YI1
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
FAG | CAE | sing | 1.40Å | 1.34Å | |
CAE | FAF | sing | 1.40Å | 1.32Å | |
CAE | PAB | sing | 1.82Å | 1.87Å | |
CAE | CAH | sing | 1.51Å | 1.53Å | |
PAB | OAC | doub | 1.48Å | 1.50Å | |
PAB | OAA | sing | 1.61Å | 1.55Å | |
PAB | OAD | sing | 1.61Å | 1.52Å | |
CAH | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
CAH | CAI | doub | 1.38Å | 1.41Å | Aromatic |
CAJ | CAK | doub | 1.38Å | 1.39Å | Aromatic |
CAK | CAL | sing | 1.38Å | 1.40Å | Aromatic |
CAL | CAM | doub | 1.39Å | 1.39Å | Aromatic |
CAM | CAI | sing | 1.39Å | 1.41Å | Aromatic |
CAM | CAN | sing | 1.48Å | 1.42Å | Aromatic |
CAN | CAQ | sing | 1.39Å | 1.40Å | Aromatic |
CAN | CAO | doub | 1.39Å | 1.41Å | Aromatic |
CAQ | CAR | doub | 1.38Å | 1.39Å | Aromatic |
CAR | CAS | sing | 1.38Å | 1.38Å | Aromatic |
CAS | CAP | doub | 1.38Å | 1.39Å | Aromatic |
CAS | CAT | sing | 1.51Å | 1.52Å | |
CAP | CAO | sing | 1.38Å | 1.40Å | Aromatic |
CAT | OAU | sing | 1.43Å | 1.42Å | |
OAU | NAV | sing | 1.46Å | 1.45Å | |
OAA | HAA | sing | 0.97Å | 0.95Å | |
OAD | HAD | sing | 0.97Å | 0.95Å | |
CAJ | HAJ | sing | 1.08Å | 1.08Å | |
CAI | HAI | sing | 1.08Å | 1.08Å | |
CAK | HAK | sing | 1.08Å | 1.08Å | |
CAL | HAL | sing | 1.08Å | 1.08Å | |
CAQ | HAQ | 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 | |
CAT | HAT1 | sing | 1.09Å | 1.10Å | |
CAT | HAT2 | sing | 1.09Å | 1.10Å | |
NAV | HAV1 | sing | 1.01Å | 1.00Å | |
NAV | HAV2 | sing | 1.01Å | 1.00Å | |
NAV | HAV3 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
FAG | CAE | FAF | 112.6° | 109.4° |
FAG | CAE | PAB | 109.7° | 109.5° |
FAG | CAE | CAH | 105.2° | 109.5° |
FAF | CAE | PAB | 104.8° | 109.4° |
FAF | CAE | CAH | 107.5° | 109.5° |
PAB | CAE | CAH | 117.4° | 109.5° |
CAE | PAB | OAC | 104.2° | 109.5° |
CAE | PAB | OAA | 108.9° | 109.5° |
CAE | PAB | OAD | 99.7° | 109.5° |
CAE | CAH | CAJ | 121.4° | 119.9° |
CAE | CAH | CAI | 119.2° | 119.9° |
OAC | PAB | OAA | 113.7° | 109.5° |
OAC | PAB | OAD | 113.6° | 109.5° |
OAA | PAB | OAD | 115.0° | 109.5° |
PAB | OAA | HAA | 109.5° | 114.0° |
PAB | OAD | HAD | 109.5° | 114.0° |
CAJ | CAH | CAI | 119.4° | 120.1° |
CAH | CAJ | CAK | 119.6° | 120.2° |
CAH | CAJ | HAJ | 120.2° | 119.9° |
CAH | CAI | CAM | 121.5° | 119.9° |
CAH | CAI | HAI | 119.3° | 120.1° |
CAJ | CAK | CAL | 120.7° | 120.2° |
CAK | CAJ | HAJ | 120.2° | 119.9° |
CAJ | CAK | HAK | 119.6° | 119.9° |
CAK | CAL | CAM | 120.9° | 119.8° |
CAL | CAK | HAK | 119.6° | 119.9° |
CAK | CAL | HAL | 119.6° | 120.0° |
CAL | CAM | CAI | 117.9° | 119.8° |
CAL | CAM | CAN | 121.3° | 120.1° |
CAM | CAL | HAL | 119.5° | 120.1° |
CAI | CAM | CAN | 120.8° | 120.1° |
CAM | CAI | HAI | 119.3° | 120.1° |
CAM | CAN | CAQ | 120.6° | 120.1° |
CAM | CAN | CAO | 122.8° | 120.1° |
CAQ | CAN | CAO | 116.6° | 119.8° |
CAN | CAQ | CAR | 122.5° | 119.9° |
CAN | CAQ | HAQ | 118.7° | 120.1° |
CAN | CAO | CAP | 120.8° | 119.8° |
CAN | CAO | HAO | 119.6° | 120.1° |
CAQ | CAR | CAS | 120.6° | 120.1° |
CAR | CAQ | HAQ | 118.8° | 120.0° |
CAQ | CAR | HAR | 119.7° | 119.9° |
CAR | CAS | CAP | 118.3° | 120.2° |
CAR | CAS | CAT | 117.2° | 119.8° |
CAS | CAR | HAR | 119.7° | 120.0° |
CAP | CAS | CAT | 124.4° | 119.9° |
CAS | CAP | CAO | 121.2° | 120.2° |
CAS | CAP | HAP | 119.4° | 119.9° |
CAS | CAT | OAU | 111.1° | 109.5° |
CAS | CAT | HAT1 | 108.9° | 109.4° |
CAS | CAT | HAT2 | 108.6° | 109.4° |
CAP | CAO | HAO | 119.6° | 120.1° |
CAO | CAP | HAP | 119.4° | 120.0° |
CAT | OAU | NAV | 120.2° | 114.0° |
OAU | CAT | HAT1 | 108.9° | 109.5° |
OAU | CAT | HAT2 | 108.6° | 109.5° |
OAU | NAV | HAV1 | 109.5° | 109.5° |
OAU | NAV | HAV2 | 109.5° | 109.5° |
OAU | NAV | HAV3 | 109.4° | 109.5° |
HAT1 | CAT | HAT2 | 110.7° | 109.5° |
HAV1 | NAV | HAV2 | 109.5° | 109.5° |
HAV1 | NAV | HAV3 | 109.5° | 109.4° |
HAV2 | NAV | HAV3 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
FAG | CAE | FAF | PAB | 119.1° | 120.0° |
FAG | CAE | FAF | CAH | 115.3° | 120.0° |
FAG | CAE | PAB | CAH | 119.8° | 120.0° |
FAG | CAE | PAB | OAC | 174.7° | 57.4° |
FAG | CAE | PAB | OAA | 53.0° | 62.6° |
FAG | CAE | PAB | OAD | 67.8° | 177.4° |
FAG | CAE | CAH | CAJ | 163.8° | 31.5° |
FAG | CAE | CAH | CAI | 13.2° | 148.2° |
FAF | CAE | PAB | CAH | 119.1° | 120.0° |
FAF | CAE | PAB | OAC | 64.3° | 62.6° |
FAF | CAE | PAB | OAA | 174.1° | 177.4° |
FAF | CAE | PAB | OAD | 53.3° | 57.4° |
FAF | CAE | CAH | CAJ | 43.7° | 151.5° |
FAF | CAE | CAH | CAI | 133.3° | 28.2° |
CAE | PAB | OAC | OAA | 118.4° | 120.0° |
CAE | PAB | OAC | OAD | 107.5° | 120.0° |
CAE | PAB | OAA | OAD | 110.9° | 120.0° |
PAB | CAE | CAH | CAJ | 74.0° | 88.5° |
PAB | CAE | CAH | CAI | 109.0° | 91.8° |
CAE | PAB | OAA | HAA | 123.6° | 180.0° |
CAE | PAB | OAD | HAD | 59.4° | 65.5° |
CAH | CAE | PAB | OAC | 54.8° | 177.4° |
CAH | CAE | PAB | OAA | 66.8° | 57.4° |
CAH | CAE | PAB | OAD | 172.4° | 62.6° |
CAE | CAH | CAJ | CAI | 176.9° | 179.7° |
CAE | CAH | CAJ | CAK | 179.8° | 180.0° |
CAE | CAH | CAI | CAM | 179.2° | 179.7° |
CAE | CAH | CAJ | HAJ | 0.2° | 0.0° |
CAE | CAH | CAI | HAI | 0.8° | 0.0° |
OAC | PAB | OAA | OAD | 133.4° | 120.0° |
OAC | PAB | OAA | HAA | 7.9° | 60.0° |
OAC | PAB | OAD | HAD | 169.7° | 174.5° |
OAA | PAB | OAD | HAD | 56.9° | 54.5° |
OAD | PAB | OAA | HAA | 125.5° | 60.0° |
CAH | CAJ | CAK | HAJ | 180.0° | 180.0° |
CAH | CAJ | CAK | CAL | 1.7° | 0.0° |
CAJ | CAH | CAI | CAM | 2.2° | 0.6° |
CAJ | CAH | CAI | HAI | 177.8° | 179.7° |
CAH | CAJ | CAK | HAK | 178.3° | 180.0° |
CAI | CAH | CAJ | CAK | 2.9° | 0.2° |
CAH | CAI | CAM | CAL | 0.1° | 0.6° |
CAH | CAI | CAM | HAI | 180.0° | 179.7° |
CAH | CAI | CAM | CAN | 179.5° | 179.7° |
CAI | CAH | CAJ | HAJ | 177.1° | 179.8° |
CAJ | CAK | CAL | HAK | 180.0° | 179.9° |
CAJ | CAK | CAL | CAM | 0.4° | 0.0° |
CAJ | CAK | CAL | HAL | 179.7° | 179.9° |
CAK | CAL | CAM | HAL | 180.0° | 179.9° |
CAK | CAL | CAM | CAI | 1.1° | 0.3° |
CAK | CAL | CAM | CAN | 179.2° | 180.0° |
CAL | CAK | CAJ | HAJ | 178.3° | 180.0° |
CAL | CAM | CAI | CAN | 179.7° | 179.7° |
CAL | CAM | CAN | CAQ | 177.3° | 0.0° |
CAL | CAM | CAN | CAO | 1.6° | 179.7° |
CAL | CAM | CAI | HAI | 179.9° | 179.7° |
CAM | CAL | CAK | HAK | 179.7° | 180.0° |
CAI | CAM | CAN | CAQ | 3.0° | 179.7° |
CAI | CAM | CAN | CAO | 178.0° | 0.0° |
CAI | CAM | CAL | HAL | 178.9° | 179.8° |
CAM | CAN | CAQ | CAO | 179.0° | 179.7° |
CAM | CAN | CAQ | CAR | 179.2° | 180.0° |
CAM | CAN | CAO | CAP | 179.9° | 179.8° |
CAN | CAM | CAI | HAI | 0.5° | 0.1° |
CAN | CAM | CAL | HAL | 0.8° | 0.0° |
CAM | CAN | CAQ | HAQ | 0.8° | 0.1° |
CAM | CAN | CAO | HAO | 0.0° | 0.0° |
CAN | CAQ | CAR | HAQ | 180.0° | 179.9° |
CAN | CAQ | CAR | CAS | 2.1° | 0.0° |
CAQ | CAN | CAO | CAP | 1.0° | 0.6° |
CAQ | CAN | CAO | HAO | 179.0° | 179.7° |
CAN | CAQ | CAR | HAR | 177.8° | 179.9° |
CAO | CAN | CAQ | CAR | 1.8° | 0.3° |
CAN | CAO | CAP | CAS | 0.4° | 0.5° |
CAN | CAO | CAP | HAO | 180.0° | 179.8° |
CAO | CAN | CAQ | HAQ | 178.1° | 179.8° |
CAN | CAO | CAP | HAP | 179.6° | 179.7° |
CAQ | CAR | CAS | HAR | 180.0° | 179.9° |
CAQ | CAR | CAS | CAP | 1.5° | 0.0° |
CAQ | CAR | CAS | CAT | 179.7° | 180.0° |
CAR | CAS | CAP | CAT | 178.1° | 180.0° |
CAR | CAS | CAP | CAO | 0.6° | 0.3° |
CAR | CAS | CAT | OAU | 138.3° | 90.0° |
CAS | CAR | CAQ | HAQ | 177.8° | 180.0° |
CAR | CAS | CAP | HAP | 179.4° | 180.0° |
CAR | CAS | CAT | HAT1 | 18.3° | 150.0° |
CAR | CAS | CAT | HAT2 | 102.4° | 30.0° |
CAS | CAP | CAO | HAP | 180.0° | 179.8° |
CAP | CAS | CAT | OAU | 43.6° | 90.0° |
CAS | CAP | CAO | HAO | 179.6° | 179.7° |
CAP | CAS | CAR | HAR | 178.5° | 179.9° |
CAP | CAS | CAT | HAT1 | 163.6° | 30.0° |
CAP | CAS | CAT | HAT2 | 75.7° | 150.0° |
CAT | CAS | CAP | CAO | 178.7° | 179.8° |
CAS | CAT | OAU | HAT1 | 120.0° | 120.0° |
CAS | CAT | OAU | HAT2 | 119.3° | 120.0° |
CAS | CAT | OAU | NAV | 62.4° | 180.0° |
CAT | CAS | CAR | HAR | 0.3° | 0.0° |
CAT | CAS | CAP | HAP | 1.3° | 0.0° |
CAS | CAT | HAT1 | HAT2 | 119.3° | 120.0° |
OAU | CAT | HAT1 | HAT2 | 119.3° | 120.0° |
CAT | OAU | NAV | HAV1 | 163.4° | 180.0° |
CAT | OAU | NAV | HAV2 | 76.6° | 60.0° |
CAT | OAU | NAV | HAV3 | 43.4° | 60.0° |
NAV | OAU | CAT | HAT1 | 177.6° | 60.0° |
NAV | OAU | CAT | HAT2 | 56.9° | 60.1° |
OAU | NAV | HAV1 | HAV2 | 120.0° | 120.0° |
OAU | NAV | HAV1 | HAV3 | 120.0° | 120.0° |
OAU | NAV | HAV2 | HAV3 | 119.9° | 120.0° |
HAJ | CAJ | CAK | HAK | 1.7° | 0.0° |
HAK | CAK | CAL | HAL | 0.3° | 0.0° |
HAQ | CAQ | CAR | HAR | 2.2° | 0.0° |
HAO | CAO | CAP | HAP | 0.4° | 0.1° |
HAV1 | NAV | HAV2 | HAV3 | 120.0° | 120.0° |