SAK
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAG | CAE | doub | 1.38Å | 1.40Å | Aromatic |
CAG | CAR | sing | 1.38Å | 1.41Å | Aromatic |
CAE | CAO | sing | 1.39Å | 1.42Å | Aromatic |
CAO | OAC | sing | 1.36Å | 1.35Å | |
CAO | CAF | doub | 1.39Å | 1.41Å | Aromatic |
CAF | CAH | sing | 1.38Å | 1.41Å | Aromatic |
CAH | CAR | doub | 1.38Å | 1.42Å | Aromatic |
CAR | CAU | sing | 1.51Å | 1.54Å | |
CAU | OAM | sing | 1.43Å | 1.46Å | |
CAU | CAK | sing | 1.54Å | 1.54Å | |
OAM | CAS | sing | 1.35Å | 1.38Å | |
CAK | CAN | sing | 1.52Å | 1.53Å | |
CAN | OAB | doub | 1.21Å | 1.24Å | |
CAN | CAT | sing | 1.47Å | 1.40Å | |
CAT | CAS | doub | 1.41Å | 1.42Å | Aromatic |
CAT | CAQ | sing | 1.40Å | 1.42Å | Aromatic |
CAS | CAJ | sing | 1.38Å | 1.41Å | Aromatic |
CAJ | CAP | doub | 1.39Å | 1.41Å | Aromatic |
CAP | OAL | sing | 1.36Å | 1.37Å | |
CAP | CAI | sing | 1.39Å | 1.41Å | Aromatic |
OAL | CAA | sing | 1.43Å | 1.44Å | |
CAI | CAQ | doub | 1.38Å | 1.40Å | Aromatic |
CAQ | OAD | sing | 1.36Å | 1.36Å | |
CAG | HAG | sing | 1.08Å | 1.08Å | |
CAE | HAE | sing | 1.08Å | 1.08Å | |
OAC | HOAC | sing | 0.97Å | 0.95Å | |
CAF | HAF | sing | 1.08Å | 1.08Å | |
CAH | HAH | sing | 1.08Å | 1.08Å | |
CAU | HAU | sing | 1.09Å | 1.10Å | |
CAK | HAK | sing | 1.09Å | 1.10Å | |
CAK | HAKA | sing | 1.09Å | 1.10Å | |
CAJ | HAJ | sing | 1.08Å | 1.08Å | |
CAA | HAA | sing | 1.09Å | 1.10Å | |
CAA | HAAA | sing | 1.09Å | 1.10Å | |
CAA | HAAB | sing | 1.09Å | 1.10Å | |
CAI | HAI | sing | 1.08Å | 1.08Å | |
OAD | HOAD | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAE | CAG | CAR | 119.4° | 120.1° |
CAG | CAE | CAO | 119.4° | 119.9° |
CAE | CAG | HAG | 120.3° | 120.0° |
CAG | CAE | HAE | 120.3° | 120.1° |
CAG | CAR | CAH | 121.3° | 120.1° |
CAG | CAR | CAU | 118.4° | 120.0° |
CAR | CAG | HAG | 120.3° | 119.9° |
CAE | CAO | OAC | 119.4° | 120.1° |
CAE | CAO | CAF | 121.5° | 119.9° |
CAO | CAE | HAE | 120.3° | 120.0° |
OAC | CAO | CAF | 119.1° | 120.0° |
CAO | OAC | HOAC | 109.5° | 114.0° |
CAO | CAF | CAH | 119.0° | 120.0° |
CAO | CAF | HAF | 120.5° | 120.0° |
CAF | CAH | CAR | 119.4° | 120.0° |
CAH | CAF | HAF | 120.5° | 120.0° |
CAF | CAH | HAH | 120.3° | 120.0° |
CAH | CAR | CAU | 120.3° | 119.9° |
CAR | CAH | HAH | 120.3° | 120.0° |
CAR | CAU | OAM | 111.5° | 109.5° |
CAR | CAU | CAK | 111.9° | 109.5° |
CAR | CAU | HAU | 106.0° | 109.5° |
OAM | CAU | CAK | 108.3° | 109.3° |
CAU | OAM | CAS | 116.7° | 118.6° |
OAM | CAU | HAU | 109.7° | 109.5° |
CAU | CAK | CAN | 108.3° | 107.2° |
CAK | CAU | HAU | 109.4° | 109.5° |
CAU | CAK | HAK | 109.9° | 109.9° |
CAU | CAK | HAKA | 110.1° | 109.9° |
OAM | CAS | CAT | 122.1° | 120.8° |
OAM | CAS | CAJ | 117.6° | 119.9° |
CAK | CAN | OAB | 115.3° | 121.7° |
CAK | CAN | CAT | 123.0° | 116.6° |
CAN | CAK | HAK | 109.8° | 109.9° |
CAN | CAK | HAKA | 110.1° | 109.9° |
OAB | CAN | CAT | 121.7° | 121.7° |
CAN | CAT | CAS | 116.3° | 119.1° |
CAN | CAT | CAQ | 124.4° | 120.7° |
CAS | CAT | CAQ | 119.3° | 120.2° |
CAT | CAS | CAJ | 120.3° | 119.3° |
CAT | CAQ | CAI | 120.0° | 119.6° |
CAT | CAQ | OAD | 123.5° | 120.2° |
CAS | CAJ | CAP | 120.1° | 120.2° |
CAS | CAJ | HAJ | 120.0° | 119.8° |
CAJ | CAP | OAL | 115.9° | 119.6° |
CAJ | CAP | CAI | 119.6° | 120.7° |
CAP | CAJ | HAJ | 119.9° | 119.9° |
OAL | CAP | CAI | 124.5° | 119.7° |
CAP | OAL | CAA | 120.5° | 117.0° |
CAP | CAI | CAQ | 120.8° | 120.1° |
CAP | CAI | HAI | 119.6° | 119.9° |
OAL | CAA | HAA | 109.5° | 109.5° |
OAL | CAA | HAAA | 109.5° | 109.5° |
OAL | CAA | HAAB | 109.4° | 109.5° |
CAI | CAQ | OAD | 116.6° | 120.2° |
CAQ | CAI | HAI | 119.6° | 120.0° |
CAQ | OAD | HOAD | 109.5° | 114.0° |
HAK | CAK | HAKA | 108.6° | 109.9° |
HAA | CAA | HAAA | 109.5° | 109.4° |
HAA | CAA | HAAB | 109.5° | 109.5° |
HAAA | CAA | HAAB | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAE | CAG | CAR | HAG | 180.0° | 179.8° |
CAG | CAE | CAO | HAE | 180.0° | 179.9° |
CAG | CAE | CAO | OAC | 179.9° | 180.0° |
CAG | CAE | CAO | CAF | 0.4° | 0.0° |
CAE | CAG | CAR | CAH | 0.0° | 0.0° |
CAE | CAG | CAR | CAU | 179.6° | 180.0° |
CAR | CAG | CAE | CAO | 0.0° | 0.1° |
CAG | CAR | CAH | CAF | 0.4° | 0.0° |
CAG | CAR | CAH | CAU | 179.6° | 179.9° |
CAG | CAR | CAU | OAM | 74.0° | 145.0° |
CAG | CAR | CAU | CAK | 164.6° | 95.1° |
CAR | CAG | CAE | HAE | 180.0° | 180.0° |
CAG | CAR | CAH | HAH | 179.6° | 180.0° |
CAG | CAR | CAU | HAU | 45.5° | 24.9° |
CAE | CAO | OAC | CAF | 179.7° | 180.0° |
CAE | CAO | CAF | CAH | 0.7° | 0.0° |
CAO | CAE | CAG | HAG | 180.0° | 179.7° |
CAE | CAO | OAC | HOAC | 97.7° | 90.1° |
CAE | CAO | CAF | HAF | 179.3° | 179.9° |
OAC | CAO | CAF | CAH | 179.6° | 180.0° |
OAC | CAO | CAE | HAE | 0.0° | 0.1° |
OAC | CAO | CAF | HAF | 0.4° | 0.1° |
CAO | CAF | CAH | HAF | 180.0° | 179.9° |
CAO | CAF | CAH | CAR | 0.7° | 0.0° |
CAF | CAO | CAE | HAE | 179.6° | 180.0° |
CAF | CAO | OAC | HOAC | 81.9° | 90.0° |
CAO | CAF | CAH | HAH | 179.3° | 180.0° |
CAF | CAH | CAR | HAH | 180.0° | 180.0° |
CAF | CAH | CAR | CAU | 179.2° | 179.9° |
CAH | CAR | CAU | OAM | 105.7° | 35.0° |
CAH | CAR | CAU | CAK | 15.8° | 84.8° |
CAH | CAR | CAG | HAG | 180.0° | 179.7° |
CAR | CAH | CAF | HAF | 179.3° | 179.9° |
CAH | CAR | CAU | HAU | 134.9° | 155.1° |
CAR | CAU | OAM | CAK | 123.5° | 120.0° |
CAR | CAU | OAM | HAU | 117.2° | 120.0° |
CAR | CAU | CAK | HAU | 117.1° | 120.0° |
CAR | CAU | OAM | CAS | 179.3° | 172.5° |
CAR | CAU | CAK | CAN | 174.7° | 178.7° |
CAU | CAR | CAG | HAG | 0.4° | 0.2° |
CAU | CAR | CAH | HAH | 0.8° | 0.0° |
CAR | CAU | CAK | HAK | 54.7° | 59.3° |
CAR | CAU | CAK | HAKA | 64.9° | 61.9° |
OAM | CAU | CAK | HAU | 119.6° | 120.0° |
OAM | CAU | CAK | CAN | 51.4° | 58.7° |
CAU | OAM | CAS | CAT | 30.6° | 22.3° |
CAU | OAM | CAS | CAJ | 150.8° | 157.8° |
OAM | CAU | CAK | HAK | 68.6° | 60.7° |
OAM | CAU | CAK | HAKA | 171.8° | 178.2° |
CAK | CAU | OAM | CAS | 55.8° | 52.5° |
CAU | CAK | CAN | HAK | 120.0° | 119.4° |
CAU | CAK | CAN | HAKA | 120.5° | 119.5° |
CAU | CAK | CAN | OAB | 152.0° | 139.8° |
CAU | CAK | CAN | CAT | 28.0° | 40.2° |
CAU | CAK | HAK | HAKA | 120.5° | 121.1° |
OAM | CAS | CAT | CAN | 1.9° | 0.7° |
OAM | CAS | CAT | CAJ | 178.5° | 179.9° |
OAM | CAS | CAT | CAQ | 178.4° | 179.4° |
OAM | CAS | CAJ | CAP | 178.9° | 179.6° |
CAS | OAM | CAU | HAU | 63.6° | 67.5° |
OAM | CAS | CAJ | HAJ | 1.1° | 0.4° |
CAK | CAN | OAB | CAT | 179.9° | 180.0° |
CAK | CAN | CAT | CAS | 2.4° | 12.1° |
CAK | CAN | CAT | CAQ | 177.9° | 167.9° |
CAN | CAK | CAU | HAU | 68.2° | 61.3° |
CAN | CAK | HAK | HAKA | 120.5° | 121.1° |
OAB | CAN | CAT | CAS | 177.7° | 167.9° |
OAB | CAN | CAT | CAQ | 2.1° | 12.1° |
OAB | CAN | CAK | HAK | 88.0° | 100.8° |
OAB | CAN | CAK | HAKA | 31.5° | 20.4° |
CAN | CAT | CAS | CAQ | 179.8° | 180.0° |
CAN | CAT | CAS | CAJ | 179.6° | 179.5° |
CAN | CAT | CAQ | CAI | 179.1° | 179.5° |
CAN | CAT | CAQ | OAD | 0.0° | 0.5° |
CAT | CAN | CAK | HAK | 92.0° | 79.2° |
CAT | CAN | CAK | HAKA | 148.5° | 159.6° |
CAT | CAS | CAJ | CAP | 0.3° | 0.3° |
CAS | CAT | CAQ | CAI | 0.7° | 0.4° |
CAS | CAT | CAQ | OAD | 179.7° | 179.6° |
CAT | CAS | CAJ | HAJ | 179.7° | 179.7° |
CAQ | CAT | CAS | CAJ | 0.2° | 0.5° |
CAT | CAQ | CAI | CAP | 0.7° | 0.1° |
CAT | CAQ | CAI | OAD | 179.1° | 180.0° |
CAT | CAQ | CAI | HAI | 179.3° | 179.9° |
CAT | CAQ | OAD | HOAD | 44.7° | 90.0° |
CAS | CAJ | CAP | HAJ | 180.0° | 180.0° |
CAS | CAJ | CAP | OAL | 178.5° | 179.9° |
CAS | CAJ | CAP | CAI | 0.3° | 0.1° |
CAJ | CAP | OAL | CAI | 178.1° | 180.0° |
CAJ | CAP | OAL | CAA | 161.2° | 180.0° |
CAJ | CAP | CAI | CAQ | 0.2° | 0.2° |
CAJ | CAP | CAI | HAI | 179.8° | 179.8° |
OAL | CAP | CAI | CAQ | 177.9° | 179.8° |
OAL | CAP | CAJ | HAJ | 1.5° | 0.0° |
CAP | OAL | CAA | HAA | 45.0° | 60.0° |
CAP | OAL | CAA | HAAA | 165.1° | 180.0° |
CAP | OAL | CAA | HAAB | 74.9° | 60.0° |
OAL | CAP | CAI | HAI | 2.1° | 0.2° |
CAI | CAP | OAL | CAA | 20.6° | 0.0° |
CAP | CAI | CAQ | HAI | 180.0° | 180.0° |
CAP | CAI | CAQ | OAD | 179.8° | 179.9° |
CAI | CAP | CAJ | HAJ | 179.7° | 180.0° |
OAL | CAA | HAA | HAAA | 120.0° | 120.0° |
OAL | CAA | HAA | HAAB | 120.0° | 120.0° |
OAL | CAA | HAAA | HAAB | 120.0° | 120.0° |
CAI | CAQ | OAD | HOAD | 134.4° | 90.0° |
OAD | CAQ | CAI | HAI | 0.2° | 0.1° |
HAG | CAG | CAE | HAE | 0.0° | 0.2° |
HAF | CAF | CAH | HAH | 0.7° | 0.1° |
HAU | CAU | CAK | HAK | 171.8° | 179.3° |
HAU | CAU | CAK | HAKA | 52.3° | 58.2° |
HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |