6MK
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAA | CAS | doub | 1.21Å | 1.23Å | |
CAS | OAD | sing | 1.35Å | 1.24Å | |
CAS | CAE | sing | 1.47Å | 1.51Å | |
CAE | CAF | doub | 1.34Å | 1.48Å | |
CAF | CAT | sing | 1.48Å | 1.54Å | |
CAT | OAB | doub | 1.22Å | 1.19Å | |
CAT | NAQ | sing | 1.35Å | 1.37Å | |
NAQ | NAR | sing | 1.40Å | 1.32Å | |
NAR | CAU | sing | 1.35Å | 1.38Å | |
CAU | OAC | doub | 1.22Å | 1.19Å | |
CAU | CAX | sing | 1.48Å | 1.50Å | |
CAX | CAN | sing | 1.40Å | 1.41Å | Aromatic |
CAX | CAW | doub | 1.40Å | 1.39Å | Aromatic |
CAN | NAP | doub | 1.32Å | 1.35Å | Aromatic |
NAP | CAJ | sing | 1.32Å | 1.36Å | Aromatic |
CAJ | CAM | doub | 1.38Å | 1.40Å | Aromatic |
CAM | CAW | sing | 1.38Å | 1.41Å | Aromatic |
CAW | CAO | sing | 1.51Å | 1.47Å | |
CAO | CAV | sing | 1.51Å | 1.47Å | |
CAV | CAK | sing | 1.38Å | 1.42Å | Aromatic |
CAV | CAL | doub | 1.38Å | 1.41Å | Aromatic |
CAK | CAH | doub | 1.38Å | 1.40Å | Aromatic |
CAH | CAG | sing | 1.38Å | 1.39Å | Aromatic |
CAG | CAI | doub | 1.38Å | 1.41Å | Aromatic |
CAI | CAL | sing | 1.38Å | 1.39Å | Aromatic |
OAD | HAD | sing | 0.97Å | 0.95Å | |
CAE | HAE | sing | 1.08Å | 1.08Å | |
CAF | HAF | sing | 1.08Å | 1.08Å | |
NAQ | HAQ | sing | 0.97Å | 1.00Å | |
NAR | HAR | sing | 0.97Å | 1.00Å | |
CAN | HAN | sing | 1.08Å | 1.08Å | |
CAJ | HAJ | sing | 1.08Å | 1.08Å | |
CAM | HAM | sing | 1.08Å | 1.08Å | |
CAO | HAO1 | sing | 1.09Å | 1.10Å | |
CAO | HAO2 | sing | 1.09Å | 1.10Å | |
CAK | HAK | sing | 1.08Å | 1.08Å | |
CAL | HAL | sing | 1.08Å | 1.08Å | |
CAH | HAH | sing | 1.08Å | 1.08Å | |
CAG | HAG | sing | 1.08Å | 1.08Å | |
CAI | HAI | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAA | CAS | OAD | 127.4° | 120.0° |
OAA | CAS | CAE | 116.4° | 120.0° |
OAD | CAS | CAE | 116.2° | 120.0° |
CAS | OAD | HAD | 109.5° | 117.0° |
CAS | CAE | CAF | 108.1° | 120.0° |
CAS | CAE | HAE | 126.0° | 120.0° |
CAE | CAF | CAT | 114.1° | 120.0° |
CAF | CAE | HAE | 126.0° | 120.0° |
CAE | CAF | HAF | 122.9° | 120.0° |
CAF | CAT | OAB | 126.0° | 120.0° |
CAF | CAT | NAQ | 114.6° | 120.0° |
CAT | CAF | HAF | 122.9° | 120.0° |
OAB | CAT | NAQ | 119.4° | 120.0° |
CAT | NAQ | NAR | 122.6° | 120.0° |
CAT | NAQ | HAQ | 118.7° | 120.0° |
NAQ | NAR | CAU | 121.8° | 120.0° |
NAR | NAQ | HAQ | 118.7° | 120.0° |
NAQ | NAR | HAR | 119.1° | 120.0° |
NAR | CAU | OAC | 118.2° | 120.0° |
NAR | CAU | CAX | 121.2° | 120.0° |
CAU | NAR | HAR | 119.1° | 120.0° |
OAC | CAU | CAX | 120.5° | 120.0° |
CAU | CAX | CAN | 125.1° | 120.6° |
CAU | CAX | CAW | 117.2° | 120.6° |
CAN | CAX | CAW | 117.7° | 118.8° |
CAX | CAN | NAP | 124.5° | 120.6° |
CAX | CAN | HAN | 117.8° | 119.7° |
CAX | CAW | CAM | 118.6° | 118.3° |
CAX | CAW | CAO | 119.2° | 120.8° |
CAN | NAP | CAJ | 116.8° | 121.9° |
NAP | CAN | HAN | 117.7° | 119.7° |
NAP | CAJ | CAM | 122.4° | 121.1° |
NAP | CAJ | HAJ | 118.8° | 119.5° |
CAJ | CAM | CAW | 120.0° | 119.3° |
CAM | CAJ | HAJ | 118.8° | 119.4° |
CAJ | CAM | HAM | 120.0° | 120.3° |
CAM | CAW | CAO | 122.1° | 120.9° |
CAW | CAM | HAM | 120.0° | 120.3° |
CAW | CAO | CAV | 123.3° | 109.4° |
CAW | CAO | HAO1 | 105.9° | 109.5° |
CAW | CAO | HAO2 | 105.9° | 109.5° |
CAO | CAV | CAK | 122.6° | 120.0° |
CAO | CAV | CAL | 121.4° | 120.0° |
CAV | CAO | HAO1 | 105.9° | 109.5° |
CAV | CAO | HAO2 | 105.9° | 109.4° |
CAK | CAV | CAL | 115.9° | 120.0° |
CAV | CAK | CAH | 122.1° | 120.0° |
CAV | CAK | HAK | 118.9° | 120.0° |
CAV | CAL | CAI | 122.3° | 120.0° |
CAV | CAL | HAL | 118.8° | 120.0° |
CAK | CAH | CAG | 120.6° | 120.0° |
CAH | CAK | HAK | 119.0° | 120.0° |
CAK | CAH | HAH | 119.7° | 120.0° |
CAH | CAG | CAI | 118.6° | 120.0° |
CAG | CAH | HAH | 119.7° | 120.0° |
CAH | CAG | HAG | 120.7° | 120.0° |
CAG | CAI | CAL | 120.4° | 120.0° |
CAI | CAG | HAG | 120.7° | 120.0° |
CAG | CAI | HAI | 119.7° | 120.0° |
CAI | CAL | HAL | 118.9° | 120.0° |
CAL | CAI | HAI | 119.8° | 120.0° |
HAO1 | CAO | HAO2 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAA | CAS | OAD | CAE | 177.2° | 179.7° |
OAA | CAS | CAE | CAF | 138.9° | 0.1° |
OAA | CAS | OAD | HAD | 0.0° | 0.0° |
OAA | CAS | CAE | HAE | 41.1° | 180.0° |
OAD | CAS | CAE | CAF | 38.6° | 179.7° |
OAD | CAS | CAE | HAE | 141.4° | 0.3° |
CAS | CAE | CAF | HAE | 180.0° | 180.0° |
CAS | CAE | CAF | CAT | 178.1° | 180.0° |
CAE | CAS | OAD | HAD | 177.3° | 179.7° |
CAS | CAE | CAF | HAF | 1.9° | 0.0° |
CAE | CAF | CAT | HAF | 180.0° | 180.0° |
CAE | CAF | CAT | OAB | 0.6° | 0.0° |
CAE | CAF | CAT | NAQ | 179.0° | 180.0° |
CAF | CAT | OAB | NAQ | 179.6° | 180.0° |
CAF | CAT | NAQ | NAR | 179.5° | 179.9° |
CAT | CAF | CAE | HAE | 1.9° | 0.0° |
CAF | CAT | NAQ | HAQ | 0.5° | 0.0° |
OAB | CAT | NAQ | NAR | 0.2° | 0.1° |
OAB | CAT | CAF | HAF | 179.4° | 180.0° |
OAB | CAT | NAQ | HAQ | 179.8° | 180.0° |
CAT | NAQ | NAR | HAQ | 180.0° | 179.9° |
CAT | NAQ | NAR | CAU | 155.4° | 180.0° |
NAQ | CAT | CAF | HAF | 1.0° | 0.0° |
CAT | NAQ | NAR | HAR | 24.6° | 0.1° |
NAQ | NAR | CAU | HAR | 180.0° | 179.9° |
NAQ | NAR | CAU | OAC | 1.5° | 0.1° |
NAQ | NAR | CAU | CAX | 178.0° | 179.9° |
NAR | CAU | OAC | CAX | 176.6° | 180.0° |
NAR | CAU | CAX | CAN | 125.7° | 5.7° |
NAR | CAU | CAX | CAW | 53.8° | 174.1° |
CAU | NAR | NAQ | HAQ | 24.6° | 0.1° |
OAC | CAU | CAX | CAN | 57.9° | 174.3° |
OAC | CAU | CAX | CAW | 122.7° | 6.0° |
OAC | CAU | NAR | HAR | 178.5° | 180.0° |
CAU | CAX | CAN | CAW | 179.4° | 179.7° |
CAU | CAX | CAN | NAP | 179.5° | 180.0° |
CAU | CAX | CAW | CAM | 179.7° | 179.7° |
CAU | CAX | CAW | CAO | 1.0° | 0.0° |
CAX | CAU | NAR | HAR | 1.9° | 0.0° |
CAU | CAX | CAN | HAN | 0.4° | 0.0° |
CAX | CAN | NAP | HAN | 180.0° | 180.0° |
CAX | CAN | NAP | CAJ | 1.0° | 0.0° |
CAN | CAX | CAW | CAM | 0.2° | 0.6° |
CAN | CAX | CAW | CAO | 179.5° | 179.7° |
CAW | CAX | CAN | NAP | 1.0° | 0.3° |
CAX | CAW | CAM | CAJ | 0.4° | 0.6° |
CAX | CAW | CAM | CAO | 179.2° | 179.7° |
CAX | CAW | CAO | CAV | 166.8° | 175.6° |
CAW | CAX | CAN | HAN | 179.0° | 179.7° |
CAX | CAW | CAM | HAM | 179.5° | 179.7° |
CAX | CAW | CAO | HAO1 | 71.3° | 55.6° |
CAX | CAW | CAO | HAO2 | 44.9° | 64.5° |
CAN | NAP | CAJ | CAM | 0.2° | 0.0° |
CAN | NAP | CAJ | HAJ | 179.8° | 180.0° |
NAP | CAJ | CAM | HAJ | 180.0° | 180.0° |
NAP | CAJ | CAM | CAW | 0.5° | 0.3° |
CAJ | NAP | CAN | HAN | 179.0° | 180.0° |
NAP | CAJ | CAM | HAM | 179.5° | 180.0° |
CAJ | CAM | CAW | HAM | 180.0° | 179.8° |
CAJ | CAM | CAW | CAO | 178.8° | 179.7° |
CAM | CAW | CAO | CAV | 12.5° | 4.7° |
CAW | CAM | CAJ | HAJ | 179.5° | 179.7° |
CAM | CAW | CAO | HAO1 | 109.4° | 124.8° |
CAM | CAW | CAO | HAO2 | 134.4° | 115.2° |
CAW | CAO | CAV | HAO1 | 121.9° | 120.0° |
CAW | CAO | CAV | HAO2 | 121.9° | 120.0° |
CAW | CAO | CAV | CAK | 112.9° | 94.5° |
CAW | CAO | CAV | CAL | 69.0° | 85.8° |
CAO | CAW | CAM | HAM | 1.2° | 0.0° |
CAW | CAO | HAO1 | HAO2 | 113.7° | 120.1° |
CAO | CAV | CAK | CAL | 178.2° | 179.7° |
CAO | CAV | CAK | CAH | 178.8° | 180.0° |
CAO | CAV | CAL | CAI | 179.0° | 179.8° |
CAV | CAO | HAO1 | HAO2 | 113.8° | 119.9° |
CAO | CAV | CAK | HAK | 1.2° | 0.0° |
CAO | CAV | CAL | HAL | 1.0° | 0.1° |
CAV | CAK | CAH | HAK | 180.0° | 180.0° |
CAV | CAK | CAH | CAG | 0.2° | 0.0° |
CAK | CAV | CAL | CAI | 0.7° | 0.5° |
CAK | CAV | CAO | HAO1 | 125.2° | 25.6° |
CAK | CAV | CAO | HAO2 | 9.0° | 145.5° |
CAK | CAV | CAL | HAL | 179.3° | 179.7° |
CAV | CAK | CAH | HAH | 179.8° | 179.9° |
CAL | CAV | CAK | CAH | 0.6° | 0.2° |
CAV | CAL | CAI | CAG | 0.4° | 0.4° |
CAV | CAL | CAI | HAL | 180.0° | 179.9° |
CAL | CAV | CAO | HAO1 | 52.9° | 154.2° |
CAL | CAV | CAO | HAO2 | 169.1° | 34.2° |
CAL | CAV | CAK | HAK | 179.4° | 179.7° |
CAV | CAL | CAI | HAI | 179.6° | 179.7° |
CAK | CAH | CAG | HAH | 180.0° | 179.9° |
CAK | CAH | CAG | CAI | 0.1° | 0.1° |
CAK | CAH | CAG | HAG | 179.9° | 180.0° |
CAH | CAG | CAI | HAG | 180.0° | 180.0° |
CAH | CAG | CAI | CAL | 0.0° | 0.1° |
CAG | CAH | CAK | HAK | 179.8° | 180.0° |
CAH | CAG | CAI | HAI | 180.0° | 180.0° |
CAG | CAI | CAL | HAI | 180.0° | 179.9° |
CAG | CAI | CAL | HAL | 179.6° | 179.7° |
CAI | CAG | CAH | HAH | 179.9° | 180.0° |
CAL | CAI | CAG | HAG | 180.0° | 179.8° |
HAE | CAE | CAF | HAF | 178.1° | 180.0° |
HAQ | NAQ | NAR | HAR | 155.4° | NaN° |
HAJ | CAJ | CAM | HAM | 0.5° | 0.1° |
HAK | CAK | CAH | HAH | 0.2° | 0.1° |
HAL | CAL | CAI | HAI | 0.4° | 0.1° |
HAH | CAH | CAG | HAG | 0.1° | 0.1° |
HAG | CAG | CAI | HAI | 0.0° | 0.1° |