ZAT
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
NAA | CAK | doub | 1.34Å | 1.34Å | |
CAK | NAB | sing | 1.34Å | 1.34Å | |
CAK | NAC | sing | 1.35Å | 1.35Å | |
NAC | NAD | sing | 1.23Å | 1.23Å | |
NAD | CAL | doub | 1.33Å | 1.33Å | |
CAL | CAM | sing | 1.53Å | 1.53Å | |
CAL | CAN | sing | 1.39Å | 1.39Å | |
CAN | CAS | sing | 1.39Å | 1.39Å | Aromatic |
CAN | CAO | doub | 1.40Å | 1.40Å | Aromatic |
CAS | CAR | doub | 1.39Å | 1.39Å | Aromatic |
CAR | CAQ | sing | 1.41Å | 1.41Å | Aromatic |
CAO | CAP | sing | 1.40Å | 1.40Å | Aromatic |
CAP | CAQ | doub | 1.39Å | 1.39Å | Aromatic |
CAQ | NAE | sing | 1.35Å | 1.35Å | |
NAE | CAT | sing | 1.35Å | 1.35Å | |
CAT | OBD | doub | 1.25Å | 1.25Å | |
CAT | NAF | sing | 1.36Å | 1.36Å | |
NAF | CAU | sing | 1.36Å | 1.36Å | |
CAU | CAZ | sing | 1.40Å | 1.40Å | Aromatic |
CAU | CAV | doub | 1.40Å | 1.40Å | Aromatic |
CAZ | CAY | doub | 1.40Å | 1.40Å | Aromatic |
CAY | CAX | sing | 1.41Å | 1.41Å | Aromatic |
CAV | CAW | sing | 1.39Å | 1.39Å | Aromatic |
CAW | CAX | doub | 1.40Å | 1.40Å | Aromatic |
CAX | CBA | sing | 1.43Å | 1.43Å | |
CBA | CBB | sing | 1.53Å | 1.53Å | |
CBA | NAG | doub | 1.34Å | 1.34Å | |
NAG | NAH | sing | 1.24Å | 1.24Å | |
NAH | CBC | sing | 1.35Å | 1.35Å | |
CBC | NAJ | doub | 1.32Å | 1.32Å | |
CBC | NAI | sing | 1.33Å | 1.33Å | |
NAA | HAA | sing | 1.00Å | 1.00Å | |
NAB | HAB1 | sing | 1.00Å | 1.00Å | |
NAB | HAB2 | sing | 1.00Å | 1.00Å | |
NAC | HAC | sing | 1.00Å | 1.00Å | |
CAM | HAM1 | sing | 1.10Å | 1.10Å | |
CAM | HAM2 | sing | 1.10Å | 1.10Å | |
CAM | HAM3 | sing | 1.10Å | 1.10Å | |
CAS | HAS | sing | 1.08Å | 1.08Å | |
CAO | HAO | sing | 1.08Å | 1.08Å | |
CAR | HAR | sing | 1.08Å | 1.08Å | |
CAP | HAP | sing | 1.08Å | 1.08Å | |
NAE | HAE | sing | 1.00Å | 1.00Å | |
NAF | HAF | sing | 1.00Å | 1.00Å | |
CAZ | HAZ | sing | 1.08Å | 1.08Å | |
CAV | HAV | sing | 1.08Å | 1.08Å | |
CAY | HAY | sing | 1.08Å | 1.08Å | |
CAW | HAW | sing | 1.08Å | 1.08Å | |
CBB | HBB1 | sing | 1.10Å | 1.10Å | |
CBB | HBB2 | sing | 1.10Å | 1.10Å | |
CBB | HBB3 | sing | 1.10Å | 1.10Å | |
NAH | HAH | sing | 1.00Å | 1.00Å | |
NAJ | HAJ | sing | 1.00Å | 1.00Å | |
NAI | HAI1 | sing | 1.00Å | 1.00Å | |
NAI | HAI2 | sing | 1.00Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
NAA | CAK | NAB | 119.3° | 119.3° |
NAA | CAK | NAC | 119.1° | 119.1° |
CAK | NAA | HAA | 110.3° | 110.3° |
NAB | CAK | NAC | 121.6° | 121.6° |
CAK | NAB | HAB1 | 110.3° | 110.3° |
CAK | NAB | HAB2 | 124.9° | 124.9° |
CAK | NAC | NAD | 119.6° | 119.6° |
CAK | NAC | HAC | 120.2° | 120.2° |
NAC | NAD | CAL | 127.5° | 127.5° |
NAD | NAC | HAC | 120.2° | 120.2° |
NAD | CAL | CAM | 121.9° | 121.9° |
NAD | CAL | CAN | 113.9° | 113.9° |
CAM | CAL | CAN | 123.8° | 123.8° |
CAL | CAM | HAM1 | 109.5° | 109.5° |
CAL | CAM | HAM2 | 109.5° | 109.4° |
CAL | CAM | HAM3 | 109.5° | 109.5° |
CAL | CAN | CAS | 120.0° | 120.0° |
CAL | CAN | CAO | 120.5° | 120.5° |
CAS | CAN | CAO | 119.4° | 119.4° |
CAN | CAS | CAR | 119.7° | 119.7° |
CAN | CAS | HAS | 120.2° | 120.2° |
CAN | CAO | CAP | 121.3° | 121.3° |
CAN | CAO | HAO | 119.4° | 119.4° |
CAS | CAR | CAQ | 120.8° | 120.8° |
CAR | CAS | HAS | 120.1° | 120.1° |
CAS | CAR | HAR | 119.6° | 119.6° |
CAR | CAQ | CAP | 119.5° | 119.5° |
CAR | CAQ | NAE | 116.4° | 116.4° |
CAQ | CAR | HAR | 119.6° | 119.6° |
CAO | CAP | CAQ | 119.2° | 119.2° |
CAP | CAO | HAO | 119.3° | 119.3° |
CAO | CAP | HAP | 120.4° | 120.4° |
CAP | CAQ | NAE | 124.1° | 124.1° |
CAQ | CAP | HAP | 120.4° | 120.4° |
CAQ | NAE | CAT | 128.0° | 128.0° |
CAQ | NAE | HAE | 116.0° | 116.0° |
NAE | CAT | OBD | 123.0° | 123.0° |
NAE | CAT | NAF | 112.1° | 112.1° |
CAT | NAE | HAE | 116.0° | 116.0° |
OBD | CAT | NAF | 124.8° | 124.8° |
CAT | NAF | CAU | 128.1° | 128.1° |
CAT | NAF | HAF | 115.9° | 115.9° |
NAF | CAU | CAZ | 126.2° | 126.2° |
NAF | CAU | CAV | 115.8° | 115.8° |
CAU | NAF | HAF | 115.9° | 115.9° |
CAZ | CAU | CAV | 118.0° | 118.0° |
CAU | CAZ | CAY | 120.1° | 120.1° |
CAU | CAZ | HAZ | 119.9° | 120.0° |
CAU | CAV | CAW | 121.7° | 121.7° |
CAU | CAV | HAV | 119.1° | 119.1° |
CAZ | CAY | CAX | 121.7° | 121.7° |
CAY | CAZ | HAZ | 119.9° | 119.9° |
CAZ | CAY | HAY | 119.1° | 119.1° |
CAY | CAX | CAW | 117.6° | 117.6° |
CAY | CAX | CBA | 123.7° | 123.7° |
CAX | CAY | HAY | 119.1° | 119.1° |
CAV | CAW | CAX | 120.8° | 120.8° |
CAW | CAV | HAV | 119.1° | 119.1° |
CAV | CAW | HAW | 119.6° | 119.6° |
CAW | CAX | CBA | 118.8° | 118.8° |
CAX | CAW | HAW | 119.6° | 119.6° |
CAX | CBA | CBB | 124.2° | 124.2° |
CAX | CBA | NAG | 116.4° | 116.4° |
CBB | CBA | NAG | 119.3° | 119.3° |
CBA | CBB | HBB1 | 109.5° | 109.5° |
CBA | CBB | HBB2 | 109.5° | 109.5° |
CBA | CBB | HBB3 | 109.4° | 109.4° |
CBA | NAG | NAH | 126.7° | 126.7° |
NAG | NAH | CBC | 120.5° | 120.5° |
NAG | NAH | HAH | 119.7° | 119.7° |
NAH | CBC | NAJ | 121.5° | 121.5° |
NAH | CBC | NAI | 121.8° | 121.8° |
CBC | NAH | HAH | 119.8° | 119.8° |
NAJ | CBC | NAI | 116.8° | 116.8° |
CBC | NAJ | HAJ | 110.9° | 110.9° |
CBC | NAI | HAI1 | 110.8° | 110.8° |
CBC | NAI | HAI2 | 124.6° | 124.6° |
HAB1 | NAB | HAB2 | 124.8° | 124.8° |
HAM1 | CAM | HAM2 | 109.4° | 109.5° |
HAM1 | CAM | HAM3 | 109.4° | 109.4° |
HAM2 | CAM | HAM3 | 109.5° | 109.5° |
HBB1 | CBB | HBB2 | 109.5° | 109.5° |
HBB1 | CBB | HBB3 | 109.4° | 109.4° |
HBB2 | CBB | HBB3 | 109.5° | 109.5° |
HAI1 | NAI | HAI2 | 124.6° | 124.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
NAA | CAK | NAB | NAC | 178.7° | 178.7° |
NAA | CAK | NAC | NAD | 178.5° | 178.5° |
NAA | CAK | NAB | HAB1 | 180.0° | 180.0° |
NAA | CAK | NAB | HAB2 | 0.0° | 0.0° |
NAA | CAK | NAC | HAC | 1.5° | 1.5° |
NAB | CAK | NAC | NAD | 0.2° | 0.2° |
NAB | CAK | NAA | HAA | 0.0° | 0.0° |
CAK | NAB | HAB1 | HAB2 | 180.0° | 180.0° |
NAB | CAK | NAC | HAC | 179.8° | 179.8° |
CAK | NAC | NAD | HAC | 180.0° | 180.0° |
CAK | NAC | NAD | CAL | 179.7° | 179.7° |
NAC | CAK | NAA | HAA | 178.7° | 178.7° |
NAC | CAK | NAB | HAB1 | 1.3° | 1.3° |
NAC | CAK | NAB | HAB2 | 178.7° | 178.7° |
NAC | NAD | CAL | CAM | 2.0° | 2.0° |
NAC | NAD | CAL | CAN | 175.1° | 175.1° |
NAD | CAL | CAM | CAN | 172.5° | 172.5° |
NAD | CAL | CAN | CAS | 39.0° | 39.0° |
NAD | CAL | CAN | CAO | 136.2° | 136.2° |
CAL | NAD | NAC | HAC | 0.3° | 0.3° |
NAD | CAL | CAM | HAM1 | 15.1° | 15.1° |
NAD | CAL | CAM | HAM2 | 104.9° | 104.9° |
NAD | CAL | CAM | HAM3 | 135.1° | 135.1° |
CAM | CAL | CAN | CAS | 148.0° | 148.0° |
CAM | CAL | CAN | CAO | 36.8° | 36.8° |
CAL | CAM | HAM1 | HAM2 | 120.0° | 120.0° |
CAL | CAM | HAM1 | HAM3 | 120.0° | 120.0° |
CAL | CAM | HAM2 | HAM3 | 120.0° | 120.0° |
CAL | CAN | CAS | CAO | 175.3° | 175.3° |
CAL | CAN | CAS | CAR | 177.4° | 177.4° |
CAL | CAN | CAO | CAP | 177.9° | 177.9° |
CAN | CAL | CAM | HAM1 | 157.4° | 157.4° |
CAN | CAL | CAM | HAM2 | 82.7° | 82.6° |
CAN | CAL | CAM | HAM3 | 37.4° | 37.4° |
CAL | CAN | CAS | HAS | 2.6° | 2.6° |
CAL | CAN | CAO | HAO | 2.1° | 2.1° |
CAN | CAS | CAR | HAS | 180.0° | 180.0° |
CAN | CAS | CAR | CAQ | 0.7° | 0.7° |
CAS | CAN | CAO | CAP | 2.6° | 2.6° |
CAS | CAN | CAO | HAO | 177.4° | 177.4° |
CAN | CAS | CAR | HAR | 179.3° | 179.3° |
CAO | CAN | CAS | CAR | 2.2° | 2.2° |
CAN | CAO | CAP | HAO | 180.0° | 180.0° |
CAN | CAO | CAP | CAQ | 1.6° | 1.6° |
CAO | CAN | CAS | HAS | 177.8° | 177.8° |
CAN | CAO | CAP | HAP | 178.4° | 178.4° |
CAS | CAR | CAQ | HAR | 180.0° | 180.0° |
CAS | CAR | CAQ | CAP | 0.3° | 0.3° |
CAS | CAR | CAQ | NAE | 180.0° | 180.0° |
CAR | CAQ | CAP | CAO | 0.1° | 0.1° |
CAR | CAQ | CAP | NAE | 179.6° | 179.6° |
CAR | CAQ | NAE | CAT | 158.6° | 158.6° |
CAQ | CAR | CAS | HAS | 179.3° | 179.3° |
CAR | CAQ | CAP | HAP | 179.9° | 179.9° |
CAR | CAQ | NAE | HAE | 21.4° | 21.4° |
CAO | CAP | CAQ | HAP | 180.0° | 180.0° |
CAO | CAP | CAQ | NAE | 179.5° | 179.5° |
CAP | CAQ | NAE | CAT | 21.7° | 21.7° |
CAQ | CAP | CAO | HAO | 178.4° | 178.4° |
CAP | CAQ | CAR | HAR | 179.7° | 179.7° |
CAP | CAQ | NAE | HAE | 158.3° | 158.3° |
CAQ | NAE | CAT | HAE | 180.0° | 180.0° |
CAQ | NAE | CAT | OBD | 2.4° | 2.4° |
CAQ | NAE | CAT | NAF | 180.0° | 180.0° |
NAE | CAQ | CAR | HAR | 0.0° | 0.0° |
NAE | CAQ | CAP | HAP | 0.4° | 0.4° |
NAE | CAT | OBD | NAF | 177.3° | 177.3° |
NAE | CAT | NAF | CAU | 175.9° | 175.9° |
NAE | CAT | NAF | HAF | 4.2° | 4.2° |
OBD | CAT | NAF | CAU | 6.6° | 6.6° |
OBD | CAT | NAE | HAE | 177.6° | 177.6° |
OBD | CAT | NAF | HAF | 173.4° | 173.4° |
CAT | NAF | CAU | HAF | 180.0° | 180.0° |
CAT | NAF | CAU | CAZ | 9.9° | 9.9° |
CAT | NAF | CAU | CAV | 168.4° | 168.4° |
NAF | CAT | NAE | HAE | 0.0° | 0.0° |
NAF | CAU | CAZ | CAV | 178.2° | 178.2° |
NAF | CAU | CAZ | CAY | 178.7° | 178.7° |
NAF | CAU | CAV | CAW | 178.6° | 178.6° |
NAF | CAU | CAZ | HAZ | 1.4° | 1.3° |
NAF | CAU | CAV | HAV | 1.5° | 1.4° |
CAU | CAZ | CAY | HAZ | 180.0° | 180.0° |
CAU | CAZ | CAY | CAX | 0.0° | 0.0° |
CAZ | CAU | CAV | CAW | 0.2° | 0.2° |
CAZ | CAU | NAF | HAF | 170.1° | 170.1° |
CAZ | CAU | CAV | HAV | 179.9° | 179.8° |
CAU | CAZ | CAY | HAY | 180.0° | 180.0° |
CAV | CAU | CAZ | CAY | 0.4° | 0.4° |
CAU | CAV | CAW | HAV | 180.0° | 180.0° |
CAU | CAV | CAW | CAX | 0.6° | 0.6° |
CAV | CAU | NAF | HAF | 11.7° | 11.7° |
CAV | CAU | CAZ | HAZ | 179.6° | 179.6° |
CAU | CAV | CAW | HAW | 179.4° | 179.4° |
CAZ | CAY | CAX | HAY | 180.0° | 180.0° |
CAZ | CAY | CAX | CAW | 0.7° | 0.7° |
CAZ | CAY | CAX | CBA | 179.8° | 179.8° |
CAY | CAX | CAW | CAV | 1.0° | 1.0° |
CAY | CAX | CAW | CBA | 179.1° | 179.1° |
CAY | CAX | CBA | CBB | 19.9° | 19.9° |
CAY | CAX | CBA | NAG | 157.7° | 157.7° |
CAX | CAY | CAZ | HAZ | 180.0° | 180.0° |
CAY | CAX | CAW | HAW | 179.0° | 179.0° |
CAV | CAW | CAX | HAW | 180.0° | 180.0° |
CAV | CAW | CAX | CBA | 179.9° | 179.9° |
CAW | CAX | CBA | CBB | 161.0° | 161.0° |
CAW | CAX | CBA | NAG | 21.3° | 21.3° |
CAX | CAW | CAV | HAV | 179.4° | 179.5° |
CAW | CAX | CAY | HAY | 179.3° | 179.3° |
CAX | CBA | CBB | NAG | 177.6° | 177.6° |
CAX | CBA | NAG | NAH | 177.8° | 177.8° |
CBA | CAX | CAY | HAY | 0.3° | 0.3° |
CBA | CAX | CAW | HAW | 0.1° | 0.1° |
CAX | CBA | CBB | HBB1 | 10.0° | 10.0° |
CAX | CBA | CBB | HBB2 | 110.0° | 110.0° |
CAX | CBA | CBB | HBB3 | 129.9° | 129.9° |
CBB | CBA | NAG | NAH | 0.1° | 0.1° |
CBA | CBB | HBB1 | HBB2 | 120.0° | 120.0° |
CBA | CBB | HBB1 | HBB3 | 120.0° | 120.0° |
CBA | CBB | HBB2 | HBB3 | 120.0° | 120.0° |
CBA | NAG | NAH | CBC | 180.0° | 180.0° |
NAG | CBA | CBB | HBB1 | 172.4° | 172.4° |
NAG | CBA | CBB | HBB2 | 67.6° | 67.6° |
NAG | CBA | CBB | HBB3 | 52.5° | 52.5° |
CBA | NAG | NAH | HAH | 0.0° | 0.0° |
NAG | NAH | CBC | HAH | 180.0° | 180.0° |
NAG | NAH | CBC | NAJ | 177.9° | 177.9° |
NAG | NAH | CBC | NAI | 1.7° | 1.7° |
NAH | CBC | NAJ | NAI | 179.6° | 179.6° |
NAH | CBC | NAJ | HAJ | 180.0° | 180.0° |
NAH | CBC | NAI | HAI1 | 0.2° | 0.2° |
NAH | CBC | NAI | HAI2 | 179.8° | 179.8° |
NAJ | CBC | NAH | HAH | 2.1° | 2.1° |
NAJ | CBC | NAI | HAI1 | 179.8° | 179.8° |
NAJ | CBC | NAI | HAI2 | 0.2° | 0.2° |
NAI | CBC | NAH | HAH | 178.3° | 178.4° |
NAI | CBC | NAJ | HAJ | 0.4° | 0.4° |
CBC | NAI | HAI1 | HAI2 | 180.0° | 180.0° |
HAM1 | CAM | HAM2 | HAM3 | 120.0° | 120.0° |
HAS | CAS | CAR | HAR | 0.7° | 0.7° |
HAO | CAO | CAP | HAP | 1.6° | 1.6° |
HAZ | CAZ | CAY | HAY | 0.0° | 0.0° |
HAV | CAV | CAW | HAW | 0.6° | 0.5° |
HBB1 | CBB | HBB2 | HBB3 | 120.0° | 120.0° |