36C
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAA | CAB | doub | 1.21Å | 1.25Å | |
OBA | CAB | sing | 1.35Å | 1.25Å | |
CAB | CAC | sing | 1.48Å | 1.51Å | |
CAU | CAT | doub | 1.38Å | 1.39Å | Aromatic |
CAU | CAV | sing | 1.38Å | 1.39Å | Aromatic |
FAW | CAV | sing | 1.35Å | 1.34Å | |
CAT | CAS | sing | 1.38Å | 1.40Å | Aromatic |
CAV | CAY | doub | 1.38Å | 1.40Å | Aromatic |
CAC | NAD | doub | 1.32Å | 1.35Å | Aromatic |
CAC | CAP | sing | 1.41Å | 1.39Å | Aromatic |
NAD | CAE | sing | 1.33Å | 1.35Å | Aromatic |
NAQ | CAP | sing | 1.38Å | 1.35Å | |
NAQ | CAR | sing | 1.47Å | 1.32Å | |
CAS | CAR | sing | 1.51Å | 1.49Å | |
CAS | CAZ | doub | 1.38Å | 1.39Å | Aromatic |
CAY | CAZ | sing | 1.38Å | 1.40Å | Aromatic |
CAP | NAO | doub | 1.32Å | 1.36Å | Aromatic |
CAE | CAF | doub | 1.41Å | 1.39Å | Aromatic |
CAE | CAN | sing | 1.47Å | 1.41Å | Aromatic |
CAF | CAG | sing | 1.36Å | 1.40Å | Aromatic |
NAO | CAN | sing | 1.34Å | 1.35Å | Aromatic |
CAN | CAM | doub | 1.40Å | 1.40Å | Aromatic |
CAG | CAH | doub | 1.39Å | 1.40Å | Aromatic |
CAM | CAH | sing | 1.36Å | 1.39Å | Aromatic |
CAH | CAI | sing | 1.51Å | 1.50Å | |
FAL | CAI | sing | 1.40Å | 1.31Å | |
CAI | FAK | sing | 1.40Å | 1.32Å | |
CAI | FAJ | sing | 1.40Å | 1.31Å | |
CAY | H1 | sing | 1.08Å | 1.08Å | |
CAZ | H2 | sing | 1.08Å | 1.08Å | |
CAU | H3 | sing | 1.08Å | 1.08Å | |
CAT | H4 | sing | 1.08Å | 1.08Å | |
CAR | H5 | sing | 1.09Å | 1.10Å | |
CAR | H6 | sing | 1.09Å | 1.10Å | |
NAQ | H7 | sing | 0.97Å | 1.00Å | |
OBA | H8 | sing | 0.97Å | 0.95Å | |
CAF | H9 | sing | 1.08Å | 1.08Å | |
CAG | H10 | sing | 1.08Å | 1.08Å | |
CAM | H11 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAA | CAB | OBA | 120.5° | 120.0° |
OAA | CAB | CAC | 119.3° | 120.0° |
OBA | CAB | CAC | 120.2° | 120.0° |
CAB | OBA | H8 | 109.5° | 117.0° |
CAB | CAC | NAD | 117.6° | 119.5° |
CAB | CAC | CAP | 122.5° | 119.5° |
CAT | CAU | CAV | 119.0° | 120.0° |
CAU | CAT | CAS | 121.2° | 120.1° |
CAT | CAU | H3 | 120.5° | 120.0° |
CAU | CAT | H4 | 119.4° | 120.0° |
CAU | CAV | FAW | 119.3° | 120.1° |
CAU | CAV | CAY | 120.4° | 119.9° |
CAV | CAU | H3 | 120.5° | 120.0° |
FAW | CAV | CAY | 120.3° | 120.0° |
CAT | CAS | CAR | 118.5° | 120.0° |
CAT | CAS | CAZ | 119.5° | 120.0° |
CAS | CAT | H4 | 119.4° | 120.0° |
CAV | CAY | CAZ | 120.4° | 120.0° |
CAV | CAY | H1 | 119.8° | 120.0° |
NAD | CAC | CAP | 119.9° | 121.0° |
CAC | NAD | CAE | 120.3° | 119.6° |
CAC | CAP | NAQ | 117.4° | 119.5° |
CAC | CAP | NAO | 120.5° | 121.0° |
NAD | CAE | CAF | 119.3° | 121.7° |
NAD | CAE | CAN | 119.8° | 119.5° |
CAP | NAQ | CAR | 129.0° | 120.0° |
NAQ | CAP | NAO | 122.1° | 119.5° |
CAP | NAQ | H7 | 104.4° | 120.0° |
NAQ | CAR | CAS | 113.1° | 109.4° |
NAQ | CAR | H5 | 108.5° | 109.5° |
NAQ | CAR | H6 | 108.6° | 109.5° |
CAR | NAQ | H7 | 104.4° | 120.0° |
CAR | CAS | CAZ | 122.0° | 120.0° |
CAS | CAR | H5 | 108.5° | 109.5° |
CAS | CAR | H6 | 108.6° | 109.5° |
CAS | CAZ | CAY | 119.6° | 120.0° |
CAS | CAZ | H2 | 120.2° | 120.0° |
CAZ | CAY | H1 | 119.8° | 120.0° |
CAY | CAZ | H2 | 120.2° | 120.0° |
CAP | NAO | CAN | 119.4° | 119.5° |
CAF | CAE | CAN | 120.9° | 118.8° |
CAE | CAF | CAG | 118.7° | 119.5° |
CAE | CAF | H9 | 120.6° | 120.2° |
CAE | CAN | NAO | 120.1° | 119.4° |
CAE | CAN | CAM | 119.9° | 118.8° |
CAF | CAG | CAH | 120.7° | 121.7° |
CAG | CAF | H9 | 120.7° | 120.3° |
CAF | CAG | H10 | 119.6° | 119.2° |
NAO | CAN | CAM | 120.0° | 121.8° |
CAN | CAM | CAH | 119.4° | 119.6° |
CAN | CAM | H11 | 120.3° | 120.2° |
CAG | CAH | CAM | 120.4° | 121.6° |
CAG | CAH | CAI | 119.2° | 119.2° |
CAH | CAG | H10 | 119.7° | 119.2° |
CAM | CAH | CAI | 120.4° | 119.2° |
CAH | CAM | H11 | 120.3° | 120.3° |
CAH | CAI | FAL | 106.8° | 109.5° |
CAH | CAI | FAK | 112.2° | 109.5° |
CAH | CAI | FAJ | 110.8° | 109.5° |
FAL | CAI | FAK | 108.8° | 109.5° |
FAL | CAI | FAJ | 108.3° | 109.4° |
FAK | CAI | FAJ | 109.7° | 109.5° |
H5 | CAR | H6 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAA | CAB | OBA | CAC | 178.1° | 180.0° |
OAA | CAB | CAC | NAD | 18.2° | 174.3° |
OAA | CAB | CAC | CAP | 162.5° | 5.7° |
OAA | CAB | OBA | H8 | 0.0° | 0.1° |
OBA | CAB | CAC | NAD | 159.9° | 5.7° |
OBA | CAB | CAC | CAP | 19.4° | 174.2° |
CAB | CAC | NAD | CAP | 179.3° | 180.0° |
CAB | CAC | NAD | CAE | 179.2° | 180.0° |
CAB | CAC | CAP | NAQ | 0.7° | 0.1° |
CAB | CAC | CAP | NAO | 179.1° | 179.7° |
CAC | CAB | OBA | H8 | 178.1° | 180.0° |
CAT | CAU | CAV | H3 | 180.0° | 179.9° |
CAT | CAU | CAV | FAW | 179.8° | 180.0° |
CAU | CAT | CAS | H4 | 180.0° | 180.0° |
CAT | CAU | CAV | CAY | 0.2° | 0.2° |
CAU | CAT | CAS | CAR | 180.0° | 180.0° |
CAU | CAT | CAS | CAZ | 0.2° | 0.3° |
CAU | CAV | FAW | CAY | 179.6° | 179.8° |
CAV | CAU | CAT | CAS | 0.0° | 0.0° |
CAU | CAV | CAY | CAZ | 0.1° | 0.2° |
CAU | CAV | CAY | H1 | 179.9° | 179.7° |
CAV | CAU | CAT | H4 | 180.0° | 179.9° |
FAW | CAV | CAY | CAZ | 179.7° | 180.0° |
FAW | CAV | CAY | H1 | 0.3° | 0.0° |
FAW | CAV | CAU | H3 | 0.2° | 0.1° |
CAT | CAS | CAR | NAQ | 0.6° | 90.0° |
CAT | CAS | CAR | CAZ | 179.7° | 179.7° |
CAT | CAS | CAZ | CAY | 0.3° | 0.3° |
CAT | CAS | CAZ | H2 | 179.7° | 179.7° |
CAS | CAT | CAU | H3 | 180.0° | 180.0° |
CAT | CAS | CAR | H5 | 121.2° | 150.0° |
CAT | CAS | CAR | H6 | 119.9° | 30.0° |
CAV | CAY | CAZ | CAS | 0.2° | 0.0° |
CAV | CAY | CAZ | H1 | 180.0° | 179.9° |
CAV | CAY | CAZ | H2 | 179.8° | 180.0° |
CAY | CAV | CAU | H3 | 179.8° | 179.7° |
NAD | CAC | CAP | NAQ | 178.6° | 180.0° |
NAD | CAC | CAP | NAO | 0.2° | 0.3° |
CAC | NAD | CAE | CAF | 179.5° | 180.0° |
CAC | NAD | CAE | CAN | 0.4° | 0.0° |
CAP | CAC | NAD | CAE | 0.1° | 0.0° |
CAC | CAP | NAQ | NAO | 178.4° | 179.6° |
CAC | CAP | NAQ | CAR | 162.3° | 174.9° |
CAC | CAP | NAO | CAN | 0.2° | 0.7° |
CAC | CAP | NAQ | H7 | 75.2° | 5.1° |
NAD | CAE | CAF | CAN | 179.9° | 180.0° |
NAD | CAE | CAF | CAG | 179.2° | 179.9° |
NAD | CAE | CAN | NAO | 0.8° | 0.3° |
NAD | CAE | CAN | CAM | 179.9° | 179.9° |
NAD | CAE | CAF | H9 | 0.8° | 0.0° |
CAP | NAQ | CAR | H7 | 122.5° | 180.0° |
CAP | NAQ | CAR | CAS | 177.6° | 180.0° |
NAQ | CAP | NAO | CAN | 178.1° | 179.7° |
CAP | NAQ | CAR | H5 | 61.8° | 60.0° |
CAP | NAQ | CAR | H6 | 57.0° | 60.0° |
NAQ | CAR | CAS | H5 | 120.5° | 120.0° |
NAQ | CAR | CAS | H6 | 120.6° | 120.0° |
NAQ | CAR | CAS | CAZ | 179.1° | 90.3° |
CAR | NAQ | CAP | NAO | 19.4° | 5.5° |
NAQ | CAR | H5 | H6 | 118.3° | 120.0° |
CAR | CAS | CAZ | CAY | 179.9° | 180.0° |
CAR | CAS | CAZ | H2 | 0.1° | 0.0° |
CAR | CAS | CAT | H4 | 0.0° | 0.0° |
CAS | CAR | H5 | H6 | 118.3° | 120.0° |
CAS | CAR | NAQ | H7 | 55.1° | 0.0° |
CAS | CAZ | CAY | H2 | 180.0° | 180.0° |
CAS | CAZ | CAY | H1 | 179.8° | 180.0° |
CAZ | CAS | CAT | H4 | 179.8° | 179.7° |
CAZ | CAS | CAR | H5 | 58.6° | 29.7° |
CAZ | CAS | CAR | H6 | 60.3° | 149.7° |
CAP | NAO | CAN | CAE | 0.7° | 0.7° |
CAP | NAO | CAN | CAM | 179.9° | 179.7° |
NAO | CAP | NAQ | H7 | 103.2° | 174.5° |
CAE | CAF | CAG | H9 | 180.0° | 180.0° |
CAF | CAE | CAN | NAO | 179.1° | 179.6° |
CAF | CAE | CAN | CAM | 0.1° | 0.0° |
CAE | CAF | CAG | CAH | 1.3° | 0.0° |
CAE | CAF | CAG | H10 | 178.7° | 180.0° |
CAN | CAE | CAF | CAG | 0.9° | 0.0° |
CAE | CAN | NAO | CAM | 179.3° | 179.6° |
CAE | CAN | CAM | CAH | 0.2° | 0.1° |
CAN | CAE | CAF | H9 | 179.2° | 180.0° |
CAE | CAN | CAM | H11 | 179.8° | 180.0° |
CAF | CAG | CAH | H10 | 180.0° | 180.0° |
CAF | CAG | CAH | CAM | 1.1° | 0.1° |
CAF | CAG | CAH | CAI | 179.7° | 180.0° |
NAO | CAN | CAM | CAH | 179.4° | 179.7° |
NAO | CAN | CAM | H11 | 0.6° | 0.4° |
CAN | CAM | CAH | CAG | 0.3° | 0.1° |
CAN | CAM | CAH | H11 | 180.0° | 180.0° |
CAN | CAM | CAH | CAI | 179.5° | 180.0° |
CAG | CAH | CAM | CAI | 179.2° | 180.0° |
CAG | CAH | CAI | FAL | 49.3° | 120.0° |
CAG | CAH | CAI | FAK | 168.5° | 0.0° |
CAG | CAH | CAI | FAJ | 68.5° | 120.0° |
CAH | CAG | CAF | H9 | 178.7° | 180.0° |
CAG | CAH | CAM | H11 | 179.7° | 180.0° |
CAM | CAH | CAI | FAL | 129.9° | 60.0° |
CAM | CAH | CAI | FAK | 10.8° | 180.0° |
CAM | CAH | CAI | FAJ | 112.3° | 60.0° |
CAM | CAH | CAG | H10 | 178.9° | 180.0° |
CAH | CAI | FAL | FAK | 121.4° | 120.0° |
CAH | CAI | FAL | FAJ | 119.4° | 120.0° |
CAH | CAI | FAK | FAJ | 123.7° | 120.0° |
CAI | CAH | CAG | H10 | 0.3° | 0.0° |
CAI | CAH | CAM | H11 | 0.5° | 0.0° |
FAL | CAI | FAK | FAJ | 118.3° | 120.0° |
H1 | CAY | CAZ | H2 | 0.2° | 0.0° |
H3 | CAU | CAT | H4 | 0.0° | 0.0° |
H5 | CAR | NAQ | H7 | 175.6° | 120.0° |
H6 | CAR | NAQ | H7 | 65.5° | 120.0° |
H9 | CAF | CAG | H10 | 1.3° | 0.0° |