7U3
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAA | CAP | doub | 1.22Å | 1.24Å | |
NAL | CAP | sing | 1.35Å | 1.41Å | |
NAL | NAJ | sing | 1.40Å | 1.26Å | |
CAP | CAR | sing | 1.47Å | 1.40Å | |
NAJ | CAO | doub | 1.30Å | 1.34Å | |
CAR | CAE | doub | 1.39Å | 1.40Å | Aromatic |
CAR | CAQ | sing | 1.41Å | 1.39Å | Aromatic |
CAE | CAN | sing | 1.38Å | 1.38Å | Aromatic |
CAO | CAQ | sing | 1.47Å | 1.39Å | |
CAO | OAM | sing | 1.36Å | 1.38Å | |
CAQ | CAD | doub | 1.39Å | 1.41Å | Aromatic |
CAN | FAB | sing | 1.35Å | 1.28Å | |
CAN | CAC | doub | 1.39Å | 1.39Å | Aromatic |
CAI | OAM | sing | 1.43Å | 1.46Å | |
CAI | CAS | sing | 1.53Å | 1.52Å | |
CAD | CAC | sing | 1.37Å | 1.40Å | Aromatic |
CAS | CAH | sing | 1.55Å | 1.57Å | |
CAS | CAG | sing | 1.55Å | 1.54Å | |
CAH | NAK | sing | 1.48Å | 1.49Å | |
CAG | CAF | sing | 1.54Å | 1.48Å | |
NAK | CAF | sing | 1.48Å | 1.50Å | |
CAG | H1 | sing | 1.09Å | 1.10Å | |
CAG | H2 | sing | 1.09Å | 1.10Å | |
CAF | H3 | sing | 1.09Å | 1.10Å | |
CAF | H4 | sing | 1.09Å | 1.10Å | |
NAK | H5 | sing | 1.01Å | 1.00Å | |
CAH | H7 | sing | 1.09Å | 1.10Å | |
CAH | H8 | sing | 1.09Å | 1.10Å | |
CAS | H9 | sing | 1.09Å | 1.10Å | |
CAI | H10 | sing | 1.09Å | 1.10Å | |
CAI | H11 | sing | 1.09Å | 1.10Å | |
NAL | H12 | sing | 0.97Å | 1.00Å | |
CAD | H13 | sing | 1.08Å | 1.08Å | |
CAC | H14 | sing | 1.08Å | 1.08Å | |
CAE | H15 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAA | CAP | NAL | 119.7° | 120.6° |
OAA | CAP | CAR | 122.5° | 120.6° |
CAP | NAL | NAJ | 120.9° | 121.8° |
NAL | CAP | CAR | 117.8° | 118.8° |
CAP | NAL | H12 | 119.5° | 119.1° |
NAL | NAJ | CAO | 124.3° | 122.7° |
NAJ | NAL | H12 | 119.6° | 119.1° |
CAP | CAR | CAE | 121.1° | 122.0° |
CAP | CAR | CAQ | 119.3° | 118.3° |
NAJ | CAO | CAQ | 119.6° | 119.9° |
NAJ | CAO | OAM | 124.2° | 120.1° |
CAE | CAR | CAQ | 119.6° | 119.7° |
CAR | CAE | CAN | 119.8° | 119.4° |
CAR | CAE | H15 | 120.1° | 120.3° |
CAR | CAQ | CAO | 118.1° | 118.5° |
CAR | CAQ | CAD | 120.2° | 119.6° |
CAE | CAN | FAB | 116.9° | 119.7° |
CAE | CAN | CAC | 121.7° | 120.6° |
CAN | CAE | H15 | 120.1° | 120.3° |
CAQ | CAO | OAM | 116.2° | 120.0° |
CAO | CAQ | CAD | 121.7° | 121.8° |
CAO | OAM | CAI | 121.8° | 117.0° |
CAQ | CAD | CAC | 119.9° | 119.7° |
CAQ | CAD | H13 | 120.1° | 120.1° |
FAB | CAN | CAC | 121.3° | 119.7° |
CAN | CAC | CAD | 118.8° | 120.8° |
CAN | CAC | H14 | 120.6° | 119.6° |
OAM | CAI | CAS | 109.5° | 109.5° |
OAM | CAI | H10 | 109.5° | 109.5° |
OAM | CAI | H11 | 109.4° | 109.5° |
CAI | CAS | CAH | 116.4° | 110.7° |
CAI | CAS | CAG | 112.2° | 110.7° |
CAI | CAS | H9 | 109.0° | 110.8° |
CAS | CAI | H10 | 109.5° | 109.4° |
CAS | CAI | H11 | 109.5° | 109.5° |
CAC | CAD | H13 | 120.0° | 120.1° |
CAD | CAC | H14 | 120.6° | 119.6° |
CAH | CAS | CAG | 101.7° | 102.9° |
CAS | CAH | NAK | 104.3° | 103.2° |
CAS | CAH | H7 | 110.7° | 110.7° |
CAS | CAH | H8 | 110.7° | 110.8° |
CAH | CAS | H9 | 108.4° | 110.7° |
CAS | CAG | CAF | 103.2° | 105.1° |
CAS | CAG | H1 | 111.0° | 110.3° |
CAS | CAG | H2 | 111.0° | 110.4° |
CAG | CAS | H9 | 108.7° | 110.7° |
CAH | NAK | CAF | 108.6° | 105.8° |
CAH | NAK | H5 | 109.7° | 111.0° |
NAK | CAH | H7 | 110.7° | 110.7° |
NAK | CAH | H8 | 110.7° | 110.7° |
CAG | CAF | NAK | 101.4° | 107.0° |
CAF | CAG | H1 | 111.0° | 110.4° |
CAF | CAG | H2 | 111.0° | 110.3° |
CAG | CAF | H3 | 111.5° | 109.9° |
CAG | CAF | H4 | 111.5° | 109.8° |
NAK | CAF | H3 | 111.5° | 109.9° |
NAK | CAF | H4 | 111.4° | 110.1° |
CAF | NAK | H5 | 109.7° | 111.0° |
H1 | CAG | H2 | 109.4° | 110.3° |
H3 | CAF | H4 | 109.5° | 109.9° |
H7 | CAH | H8 | 109.5° | 110.6° |
H10 | CAI | H11 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAA | CAP | NAL | CAR | 179.4° | 180.0° |
OAA | CAP | NAL | NAJ | 179.9° | 180.0° |
OAA | CAP | CAR | CAE | 0.3° | 0.0° |
OAA | CAP | CAR | CAQ | 177.5° | 180.0° |
OAA | CAP | NAL | H12 | 0.1° | 0.0° |
CAP | NAL | NAJ | H12 | 180.0° | 179.9° |
CAP | NAL | NAJ | CAO | 3.4° | 0.0° |
NAL | CAP | CAR | CAE | 179.6° | 180.0° |
NAL | CAP | CAR | CAQ | 1.9° | 0.1° |
NAJ | NAL | CAP | CAR | 0.7° | 0.0° |
NAL | NAJ | CAO | CAQ | 3.2° | 0.0° |
NAL | NAJ | CAO | OAM | 178.7° | 179.7° |
CAP | CAR | CAE | CAQ | 177.7° | 179.9° |
CAP | CAR | CAE | CAN | 178.7° | 179.9° |
CAP | CAR | CAQ | CAO | 2.1° | 0.1° |
CAP | CAR | CAQ | CAD | 179.0° | 179.7° |
CAR | CAP | NAL | H12 | 179.2° | 179.9° |
CAP | CAR | CAE | H15 | 1.3° | 0.1° |
NAJ | CAO | CAQ | CAR | 0.3° | 0.1° |
NAJ | CAO | CAQ | OAM | 178.2° | 179.7° |
NAJ | CAO | CAQ | CAD | 178.6° | 179.8° |
NAJ | CAO | OAM | CAI | 0.4° | 0.3° |
CAO | NAJ | NAL | H12 | 176.6° | 180.0° |
CAR | CAE | CAN | H15 | 180.0° | 180.0° |
CAE | CAR | CAQ | CAO | 179.8° | 180.0° |
CAE | CAR | CAQ | CAD | 1.3° | 0.2° |
CAR | CAE | CAN | FAB | 177.0° | 180.0° |
CAR | CAE | CAN | CAC | 0.2° | 0.2° |
CAQ | CAR | CAE | CAN | 1.0° | 0.0° |
CAR | CAQ | CAO | CAD | 178.9° | 179.8° |
CAR | CAQ | CAO | OAM | 178.5° | 179.8° |
CAR | CAQ | CAD | CAC | 0.7° | 0.2° |
CAR | CAQ | CAD | H13 | 179.3° | 179.8° |
CAQ | CAR | CAE | H15 | 179.0° | 180.0° |
CAE | CAN | FAB | CAC | 177.2° | 179.8° |
CAE | CAN | CAC | CAD | 0.4° | 0.2° |
CAE | CAN | CAC | H14 | 179.6° | 179.8° |
CAQ | CAO | OAM | CAI | 178.5° | 180.0° |
CAO | CAQ | CAD | CAC | 179.6° | 180.0° |
CAO | CAQ | CAD | H13 | 0.4° | 0.0° |
OAM | CAO | CAQ | CAD | 0.4° | 0.0° |
CAO | OAM | CAI | CAS | 179.3° | 180.0° |
CAO | OAM | CAI | H10 | 60.7° | 60.0° |
CAO | OAM | CAI | H11 | 59.3° | 60.0° |
CAQ | CAD | CAC | CAN | 0.2° | 0.0° |
CAQ | CAD | CAC | H13 | 180.0° | 180.0° |
CAQ | CAD | CAC | H14 | 179.9° | 180.0° |
FAB | CAN | CAC | CAD | 177.5° | 180.0° |
FAB | CAN | CAC | H14 | 2.5° | 0.0° |
FAB | CAN | CAE | H15 | 3.0° | 0.0° |
CAN | CAC | CAD | H14 | 180.0° | 180.0° |
CAN | CAC | CAD | H13 | 179.9° | 180.0° |
CAC | CAN | CAE | H15 | 179.8° | 179.8° |
OAM | CAI | CAS | H10 | 120.0° | 120.0° |
OAM | CAI | CAS | H11 | 120.0° | 120.0° |
OAM | CAI | CAS | CAH | 37.8° | 66.5° |
OAM | CAI | CAS | CAG | 78.8° | 180.0° |
OAM | CAI | CAS | H9 | 160.8° | 56.8° |
OAM | CAI | H10 | H11 | 120.0° | 120.0° |
CAI | CAS | CAH | CAG | 122.3° | 118.4° |
CAI | CAS | CAH | H9 | 123.3° | 123.3° |
CAI | CAS | CAG | H9 | 120.6° | 123.3° |
CAI | CAS | CAH | NAK | 102.9° | 155.8° |
CAI | CAS | CAG | CAF | 84.7° | 140.3° |
CAI | CAS | CAG | H1 | 34.3° | 100.8° |
CAI | CAS | CAG | H2 | 156.3° | 21.4° |
CAI | CAS | CAH | H7 | 137.9° | 37.3° |
CAI | CAS | CAH | H8 | 16.2° | 85.7° |
CAS | CAI | H10 | H11 | 120.0° | 120.0° |
CAH | CAS | CAG | H9 | 114.2° | 118.4° |
CAS | CAH | NAK | H7 | 119.2° | 118.5° |
CAS | CAH | NAK | H8 | 119.2° | 118.6° |
CAH | CAS | CAG | CAF | 40.4° | 21.9° |
CAS | CAH | NAK | CAF | 8.0° | 39.2° |
CAH | CAS | CAG | H1 | 159.4° | 140.9° |
CAH | CAS | CAG | H2 | 78.6° | 97.0° |
CAS | CAH | NAK | H5 | 111.8° | 81.3° |
CAS | CAH | H7 | H8 | 122.4° | 123.1° |
CAH | CAS | CAI | H10 | 157.8° | 173.6° |
CAH | CAS | CAI | H11 | 82.2° | 53.6° |
CAG | CAS | CAH | NAK | 19.3° | 37.4° |
CAS | CAG | CAF | H1 | 119.0° | 118.9° |
CAS | CAG | CAF | H2 | 119.0° | 119.0° |
CAS | CAG | CAF | NAK | 45.3° | 1.2° |
CAS | CAG | H1 | H2 | 122.9° | 122.2° |
CAS | CAG | CAF | H3 | 73.4° | 118.1° |
CAS | CAG | CAF | H4 | 164.0° | 120.8° |
CAG | CAS | CAH | H7 | 99.8° | 81.1° |
CAG | CAS | CAH | H8 | 138.5° | 155.9° |
CAG | CAS | CAI | H10 | 41.2° | 60.1° |
CAG | CAS | CAI | H11 | 161.2° | 59.9° |
CAH | NAK | CAF | CAG | 33.4° | 25.3° |
CAH | NAK | CAF | H5 | 119.9° | 120.5° |
CAH | NAK | CAF | H3 | 85.3° | 94.0° |
CAH | NAK | CAF | H4 | 152.1° | 144.7° |
NAK | CAH | H7 | H8 | 122.4° | 123.0° |
NAK | CAH | CAS | H9 | 133.8° | 81.0° |
CAG | CAF | NAK | H3 | 118.7° | 119.3° |
CAG | CAF | NAK | H4 | 118.7° | 119.4° |
CAF | CAG | H1 | H2 | 122.9° | 122.1° |
CAG | CAF | H3 | H4 | 123.8° | 121.0° |
CAG | CAF | NAK | H5 | 86.4° | 95.1° |
CAF | CAG | CAS | H9 | 154.6° | 96.4° |
NAK | CAF | CAG | H1 | 164.4° | 117.7° |
NAK | CAF | CAG | H2 | 73.6° | 120.2° |
NAK | CAF | H3 | H4 | 123.7° | 121.4° |
CAF | NAK | CAH | H7 | 127.2° | 79.3° |
CAF | NAK | CAH | H8 | 111.1° | 157.8° |
H1 | CAG | CAF | H3 | 45.7° | 122.9° |
H1 | CAG | CAF | H4 | 77.0° | 1.9° |
H1 | CAG | CAS | H9 | 86.4° | 22.5° |
H2 | CAG | CAF | H3 | 167.7° | 0.9° |
H2 | CAG | CAF | H4 | 45.0° | 120.2° |
H2 | CAG | CAS | H9 | 35.6° | 144.6° |
H3 | CAF | NAK | H5 | 154.8° | 145.5° |
H4 | CAF | NAK | H5 | 32.2° | 24.3° |
H5 | NAK | CAH | H7 | 7.3° | 160.3° |
H5 | NAK | CAH | H8 | 129.0° | 37.3° |
H7 | CAH | CAS | H9 | 14.6° | 160.5° |
H8 | CAH | CAS | H9 | 107.1° | 37.5° |
H9 | CAS | CAI | H10 | 79.2° | 63.2° |
H9 | CAS | CAI | H11 | 40.8° | 176.8° |
H13 | CAD | CAC | H14 | 0.1° | 0.0° |