453
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAT | CAP | doub | 1.22Å | 1.23Å | |
CAP | NAO | sing | 1.35Å | 1.35Å | |
CAP | NAQ | sing | 1.34Å | 1.31Å | |
NAO | CAN | sing | 1.47Å | 1.46Å | |
NAQ | CAR | sing | 1.37Å | 1.42Å | |
CAN | CAM | sing | 1.52Å | 1.47Å | |
CAN | CAU | sing | 1.51Å | 1.47Å | |
CAR | CAM | doub | 1.35Å | 1.40Å | |
CAR | CAS | sing | 1.51Å | 1.49Å | |
OAL | CAK | doub | 1.22Å | 1.22Å | |
CAM | CAK | sing | 1.42Å | 1.48Å | |
CAK | NAJ | sing | 1.35Å | 1.31Å | |
CAU | CAZ | doub | 1.38Å | 1.37Å | Aromatic |
CAU | CAV | sing | 1.38Å | 1.39Å | Aromatic |
CAZ | CAY | sing | 1.40Å | 1.38Å | Aromatic |
CAV | CAW | doub | 1.38Å | 1.38Å | Aromatic |
CAF | CAG | doub | 1.38Å | 1.41Å | Aromatic |
CAF | CAD | sing | 1.40Å | 1.39Å | Aromatic |
NAJ | CAG | sing | 1.40Å | 1.35Å | |
CAC | CAD | sing | 1.46Å | 1.42Å | Aromatic |
CAC | NAB | doub | 1.30Å | 1.37Å | Aromatic |
CAY | CBB | sing | 1.48Å | 1.50Å | |
CAY | CAX | doub | 1.40Å | 1.35Å | Aromatic |
CAG | CAH | sing | 1.39Å | 1.41Å | Aromatic |
CAD | CAE | doub | 1.41Å | 1.46Å | Aromatic |
CAW | CAX | sing | 1.38Å | 1.38Å | Aromatic |
CBB | OBC | doub | 1.22Å | 1.20Å | |
CBB | NBD | sing | 1.35Å | 1.32Å | |
NBD | CBE | sing | 1.46Å | 1.44Å | |
CAX | FBA | sing | 1.35Å | 1.32Å | |
NAB | NAA | sing | 1.40Å | 1.41Å | Aromatic |
CBE | CBF | sing | 1.51Å | 1.51Å | |
CAH | CAI | doub | 1.36Å | 1.39Å | Aromatic |
CAE | NAA | sing | 1.37Å | 1.33Å | Aromatic |
CAE | CAI | sing | 1.39Å | 1.38Å | Aromatic |
CBF | CBK | doub | 1.38Å | 1.38Å | Aromatic |
CBF | NBG | sing | 1.32Å | 1.34Å | Aromatic |
CBK | CBJ | sing | 1.39Å | 1.39Å | Aromatic |
NBG | CBH | doub | 1.32Å | 1.34Å | Aromatic |
CBJ | CBI | doub | 1.39Å | 1.39Å | Aromatic |
CBH | CBI | sing | 1.38Å | 1.39Å | Aromatic |
NBD | H1 | sing | 0.97Å | 1.00Å | |
CBE | H2 | sing | 1.09Å | 1.10Å | |
CBE | H3 | sing | 1.09Å | 1.10Å | |
CBK | H4 | sing | 1.08Å | 1.08Å | |
CBJ | H5 | sing | 1.08Å | 1.08Å | |
CBI | H6 | sing | 1.08Å | 1.08Å | |
CBH | H7 | sing | 1.08Å | 1.08Å | |
CAZ | H8 | sing | 1.08Å | 1.08Å | |
CAW | H9 | sing | 1.08Å | 1.08Å | |
CAV | H10 | sing | 1.08Å | 1.08Å | |
CAN | H11 | sing | 1.09Å | 1.10Å | |
NAO | H12 | sing | 0.97Å | 1.00Å | |
NAQ | H13 | sing | 0.97Å | 1.00Å | |
CAS | H14 | sing | 1.09Å | 1.10Å | |
CAS | H15 | sing | 1.09Å | 1.10Å | |
CAS | H16 | sing | 1.09Å | 1.10Å | |
NAJ | H17 | sing | 0.97Å | 1.00Å | |
CAF | H18 | sing | 1.08Å | 1.08Å | |
CAH | H19 | sing | 1.08Å | 1.08Å | |
CAI | H20 | sing | 1.08Å | 1.08Å | |
NAA | H21 | sing | 0.97Å | 1.00Å | |
CAC | H22 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAT | CAP | NAO | 121.8° | 119.0° |
OAT | CAP | NAQ | 118.8° | 118.9° |
NAO | CAP | NAQ | 119.4° | 122.1° |
CAP | NAO | CAN | 126.5° | 118.5° |
CAP | NAO | H12 | 116.8° | 120.7° |
CAP | NAQ | CAR | 117.7° | 123.6° |
CAP | NAQ | H13 | 121.2° | 118.2° |
NAO | CAN | CAM | 110.3° | 116.9° |
NAO | CAN | CAU | 110.9° | 108.0° |
NAO | CAN | H11 | 108.0° | 107.9° |
CAN | NAO | H12 | 116.8° | 120.8° |
NAQ | CAR | CAM | 124.5° | 121.1° |
NAQ | CAR | CAS | 108.7° | 119.5° |
CAR | NAQ | H13 | 121.2° | 118.2° |
CAM | CAN | CAU | 111.8° | 107.9° |
CAN | CAM | CAR | 116.6° | 117.7° |
CAN | CAM | CAK | 133.5° | 121.2° |
CAM | CAN | H11 | 107.8° | 107.9° |
CAN | CAU | CAZ | 122.1° | 119.9° |
CAN | CAU | CAV | 117.6° | 119.9° |
CAU | CAN | H11 | 107.9° | 107.8° |
CAM | CAR | CAS | 126.8° | 119.5° |
CAR | CAM | CAK | 109.8° | 121.1° |
CAR | CAS | H14 | 109.5° | 109.5° |
CAR | CAS | H15 | 109.5° | 109.5° |
CAR | CAS | H16 | 109.5° | 109.4° |
OAL | CAK | CAM | 112.4° | 120.0° |
OAL | CAK | NAJ | 125.1° | 120.0° |
CAM | CAK | NAJ | 122.4° | 120.0° |
CAK | NAJ | CAG | 123.1° | 120.0° |
CAK | NAJ | H17 | 118.5° | 120.0° |
CAZ | CAU | CAV | 120.3° | 120.2° |
CAU | CAZ | CAY | 120.1° | 119.9° |
CAU | CAZ | H8 | 119.9° | 120.1° |
CAU | CAV | CAW | 118.8° | 120.4° |
CAU | CAV | H10 | 120.6° | 119.8° |
CAZ | CAY | CBB | 118.9° | 120.2° |
CAZ | CAY | CAX | 119.6° | 119.7° |
CAY | CAZ | H8 | 119.9° | 120.1° |
CAV | CAW | CAX | 120.0° | 120.1° |
CAV | CAW | H9 | 120.0° | 119.9° |
CAW | CAV | H10 | 120.6° | 119.8° |
CAG | CAF | CAD | 118.6° | 119.4° |
CAF | CAG | NAJ | 127.1° | 119.8° |
CAF | CAG | CAH | 119.2° | 120.3° |
CAG | CAF | H18 | 120.7° | 120.3° |
CAF | CAD | CAC | 131.7° | 133.9° |
CAF | CAD | CAE | 120.6° | 119.7° |
CAD | CAF | H18 | 120.7° | 120.2° |
NAJ | CAG | CAH | 113.3° | 119.9° |
CAG | NAJ | H17 | 118.4° | 120.0° |
CAD | CAC | NAB | 107.9° | 107.8° |
CAC | CAD | CAE | 107.7° | 106.3° |
CAD | CAC | H22 | 126.0° | 126.1° |
CAC | NAB | NAA | 106.9° | 110.1° |
NAB | CAC | H22 | 126.1° | 126.1° |
CBB | CAY | CAX | 121.5° | 120.1° |
CAY | CBB | OBC | 118.4° | 120.0° |
CAY | CBB | NBD | 121.2° | 120.0° |
CAY | CAX | CAW | 121.2° | 119.7° |
CAY | CAX | FBA | 119.6° | 120.1° |
CAG | CAH | CAI | 123.3° | 120.8° |
CAG | CAH | H19 | 118.4° | 119.6° |
CAD | CAE | NAA | 104.4° | 106.7° |
CAD | CAE | CAI | 119.8° | 119.6° |
CAW | CAX | FBA | 119.2° | 120.1° |
CAX | CAW | H9 | 120.0° | 119.9° |
OBC | CBB | NBD | 120.4° | 120.0° |
CBB | NBD | CBE | 122.6° | 120.0° |
CBB | NBD | H1 | 118.7° | 120.0° |
NBD | CBE | CBF | 111.9° | 109.5° |
CBE | NBD | H1 | 118.7° | 120.0° |
NBD | CBE | H2 | 108.8° | 109.5° |
NBD | CBE | H3 | 108.9° | 109.5° |
NAB | NAA | CAE | 113.2° | 109.0° |
NAB | NAA | H21 | 123.4° | 125.4° |
CBE | CBF | CBK | 119.2° | 119.6° |
CBE | CBF | NBG | 121.1° | 119.6° |
CBF | CBE | H2 | 108.9° | 109.5° |
CBF | CBE | H3 | 108.8° | 109.5° |
CAH | CAI | CAE | 118.3° | 120.1° |
CAI | CAH | H19 | 118.4° | 119.6° |
CAH | CAI | H20 | 120.8° | 119.9° |
NAA | CAE | CAI | 135.8° | 133.6° |
CAE | NAA | H21 | 123.4° | 125.5° |
CAE | CAI | H20 | 120.8° | 120.0° |
CBK | CBF | NBG | 119.7° | 120.8° |
CBF | CBK | CBJ | 120.5° | 119.2° |
CBF | CBK | H4 | 119.8° | 120.4° |
CBF | NBG | CBH | 121.5° | 121.7° |
CBK | CBJ | CBI | 118.2° | 118.4° |
CBJ | CBK | H4 | 119.8° | 120.4° |
CBK | CBJ | H5 | 120.9° | 120.8° |
NBG | CBH | CBI | 120.8° | 120.8° |
NBG | CBH | H7 | 119.6° | 119.6° |
CBJ | CBI | CBH | 119.3° | 119.2° |
CBI | CBJ | H5 | 120.9° | 120.8° |
CBJ | CBI | H6 | 120.4° | 120.4° |
CBH | CBI | H6 | 120.4° | 120.4° |
CBI | CBH | H7 | 119.6° | 119.6° |
H2 | CBE | H3 | 109.5° | 109.5° |
H14 | CAS | H15 | 109.5° | 109.5° |
H14 | CAS | H16 | 109.4° | 109.5° |
H15 | CAS | H16 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAT | CAP | NAO | NAQ | 178.5° | 180.0° |
OAT | CAP | NAO | CAN | 170.0° | 180.0° |
OAT | CAP | NAQ | CAR | 169.8° | 180.0° |
OAT | CAP | NAO | H12 | 10.0° | 0.1° |
OAT | CAP | NAQ | H13 | 10.2° | 0.0° |
CAP | NAO | CAN | H12 | 180.0° | 179.9° |
NAO | CAP | NAQ | CAR | 8.8° | 0.0° |
CAP | NAO | CAN | CAM | 24.8° | 0.0° |
CAP | NAO | CAN | CAU | 99.6° | 121.9° |
CAP | NAO | CAN | H11 | 142.4° | 121.8° |
NAO | CAP | NAQ | H13 | 171.2° | 180.0° |
NAQ | CAP | NAO | CAN | 11.5° | 0.0° |
CAP | NAQ | CAR | H13 | 180.0° | 180.0° |
CAP | NAQ | CAR | CAM | 14.1° | 0.0° |
CAP | NAQ | CAR | CAS | 163.7° | 180.0° |
NAQ | CAP | NAO | H12 | 168.5° | 179.9° |
NAO | CAN | CAM | CAU | 123.9° | 121.9° |
NAO | CAN | CAM | H11 | 117.7° | 121.8° |
NAO | CAN | CAU | H11 | 118.1° | 116.4° |
NAO | CAN | CAM | CAR | 17.7° | 0.0° |
NAO | CAN | CAM | CAK | 157.9° | 180.0° |
NAO | CAN | CAU | CAZ | 26.6° | 124.2° |
NAO | CAN | CAU | CAV | 152.6° | 55.7° |
NAQ | CAR | CAM | CAN | 0.8° | 0.0° |
NAQ | CAR | CAM | CAS | 177.4° | 180.0° |
NAQ | CAR | CAM | CAK | 175.8° | 180.0° |
NAQ | CAR | CAS | H14 | 180.0° | 0.0° |
NAQ | CAR | CAS | H15 | 60.0° | 120.0° |
NAQ | CAR | CAS | H16 | 60.0° | 120.0° |
CAM | CAN | CAU | H11 | 118.4° | 116.3° |
CAN | CAM | CAR | CAK | 176.6° | 180.0° |
CAN | CAM | CAR | CAS | 178.2° | 180.0° |
CAN | CAM | CAK | OAL | 63.7° | 86.1° |
CAN | CAM | CAK | NAJ | 118.7° | 93.8° |
CAM | CAN | CAU | CAZ | 97.0° | 108.5° |
CAM | CAN | CAU | CAV | 83.9° | 71.6° |
CAM | CAN | NAO | H12 | 155.2° | 180.0° |
CAU | CAN | CAM | CAR | 106.2° | 121.9° |
CAU | CAN | CAM | CAK | 78.2° | 58.1° |
CAN | CAU | CAZ | CAV | 179.1° | 179.9° |
CAN | CAU | CAZ | CAY | 179.7° | 180.0° |
CAN | CAU | CAV | CAW | 179.5° | 179.7° |
CAN | CAU | CAZ | H8 | 0.3° | 0.0° |
CAN | CAU | CAV | H10 | 0.5° | 0.1° |
CAU | CAN | NAO | H12 | 80.4° | 58.1° |
CAR | CAM | CAK | OAL | 112.1° | 93.9° |
CAR | CAM | CAK | NAJ | 65.5° | 86.2° |
CAR | CAM | CAN | H11 | 135.4° | 121.8° |
CAM | CAR | NAQ | H13 | 165.9° | 180.0° |
CAM | CAR | CAS | H14 | 2.3° | 180.0° |
CAM | CAR | CAS | H15 | 122.3° | 60.0° |
CAM | CAR | CAS | H16 | 117.7° | 60.0° |
CAS | CAR | CAM | CAK | 1.6° | 0.0° |
CAS | CAR | NAQ | H13 | 16.3° | 0.0° |
CAR | CAS | H14 | H15 | 120.0° | 120.0° |
CAR | CAS | H14 | H16 | 120.0° | 120.0° |
CAR | CAS | H15 | H16 | 120.0° | 119.9° |
OAL | CAK | CAM | NAJ | 177.6° | 180.0° |
OAL | CAK | NAJ | CAG | 3.3° | 8.0° |
OAL | CAK | NAJ | H17 | 176.7° | 172.0° |
CAM | CAK | NAJ | CAG | 174.0° | 171.9° |
CAK | CAM | CAN | H11 | 40.2° | 58.1° |
CAM | CAK | NAJ | H17 | 5.9° | 8.1° |
CAK | NAJ | CAG | CAF | 1.4° | 146.9° |
CAK | NAJ | CAG | H17 | 180.0° | 180.0° |
CAK | NAJ | CAG | CAH | 171.4° | 33.4° |
CAU | CAZ | CAY | H8 | 180.0° | 180.0° |
CAZ | CAU | CAV | CAW | 0.4° | 0.3° |
CAU | CAZ | CAY | CBB | 180.0° | 180.0° |
CAU | CAZ | CAY | CAX | 0.6° | 0.2° |
CAZ | CAU | CAV | H10 | 179.6° | 180.0° |
CAZ | CAU | CAN | H11 | 144.6° | 7.8° |
CAV | CAU | CAZ | CAY | 0.6° | 0.1° |
CAU | CAV | CAW | H10 | 180.0° | 179.6° |
CAU | CAV | CAW | CAX | 0.1° | 0.3° |
CAV | CAU | CAZ | H8 | 179.4° | 180.0° |
CAU | CAV | CAW | H9 | 179.9° | 179.7° |
CAV | CAU | CAN | H11 | 34.5° | 172.1° |
CAZ | CAY | CBB | CAX | 179.4° | 179.7° |
CAZ | CAY | CAX | CAW | 0.3° | 0.2° |
CAZ | CAY | CBB | OBC | 122.8° | 179.7° |
CAZ | CAY | CBB | NBD | 56.5° | 0.0° |
CAZ | CAY | CAX | FBA | 179.6° | 179.8° |
CAV | CAW | CAX | CAY | 0.1° | 0.0° |
CAV | CAW | CAX | H9 | 180.0° | 180.0° |
CAV | CAW | CAX | FBA | 179.9° | 179.9° |
CAG | CAF | CAD | H18 | 180.0° | 179.9° |
CAF | CAG | NAJ | CAH | 172.8° | 179.6° |
CAG | CAF | CAD | CAC | 178.1° | 179.9° |
CAG | CAF | CAD | CAE | 2.0° | 0.2° |
CAF | CAG | CAH | CAI | 3.6° | 0.3° |
CAF | CAG | NAJ | H17 | 178.6° | 33.1° |
CAF | CAG | CAH | H19 | 176.4° | 179.7° |
CAD | CAF | CAG | NAJ | 176.0° | 180.0° |
CAF | CAD | CAC | CAE | 179.9° | 179.9° |
CAF | CAD | CAC | NAB | 179.8° | 179.8° |
CAD | CAF | CAG | CAH | 3.6° | 0.4° |
CAF | CAD | CAE | NAA | 179.6° | 179.9° |
CAF | CAD | CAE | CAI | 0.2° | 0.1° |
CAF | CAD | CAC | H22 | 0.3° | 0.0° |
NAJ | CAG | CAH | CAI | 177.0° | 179.9° |
NAJ | CAG | CAF | H18 | 4.0° | 0.1° |
NAJ | CAG | CAH | H19 | 3.0° | 0.1° |
CAD | CAC | NAB | H22 | 180.0° | 179.8° |
CAD | CAC | NAB | NAA | 0.0° | 0.4° |
CAC | CAD | CAE | NAA | 0.3° | 0.0° |
CAC | CAD | CAE | CAI | 179.9° | 179.8° |
CAC | CAD | CAF | H18 | 1.9° | 0.1° |
NAB | CAC | CAD | CAE | 0.2° | 0.3° |
CAC | NAB | NAA | CAE | 0.2° | 0.4° |
CAC | NAB | NAA | H21 | 179.8° | 179.6° |
CBB | CAY | CAX | CAW | 179.7° | 180.0° |
CAY | CBB | OBC | NBD | 179.3° | 179.7° |
CAY | CBB | NBD | CBE | 179.7° | 179.7° |
CBB | CAY | CAX | FBA | 0.2° | 0.1° |
CAY | CBB | NBD | H1 | 0.3° | 0.3° |
CBB | CAY | CAZ | H8 | 0.0° | 0.0° |
CAY | CAX | CAW | FBA | 179.9° | 180.0° |
CAX | CAY | CBB | OBC | 56.6° | 0.0° |
CAX | CAY | CBB | NBD | 124.1° | 179.7° |
CAX | CAY | CAZ | H8 | 179.4° | 179.7° |
CAY | CAX | CAW | H9 | 179.9° | 180.0° |
CAG | CAH | CAI | H19 | 180.0° | 180.0° |
CAG | CAH | CAI | CAE | 1.7° | 0.0° |
CAH | CAG | NAJ | H17 | 8.6° | 146.6° |
CAH | CAG | CAF | H18 | 176.4° | 179.8° |
CAG | CAH | CAI | H20 | 178.3° | 180.0° |
CAD | CAE | NAA | NAB | 0.3° | 0.2° |
CAD | CAE | CAI | CAH | 0.0° | 0.2° |
CAD | CAE | NAA | CAI | 179.8° | 179.8° |
CAE | CAD | CAF | H18 | 178.0° | 180.0° |
CAD | CAE | CAI | H20 | 180.0° | 179.8° |
CAD | CAE | NAA | H21 | 179.7° | 179.8° |
CAE | CAD | CAC | H22 | 179.8° | 179.9° |
CAX | CAW | CAV | H10 | 179.9° | 180.0° |
OBC | CBB | NBD | CBE | 0.4° | 0.0° |
OBC | CBB | NBD | H1 | 179.6° | 180.0° |
CBB | NBD | CBE | H1 | 180.0° | 180.0° |
CBB | NBD | CBE | CBF | 83.5° | 180.0° |
CBB | NBD | CBE | H2 | 36.8° | 60.0° |
CBB | NBD | CBE | H3 | 156.1° | 60.0° |
NBD | CBE | CBF | H2 | 120.4° | 120.0° |
NBD | CBE | CBF | H3 | 120.4° | 120.0° |
NBD | CBE | CBF | CBK | 150.1° | 95.0° |
NBD | CBE | CBF | NBG | 30.3° | 85.3° |
NBD | CBE | H2 | H3 | 118.9° | 120.0° |
FBA | CAX | CAW | H9 | 0.1° | 0.0° |
NAB | NAA | CAE | H21 | 180.0° | 180.0° |
NAB | NAA | CAE | CAI | 179.9° | 180.0° |
NAA | NAB | CAC | H22 | 180.0° | 179.8° |
CBE | CBF | CBK | NBG | 179.6° | 179.7° |
CBE | CBF | CBK | CBJ | 180.0° | 180.0° |
CBE | CBF | NBG | CBH | 179.7° | 179.7° |
CBF | CBE | NBD | H1 | 96.5° | 0.0° |
CBF | CBE | H2 | H3 | 118.9° | 120.0° |
CBE | CBF | CBK | H4 | 0.0° | 0.0° |
CAH | CAI | CAE | NAA | 179.8° | 180.0° |
CAH | CAI | CAE | H20 | 180.0° | 180.0° |
NAA | CAE | CAI | H20 | 0.2° | 0.0° |
CAE | CAI | CAH | H19 | 178.3° | 180.0° |
CAI | CAE | NAA | H21 | 0.1° | 0.0° |
CBF | CBK | CBJ | H4 | 180.0° | 179.9° |
CBK | CBF | NBG | CBH | 0.1° | 0.5° |
CBF | CBK | CBJ | CBI | 0.5° | 0.0° |
CBK | CBF | CBE | H2 | 29.7° | 25.0° |
CBK | CBF | CBE | H3 | 89.5° | 145.0° |
CBF | CBK | CBJ | H5 | 179.4° | 180.0° |
NBG | CBF | CBK | CBJ | 0.4° | 0.3° |
CBF | NBG | CBH | CBI | 0.2° | 0.5° |
NBG | CBF | CBE | H2 | 150.7° | 154.7° |
NBG | CBF | CBE | H3 | 90.1° | 34.7° |
NBG | CBF | CBK | H4 | 179.6° | 179.7° |
CBF | NBG | CBH | H7 | 179.8° | 179.7° |
CBK | CBJ | CBI | H5 | 180.0° | 180.0° |
CBK | CBJ | CBI | CBH | 0.3° | 0.0° |
CBK | CBJ | CBI | H6 | 179.8° | 180.0° |
NBG | CBH | CBI | CBJ | 0.1° | 0.2° |
NBG | CBH | CBI | H7 | 180.0° | 179.8° |
NBG | CBH | CBI | H6 | 179.9° | 179.7° |
CBJ | CBI | CBH | H6 | 180.0° | 180.0° |
CBI | CBJ | CBK | H4 | 179.5° | 180.0° |
CBJ | CBI | CBH | H7 | 179.9° | 180.0° |
CBH | CBI | CBJ | H5 | 179.7° | 179.9° |
H1 | NBD | CBE | H2 | 143.2° | 120.0° |
H1 | NBD | CBE | H3 | 23.9° | 120.0° |
H4 | CBK | CBJ | H5 | 0.5° | 0.0° |
H5 | CBJ | CBI | H6 | 0.3° | 0.0° |
H6 | CBI | CBH | H7 | 0.1° | 0.1° |
H9 | CAW | CAV | H10 | 0.1° | 0.1° |
H11 | CAN | NAO | H12 | 37.6° | 58.2° |
H14 | CAS | H15 | H16 | 120.0° | 120.0° |
H19 | CAH | CAI | H20 | 1.7° | 0.0° |