | 106.5° | 109.5° |
| HAS | CAS | HASA | 112.3° | 109.5° |
| SAU | CAZ | CBA | 123.0° | 120.2° |
| CAV | CBA | CAZ | 124.2° | 120.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAL | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAL | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAL | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | CAL | CAM | HAL | 120.0° | 120.0° |
| CAA | CAL | CAM | HALA | 120.0° | 120.0° |
| CAA | CAL | HAL | HALA | 118.8° | 120.0° |
| CAA | CAL | CAM | CAN | 124.3° | NaN° |
| CAA | CAL | CAM | HAM | 4.3° | 60.0° |
| CAA | CAL | CAM | HAMA | 115.8° | 60.1° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAA | CAA | CAL | CAM | 180.0° | 60.0° |
| HAA | CAA | CAL | HAL | 60.0° | 60.0° |
| HAA | CAA | CAL | HALA | 60.0° | 180.0° |
| HAAA | CAA | CAL | CAM | 60.0° | 60.0° |
| HAAA | CAA | CAL | HAL | 60.0° | NaN° |
| HAAA | CAA | CAL | HALA | 180.0° | 60.0° |
| HAAB | CAA | CAL | CAM | 60.0° | 180.0° |
| HAAB | CAA | CAL | HAL | 180.0° | 60.0° |
| HAAB | CAA | CAL | HALA | 60.0° | 60.1° |
| OAB | CAV | OAC | CBA | 176.7° | 180.0° |
| OAB | CAV | CBA | CAH | 57.6° | 0.1° |
| OAB | CAV | CBA | CAZ | 123.2° | 179.7° |
| HOAB | OAB | CAV | OAC | 0.0° | 0.0° |
| HOAB | OAB | CAV | CBA | 176.7° | 180.0° |
| OAC | CAV | CBA | CAH | 119.3° | 180.0° |
| OAC | CAV | CBA | CAZ | 59.9° | 0.3° |
| OAD | CAW | CAI | CAX | 179.8° | 180.0° |
| OAD | CAW | CAI | CAJ | 179.7° | 180.0° |
| OAD | CAW | CAI | HAI | 0.2° | 0.2° |
| OAD | CAW | CAJ | CAY | 179.8° | 180.0° |
| OAD | CAW | CAJ | HAJ | 0.2° | 0.0° |
| HOAD | OAD | CAW | CAI | 180.0° | 90.0° |
| HOAD | OAD | CAW | CAJ | 0.3° | 89.9° |
| CAG | CAE | CAF | HAE | 180.0° | 179.8° |
| CAG | CAE | CAF | CAH | 0.2° | 0.2° |
| CAG | CAE | CAF | HAF | 179.8° | 179.9° |
| CAE | CAG | CAZ | HAG | 180.0° | 179.9° |
| CAE | CAG | CAZ | SAU | 179.5° | 180.0° |
| CAE | CAG | CAZ | CBA | 0.9° | 0.0° |
| CAE | CAF | CAH | HAF | 180.0° | 179.9° |
| CAF | CAE | CAG | CAZ | 0.1° | 0.2° |
| CAF | CAE | CAG | HAG | 179.9° | 179.7° |
| CAE | CAF | CAH | CBA | 0.2° | 0.0° |
| CAE | CAF | CAH | HAH | 179.8° | 180.0° |
| HAE | CAE | CAF | CAH | 179.8° | 180.0° |
| HAE | CAE | CAF | HAF | 0.2° | 0.1° |
| HAE | CAE | CAG | CAZ | 179.9° | 180.0° |
| HAE | CAE | CAG | HAG | 0.1° | 0.1° |
| CAF | CAH | CBA | HAH | 180.0° | 180.0° |
| CAF | CAH | CBA | CAV | 179.8° | 179.9° |
| CAF | CAH | CBA | CAZ | 0.9° | 0.2° |
| HAF | CAF | CAH | CBA | 179.8° | 179.9° |
| HAF | CAF | CAH | HAH | 0.2° | 0.1° |
| CAG | CAZ | CBA | CAH | 1.3° | 0.3° |
| CAG | CAZ | SAU | CAS | 70.2° | 0.0° |
| CAG | CAZ | SAU | CBA | 178.6° | 180.0° |
| CAG | CAZ | CBA | CAV | 179.5° | 180.0° |
| HAG | CAG | CAZ | SAU | 0.5° | 0.0° |
| HAG | CAG | CAZ | CBA | 179.1° | 180.0° |
| CAH | CBA | CAZ | SAU | 179.8° | 179.7° |
| CAH | CBA | CAV | CAZ | 179.2° | 179.7° |
| HAH | CAH | CBA | CAV | 0.2° | 0.1° |
| HAH | CAH | CBA | CAZ | 179.1° | 179.8° |
| CAX | CAI | CAW | HAI | 180.0° | 179.8° |
| CAX | CAI | CAW | CAJ | 0.1° | 0.0° |
| CAI | CAX | CAK | CAS | 179.6° | 179.9° |
| CAI | CAX | CAK | CAY | 0.1° | 0.1° |
| CAI | CAX | CAK | HAK | 180.0° | 180.0° |
| CAI | CAX | CAS | SAU | 2.0° | 90.0° |
| CAI | CAX | CAS | HAS | 118.0° | 30.0° |
| CAI | CAX | CAS | HASA | 122.0° | 150.0° |
| CAI | CAW | CAJ | CAY | 0.1° | 0.0° |
| CAI | CAW | CAJ | HAJ | 179.9° | 180.0° |
| CAW | CAI | CAX | CAK | 0.1° | 0.1° |
| CAW | CAI | CAX | CAS | 179.6° | 180.0° |
| HAI | CAI | CAW | CAJ | 179.9° | 179.7° |
| HAI | CAI | CAX | CAK | 179.9° | 179.7° |
| HAI | CAI | CAX | CAS | 0.4° | 0.2° |
| CAW | CAJ | CAY | HAJ | 180.0° | 180.0° |
| CAW | CAJ | CAY | CAK | 0.1° | 0.0° |
| CAW | CAJ | CAY | OAT | 179.8° | 180.0° |
| CAJ | CAY | CAK | CAX | 0.1° | 0.1° |
| CAJ | CAY | CAK | OAT | 179.7° | 180.0° |
| CAJ | CAY | CAK | HAK | 179.9° | 180.0° |
| CAJ | CAY | OAT | CAR | 104.7° | 0.0° |
| HAJ | CAJ | CAY | CAK | 179.9° | 180.0° |
| HAJ | CAJ | CAY | OAT | 0.2° | 0.0° |
| CAX | CAK | CAY | HAK | 180.0° | 179.9° |
| CAK | CAX | CAS | SAU | 177.6° | 90.0° |
| CAK | CAX | CAS | HAS | 62.4° | 150.0° |
| CAK | CAX | CAS | HASA | 57.6° | 29.9° |
| CAX | CAK | CAY | OAT | 179.8° | 179.9° |
| CAK | CAY | OAT | CAR | 75.6° | 180.0° |
| CAY | CAK | CAX | CAS | 179.6° | 180.0° |
| HAK | CAK | CAX | CAS | 0.4° | 0.1° |
| HAK | CAK | CAY | OAT | 0.2° | 0.0° |
| CAM | CAL | HAL | HALA | 118.8° | 119.9° |
| CAL | CAM | CAN | HAM | 120.0° | 120.0° |
| CAL | CAM | CAN | HAMA | 120.0° | 120.0° |
| CAL | CAM | HAM | HAMA | 119.5° | 120.0° |
| CAL | CAM | CAN | CAO | 178.9° | 180.0° |
| CAL | CAM | CAN | HAN | 61.1° | 60.0° |
| CAL | CAM | CAN | HANA | 58.9° | 60.1° |
| HAL | CAL | CAM | CAN | 115.7° | 60.0° |
| HAL | CAL | CAM | HAM | 124.3° | 180.0° |
| HAL | CAL | CAM | HAMA | 4.2° | 60.0° |
| HALA | CAL | CAM | CAN | 4.2° | 60.0° |
| HALA | CAL | CAM | HAM | 115.7° | 60.0° |
| HALA | CAL | CAM | HAMA | 124.2° | 180.0° |
| CAN | CAM | HAM | HAMA | 119.4° | 120.0° |
| CAM | CAN | CAO | HAN | 120.0° | 120.0° |
| CAM | CAN | CAO | HANA | 120.0° | 120.0° |
| CAM | CAN | HAN | HANA | 118.3° | 120.0° |
| CAM | CAN | CAO | CAP | 136.9° | 179.9° |
| CAM | CAN | CAO | HAO | 103.1° | 59.9° |
| CAM | CAN | CAO | HAOA | 16.9° | 60.0° |
| HAM | CAM | CAN | CAO | 58.9° | 60.0° |
| HAM | CAM | CAN | HAN | 178.9° | NaN° |
| HAM | CAM | CAN | HANA | 61.1° | 60.0° |
| HAMA | CAM | CAN | CAO | 61.1° | 60.0° |
| HAMA | CAM | CAN | HAN | 59.0° | 60.0° |
| HAMA | CAM | CAN | HANA | 178.9° | 180.0° |
| CAO | CAN | HAN | HANA | 118.4° | 119.9° |
| CAN | CAO | CAP | HAO | 120.0° | 120.0° |
| CAN | CAO | CAP | HAOA | 120.0° | 120.1° |
| CAN | CAO | HAO | HAOA | 119.0° | 120.0° |
| CAN | CAO | CAP | CAQ | 152.4° | 180.0° |
| CAN | CAO | CAP | HAP | 32.4° | 60.0° |
| CAN | CAO | CAP | HAPA | 87.6° | 60.0° |
| HAN | CAN | CAO | CAP | 16.8° | 60.0° |
| HAN | CAN | CAO | HAO | 136.8° | 180.0° |
| HAN | CAN | CAO | HAOA | 103.2° | 60.1° |
| HANA | CAN | CAO | CAP | 103.1° | 60.0° |
| HANA | CAN | CAO | HAO | 16.9° | 60.0° |
| HANA | CAN | CAO | HAOA | 136.9° | 180.0° |
| CAP | CAO | HAO | HAOA | 119.0° | 120.0° |
| CAO | CAP | CAQ | HAP | 120.0° | 119.9° |
| CAO | CAP | CAQ | HAPA | 120.0° | 120.1° |
| CAO | CAP | HAP | HAPA | 119.5° | 120.1° |
| CAO | CAP | CAQ | CAR | 156.4° | 180.0° |
| CAO | CAP | CAQ | HAQ | 36.4° | 60.1° |
| CAO | CAP | CAQ | HAQA | 83.6° | 59.9° |
| HAO | CAO | CAP | CAQ | 87.6° | 60.0° |
| HAO | CAO | CAP | HAP | 152.4° | 180.0° |
| HAO | CAO | CAP | HAPA | 32.4° | 60.0° |
| HAOA | CAO | CAP | CAQ | 32.4° | 59.9° |
| HAOA | CAO | CAP | HAP | 87.6° | 60.0° |
| HAOA | CAO | CAP | HAPA | 152.4° | 180.0° |
| CAQ | CAP | HAP | HAPA | 119.5° | 120.0° |
| CAP | CAQ | CAR | HAQ | 120.0° | 119.9° |
| CAP | CAQ | CAR | HAQA | 120.0° | 120.1° |
| CAP | CAQ | HAQ | HAQA | 119.3° | 120.0° |
| CAP | CAQ | CAR | OAT | 94.3° | 180.0° |
| CAP | CAQ | CAR | HAR | 145.7° | 60.0° |
| CAP | CAQ | CAR | HARA | 25.7° | 60.0° |
| HAP | CAP | CAQ | CAR | 83.6° | 60.1° |
| HAP | CAP | CAQ | HAQ | 156.4° | 180.0° |
| HAP | CAP | CAQ | HAQA | 36.4° | 60.0° |
| HAPA | CAP | CAQ | CAR | 36.4° | 59.9° |
| HAPA | CAP | CAQ | HAQ | 83.6° | 60.0° |
| HAPA | CAP | CAQ | HAQA | 156.4° | 180.0° |
| CAR | CAQ | HAQ | HAQA | 119.3° | 120.0° |
| CAQ | CAR | OAT | HAR | 120.0° | 120.0° |
| CAQ | CAR | OAT | HARA | 120.0° | 120.1° |
| CAQ | CAR | HAR | HARA | 118.2° | 120.1° |
| CAQ | CAR | OAT | CAY | 126.3° | 180.0° |
| HAQ | CAQ | CAR | OAT | 25.7° | 60.1° |
| HAQ | CAQ | CAR | HAR | 94.3° | 180.0° |
| HAQ | CAQ | CAR | HARA | 145.7° | 60.0° |
| HAQA | CAQ | CAR | OAT | 145.7° | 59.9° |
| HAQA | CAQ | CAR | HAR | 25.7° | 60.1° |
| HAQA | CAQ | CAR | HARA | 94.3° | 180.0° |
| OAT | CAR | HAR | HARA | 118.2° | 119.9° |
| HAR | CAR | OAT | CAY | 6.3° | 60.0° |
| HARA | CAR | OAT | CAY | 113.7° | 59.9° |
| SAU | CAS | CAX | HAS | 120.0° | 120.0° |
| SAU | CAS | CAX | HASA | 120.0° | 120.0° |
| SAU | CAS | HAS | HASA | 116.2° | 119.9° |
| CAS | SAU | CAZ | CBA | 108.5° | 180.0° |
| CAX | CAS | HAS | HASA | 116.2° | 120.0° |
| CAX | CAS | SAU | CAZ | 111.6° | 180.0° |
| HAS | CAS | SAU | CAZ | 8.4° | 60.0° |
| HASA | CAS | SAU | CAZ | 128.4° | 60.0° |
| SAU | CAZ | CBA | CAV | 1.0° | 0.0° |
