FKH
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAY | CAZ | sing | 1.51Å | 1.40Å | |
CAZ | CAV | sing | 1.38Å | 1.39Å | Aromatic |
CAZ | CBA | doub | 1.38Å | 1.39Å | Aromatic |
CAV | CAW | doub | 1.38Å | 1.40Å | Aromatic |
CBA | CBB | sing | 1.38Å | 1.40Å | Aromatic |
CBB | CAX | doub | 1.38Å | 1.40Å | Aromatic |
CAX | CAW | sing | 1.38Å | 1.41Å | Aromatic |
CAW | CAT | sing | 1.51Å | 1.42Å | |
CAT | NAO | sing | 1.47Å | 1.52Å | |
NAO | CAP | sing | 1.38Å | 1.38Å | |
NAO | CAN | sing | 1.35Å | 1.36Å | |
CAP | NAU | sing | 1.38Å | 1.36Å | |
CAP | CAH | doub | 1.37Å | 1.42Å | |
CAN | OAM | doub | 1.22Å | 1.22Å | |
CAN | NAF | sing | 1.35Å | 1.40Å | |
NAF | CAG | sing | 1.35Å | 1.40Å | |
CAG | OAA | doub | 1.22Å | 1.23Å | |
CAG | CAH | sing | 1.41Å | 1.41Å | |
CAH | NAI | sing | 1.41Å | 1.37Å | |
NAI | CAB | sing | 1.46Å | 1.46Å | |
NAI | SAJ | sing | 1.66Å | 1.67Å | |
SAJ | OAQ | doub | 1.42Å | 1.50Å | |
SAJ | OAC | doub | 1.42Å | 1.52Å | |
SAJ | CAK | sing | 1.76Å | 1.77Å | |
CAK | CAR | sing | 1.38Å | 1.39Å | Aromatic |
CAK | CAD | doub | 1.38Å | 1.38Å | Aromatic |
CAR | CAS | doub | 1.38Å | 1.38Å | Aromatic |
CAS | CAL | sing | 1.38Å | 1.39Å | Aromatic |
CAL | CAE | doub | 1.38Å | 1.39Å | Aromatic |
CAE | CAD | sing | 1.38Å | 1.39Å | Aromatic |
CAY | HAY1 | sing | 1.09Å | 1.10Å | |
CAY | HAY2 | sing | 1.09Å | 1.10Å | |
CAY | HAY3 | sing | 1.09Å | 1.10Å | |
CAV | HAV | sing | 1.08Å | 1.08Å | |
CBA | HBA | sing | 1.08Å | 1.08Å | |
CBB | HBB | sing | 1.08Å | 1.08Å | |
CAX | HAX | sing | 1.08Å | 1.08Å | |
CAT | HAT1 | sing | 1.09Å | 1.10Å | |
CAT | HAT2 | sing | 1.09Å | 1.10Å | |
NAU | HAU1 | sing | 0.97Å | 1.00Å | |
NAU | HAU2 | sing | 0.97Å | 1.00Å | |
NAF | HAF | sing | 0.97Å | 1.00Å | |
CAB | HAB1 | sing | 1.09Å | 1.10Å | |
CAB | HAB2 | sing | 1.09Å | 1.10Å | |
CAB | HAB3 | sing | 1.09Å | 1.10Å | |
CAR | HAR | sing | 1.08Å | 1.08Å | |
CAD | HAD | sing | 1.08Å | 1.08Å | |
CAS | HAS | sing | 1.08Å | 1.08Å | |
CAL | HAL | sing | 1.08Å | 1.08Å | |
CAE | HAE | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAY | CAZ | CAV | 120.5° | 119.9° |
CAY | CAZ | CBA | 119.3° | 120.1° |
CAZ | CAY | HAY1 | 109.5° | 109.5° |
CAZ | CAY | HAY2 | 109.5° | 109.5° |
CAZ | CAY | HAY3 | 109.4° | 109.5° |
CAV | CAZ | CBA | 120.2° | 120.0° |
CAZ | CAV | CAW | 121.5° | 120.0° |
CAZ | CAV | HAV | 119.2° | 120.0° |
CAZ | CBA | CBB | 119.9° | 120.0° |
CAZ | CBA | HBA | 120.0° | 119.9° |
CAV | CAW | CAX | 117.5° | 120.0° |
CAV | CAW | CAT | 121.2° | 120.0° |
CAW | CAV | HAV | 119.3° | 120.0° |
CBA | CBB | CAX | 119.6° | 120.0° |
CBB | CBA | HBA | 120.1° | 120.0° |
CBA | CBB | HBB | 120.2° | 120.0° |
CBB | CAX | CAW | 121.3° | 120.0° |
CAX | CBB | HBB | 120.2° | 120.0° |
CBB | CAX | HAX | 119.3° | 120.1° |
CAX | CAW | CAT | 121.2° | 119.9° |
CAW | CAX | HAX | 119.4° | 120.0° |
CAW | CAT | NAO | 114.8° | 109.5° |
CAW | CAT | HAT1 | 108.1° | 109.5° |
CAW | CAT | HAT2 | 108.1° | 109.4° |
CAT | NAO | CAP | 122.0° | 119.8° |
CAT | NAO | CAN | 118.0° | 119.8° |
NAO | CAT | HAT1 | 108.1° | 109.5° |
NAO | CAT | HAT2 | 108.1° | 109.4° |
CAP | NAO | CAN | 119.9° | 120.4° |
NAO | CAP | NAU | 122.1° | 120.3° |
NAO | CAP | CAH | 120.2° | 119.4° |
NAO | CAN | OAM | 121.4° | 119.5° |
NAO | CAN | NAF | 121.7° | 121.0° |
NAU | CAP | CAH | 117.7° | 120.3° |
CAP | NAU | HAU1 | 109.5° | 120.0° |
CAP | NAU | HAU2 | 109.5° | 120.0° |
CAP | CAH | CAG | 119.6° | 119.0° |
CAP | CAH | NAI | 123.1° | 120.5° |
OAM | CAN | NAF | 116.9° | 119.5° |
CAN | NAF | CAG | 119.9° | 120.6° |
CAN | NAF | HAF | 120.1° | 119.7° |
NAF | CAG | OAA | 118.9° | 120.1° |
NAF | CAG | CAH | 118.7° | 119.6° |
CAG | NAF | HAF | 120.1° | 119.8° |
OAA | CAG | CAH | 122.3° | 120.3° |
CAG | CAH | NAI | 117.3° | 120.5° |
CAH | NAI | CAB | 117.9° | 120.0° |
CAH | NAI | SAJ | 120.9° | 120.0° |
CAB | NAI | SAJ | 120.7° | 120.0° |
NAI | CAB | HAB1 | 109.5° | 109.5° |
NAI | CAB | HAB2 | 109.5° | 109.4° |
NAI | CAB | HAB3 | 109.5° | 109.5° |
NAI | SAJ | OAQ | 112.8° | 106.4° |
NAI | SAJ | OAC | 111.4° | 106.4° |
NAI | SAJ | CAK | 107.7° | 107.2° |
OAQ | SAJ | OAC | 110.9° | 123.2° |
OAQ | SAJ | CAK | 105.6° | 106.4° |
OAC | SAJ | CAK | 108.2° | 106.4° |
SAJ | CAK | CAR | 119.4° | 120.0° |
SAJ | CAK | CAD | 120.0° | 120.0° |
CAR | CAK | CAD | 120.6° | 120.0° |
CAK | CAR | CAS | 119.8° | 120.0° |
CAK | CAR | HAR | 120.1° | 119.9° |
CAK | CAD | CAE | 119.7° | 120.0° |
CAK | CAD | HAD | 120.2° | 120.0° |
CAR | CAS | CAL | 120.0° | 120.0° |
CAS | CAR | HAR | 120.1° | 120.0° |
CAR | CAS | HAS | 120.0° | 120.0° |
CAS | CAL | CAE | 119.8° | 120.0° |
CAL | CAS | HAS | 120.0° | 120.0° |
CAS | CAL | HAL | 120.1° | 120.0° |
CAL | CAE | CAD | 120.1° | 120.0° |
CAE | CAL | HAL | 120.1° | 120.0° |
CAL | CAE | HAE | 120.0° | 120.0° |
CAE | CAD | HAD | 120.2° | 120.0° |
CAD | CAE | HAE | 120.0° | 120.0° |
HAY1 | CAY | HAY2 | 109.5° | 109.4° |
HAY1 | CAY | HAY3 | 109.5° | 109.5° |
HAY2 | CAY | HAY3 | 109.5° | 109.4° |
HAT1 | CAT | HAT2 | 109.5° | 109.5° |
HAU1 | NAU | HAU2 | 109.4° | 120.0° |
HAB1 | CAB | HAB2 | 109.5° | 109.5° |
HAB1 | CAB | HAB3 | 109.4° | 109.5° |
HAB2 | CAB | HAB3 | 109.4° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAY | CAZ | CAV | CBA | 179.6° | 179.8° |
CAY | CAZ | CAV | CAW | 179.2° | 180.0° |
CAY | CAZ | CBA | CBB | 179.5° | 180.0° |
CAZ | CAY | HAY1 | HAY2 | 120.0° | 120.0° |
CAZ | CAY | HAY1 | HAY3 | 120.0° | 120.1° |
CAZ | CAY | HAY2 | HAY3 | 120.0° | 120.0° |
CAY | CAZ | CAV | HAV | 0.8° | 0.0° |
CAY | CAZ | CBA | HBA | 0.5° | 0.0° |
CAZ | CAV | CAW | HAV | 180.0° | 180.0° |
CAV | CAZ | CBA | CBB | 0.9° | 0.3° |
CAZ | CAV | CAW | CAX | 1.5° | 0.0° |
CAZ | CAV | CAW | CAT | 178.6° | 180.0° |
CAV | CAZ | CAY | HAY1 | 89.8° | 90.0° |
CAV | CAZ | CAY | HAY2 | 150.2° | 150.0° |
CAV | CAZ | CAY | HAY3 | 30.2° | 30.1° |
CAV | CAZ | CBA | HBA | 179.1° | 179.7° |
CBA | CAZ | CAV | CAW | 1.2° | 0.3° |
CAZ | CBA | CBB | HBA | 180.0° | 180.0° |
CAZ | CBA | CBB | CAX | 0.8° | 0.0° |
CBA | CAZ | CAY | HAY1 | 89.8° | 90.2° |
CBA | CAZ | CAY | HAY2 | 30.2° | 29.7° |
CBA | CAZ | CAY | HAY3 | 150.2° | 149.7° |
CBA | CAZ | CAV | HAV | 178.7° | 179.7° |
CAZ | CBA | CBB | HBB | 179.2° | 180.0° |
CAV | CAW | CAX | CBB | 1.4° | 0.3° |
CAV | CAW | CAX | CAT | 177.2° | 180.0° |
CAV | CAW | CAT | NAO | 73.9° | 90.0° |
CAV | CAW | CAX | HAX | 178.6° | 179.9° |
CAV | CAW | CAT | HAT1 | 165.3° | 150.0° |
CAV | CAW | CAT | HAT2 | 46.9° | 30.0° |
CBA | CBB | CAX | HBB | 180.0° | 180.0° |
CBA | CBB | CAX | CAW | 1.1° | 0.3° |
CBA | CBB | CAX | HAX | 178.9° | 179.9° |
CBB | CAX | CAW | HAX | 180.0° | 179.6° |
CBB | CAX | CAW | CAT | 178.6° | 179.7° |
CAX | CBB | CBA | HBA | 179.2° | 180.0° |
CAX | CAW | CAT | NAO | 109.0° | 90.1° |
CAX | CAW | CAV | HAV | 178.5° | 180.0° |
CAW | CAX | CBB | HBB | 178.9° | 179.7° |
CAX | CAW | CAT | HAT1 | 11.8° | 30.0° |
CAX | CAW | CAT | HAT2 | 130.2° | 150.0° |
CAW | CAT | NAO | HAT1 | 120.8° | 120.1° |
CAW | CAT | NAO | HAT2 | 120.8° | 120.0° |
CAW | CAT | NAO | CAP | 85.7° | 90.0° |
CAW | CAT | NAO | CAN | 96.3° | 90.2° |
CAT | CAW | CAV | HAV | 1.3° | 0.0° |
CAT | CAW | CAX | HAX | 1.4° | 0.1° |
CAW | CAT | HAT1 | HAT2 | 117.6° | 120.0° |
CAT | NAO | CAP | CAN | 178.0° | 179.8° |
CAT | NAO | CAP | NAU | 0.5° | 0.0° |
CAT | NAO | CAP | CAH | 179.7° | 180.0° |
CAT | NAO | CAN | OAM | 1.3° | 0.1° |
CAT | NAO | CAN | NAF | 179.8° | 180.0° |
NAO | CAT | HAT1 | HAT2 | 117.6° | 120.0° |
NAO | CAP | NAU | CAH | 179.2° | 180.0° |
CAP | NAO | CAN | OAM | 179.4° | 179.7° |
CAP | NAO | CAN | NAF | 2.1° | 0.2° |
NAO | CAP | CAH | CAG | 1.2° | 0.0° |
NAO | CAP | CAH | NAI | 179.9° | 180.0° |
CAP | NAO | CAT | HAT1 | 35.1° | 30.0° |
CAP | NAO | CAT | HAT2 | 153.5° | 150.0° |
NAO | CAP | NAU | HAU1 | 180.0° | 6.4° |
NAO | CAP | NAU | HAU2 | 60.0° | 173.7° |
CAN | NAO | CAP | NAU | 178.5° | 179.8° |
CAN | NAO | CAP | CAH | 2.3° | 0.2° |
NAO | CAN | OAM | NAF | 178.6° | 179.9° |
NAO | CAN | NAF | CAG | 1.0° | 0.0° |
CAN | NAO | CAT | HAT1 | 143.0° | 149.8° |
CAN | NAO | CAT | HAT2 | 24.5° | 29.8° |
NAO | CAN | NAF | HAF | 179.0° | 180.0° |
NAU | CAP | CAH | CAG | 179.5° | 180.0° |
NAU | CAP | CAH | NAI | 0.6° | 0.0° |
CAP | NAU | HAU1 | HAU2 | 120.0° | 179.9° |
CAP | CAH | CAG | NAF | 0.1° | 0.2° |
CAP | CAH | CAG | OAA | 179.3° | 180.0° |
CAP | CAH | CAG | NAI | 179.0° | 180.0° |
CAP | CAH | NAI | CAB | 100.4° | 48.4° |
CAP | CAH | NAI | SAJ | 86.9° | 131.6° |
CAH | CAP | NAU | HAU1 | 0.8° | 173.6° |
CAH | CAP | NAU | HAU2 | 119.2° | 6.3° |
OAM | CAN | NAF | CAG | 179.5° | 180.0° |
OAM | CAN | NAF | HAF | 0.5° | 0.0° |
CAN | NAF | CAG | HAF | 180.0° | 180.0° |
CAN | NAF | CAG | OAA | 179.5° | 179.9° |
CAN | NAF | CAG | CAH | 0.1° | 0.2° |
NAF | CAG | OAA | CAH | 179.4° | 179.8° |
NAF | CAG | CAH | NAI | 179.1° | 179.8° |
OAA | CAG | CAH | NAI | 0.4° | 0.1° |
OAA | CAG | NAF | HAF | 0.5° | 0.1° |
CAG | CAH | NAI | CAB | 78.5° | 131.6° |
CAG | CAH | NAI | SAJ | 94.1° | 48.4° |
CAH | CAG | NAF | HAF | 179.9° | 179.8° |
CAH | NAI | CAB | SAJ | 172.6° | 180.0° |
CAH | NAI | SAJ | OAQ | 49.9° | 136.2° |
CAH | NAI | SAJ | OAC | 175.4° | 3.2° |
CAH | NAI | SAJ | CAK | 66.2° | 110.3° |
CAH | NAI | CAB | HAB1 | 180.0° | 121.8° |
CAH | NAI | CAB | HAB2 | 60.0° | 118.2° |
CAH | NAI | CAB | HAB3 | 60.0° | 1.7° |
CAB | NAI | SAJ | OAQ | 137.7° | 43.8° |
CAB | NAI | SAJ | OAC | 12.2° | 176.7° |
CAB | NAI | SAJ | CAK | 106.3° | 69.7° |
NAI | CAB | HAB1 | HAB2 | 120.0° | 120.0° |
NAI | CAB | HAB1 | HAB3 | 120.0° | 120.0° |
NAI | CAB | HAB2 | HAB3 | 120.0° | 119.9° |
NAI | SAJ | OAQ | OAC | 125.7° | 123.0° |
NAI | SAJ | OAQ | CAK | 117.3° | 114.1° |
NAI | SAJ | OAC | CAK | 118.1° | 114.1° |
NAI | SAJ | CAK | CAR | 80.2° | 90.0° |
NAI | SAJ | CAK | CAD | 99.9° | 90.3° |
SAJ | NAI | CAB | HAB1 | 7.3° | 58.2° |
SAJ | NAI | CAB | HAB2 | 127.4° | 61.9° |
SAJ | NAI | CAB | HAB3 | 112.7° | 178.2° |
OAQ | SAJ | OAC | CAK | 115.3° | 123.0° |
OAQ | SAJ | CAK | CAR | 40.5° | 23.5° |
OAQ | SAJ | CAK | CAD | 139.4° | 156.2° |
OAC | SAJ | CAK | CAR | 159.3° | 156.5° |
OAC | SAJ | CAK | CAD | 20.6° | 23.2° |
SAJ | CAK | CAR | CAD | 179.9° | 179.7° |
SAJ | CAK | CAR | CAS | 179.7° | 180.0° |
SAJ | CAK | CAD | CAE | 179.9° | 179.8° |
SAJ | CAK | CAR | HAR | 0.3° | 0.0° |
SAJ | CAK | CAD | HAD | 0.1° | 0.0° |
CAK | CAR | CAS | HAR | 180.0° | 180.0° |
CAK | CAR | CAS | CAL | 0.2° | 0.1° |
CAR | CAK | CAD | CAE | 0.2° | 0.5° |
CAR | CAK | CAD | HAD | 179.8° | 179.7° |
CAK | CAR | CAS | HAS | 179.8° | 180.0° |
CAD | CAK | CAR | CAS | 0.2° | 0.2° |
CAK | CAD | CAE | CAL | 1.0° | 0.5° |
CAK | CAD | CAE | HAD | 180.0° | 179.7° |
CAD | CAK | CAR | HAR | 179.8° | 179.7° |
CAK | CAD | CAE | HAE | 178.9° | 179.7° |
CAR | CAS | CAL | HAS | 180.0° | 179.9° |
CAR | CAS | CAL | CAE | 1.0° | 0.1° |
CAR | CAS | CAL | HAL | 179.0° | 179.9° |
CAS | CAL | CAE | HAL | 180.0° | 180.0° |
CAS | CAL | CAE | CAD | 1.4° | 0.2° |
CAL | CAS | CAR | HAR | 179.8° | 180.0° |
CAS | CAL | CAE | HAE | 178.5° | 180.0° |
CAL | CAE | CAD | HAE | 180.0° | 179.8° |
CAL | CAE | CAD | HAD | 179.0° | 179.8° |
CAE | CAL | CAS | HAS | 179.0° | 180.0° |
CAD | CAE | CAL | HAL | 178.5° | 179.8° |
HAY1 | CAY | HAY2 | HAY3 | 120.0° | 119.9° |
HBA | CBA | CBB | HBB | 0.8° | 0.0° |
HBB | CBB | CAX | HAX | 1.1° | 0.1° |
HAB1 | CAB | HAB2 | HAB3 | 120.0° | 120.0° |
HAR | CAR | CAS | HAS | 0.2° | 0.1° |
HAD | CAD | CAE | HAE | 1.0° | 0.0° |
HAS | CAS | CAL | HAL | 1.1° | 0.0° |
HAL | CAL | CAE | HAE | 1.5° | 0.0° |