7U9
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAC | CAM | doub | 1.22Å | 1.25Å | |
NAA | CAM | sing | 1.35Å | 1.34Å | |
CAM | CAO | sing | 1.47Å | 1.44Å | |
CAO | CAF | sing | 1.39Å | 1.39Å | Aromatic |
CAO | CAR | doub | 1.41Å | 1.38Å | Aromatic |
CAF | CAE | doub | 1.38Å | 1.41Å | Aromatic |
CAH | CAI | sing | 1.55Å | 1.54Å | |
CAH | CAS | sing | 1.55Å | 1.49Å | |
CAI | NAT | sing | 1.48Å | 1.59Å | |
CAR | NAK | sing | 1.34Å | 1.35Å | Aromatic |
CAR | CAQ | sing | 1.41Å | 1.36Å | Aromatic |
NAK | CAP | doub | 1.31Å | 1.31Å | Aromatic |
CAE | CAG | sing | 1.38Å | 1.40Å | Aromatic |
CAS | NAB | sing | 1.47Å | 1.49Å | |
CAS | CAJ | sing | 1.54Å | 1.53Å | |
NAT | CAN | sing | 1.35Å | 1.39Å | |
NAT | CAJ | sing | 1.47Å | 1.54Å | |
CAQ | CAG | doub | 1.39Å | 1.31Å | Aromatic |
CAQ | NAL | sing | 1.38Å | 1.37Å | Aromatic |
CAP | CAN | sing | 1.48Å | 1.37Å | |
CAP | NAL | sing | 1.37Å | 1.36Å | Aromatic |
CAN | OAD | doub | 1.21Å | 1.23Å | |
CAJ | H1 | sing | 1.09Å | 1.10Å | |
CAJ | H2 | sing | 1.09Å | 1.10Å | |
CAS | H3 | sing | 1.09Å | 1.10Å | |
NAB | H4 | sing | 1.01Å | 1.00Å | |
NAB | H5 | sing | 1.01Å | 1.00Å | |
CAH | H7 | sing | 1.09Å | 1.10Å | |
CAH | H8 | sing | 1.09Å | 1.10Å | |
CAI | H9 | sing | 1.09Å | 1.10Å | |
CAI | H10 | sing | 1.09Å | 1.10Å | |
NAL | H11 | sing | 0.97Å | 1.00Å | |
CAG | H13 | sing | 1.08Å | 1.08Å | |
CAE | H14 | sing | 1.08Å | 1.08Å | |
CAF | H15 | sing | 1.08Å | 1.08Å | |
NAA | H16 | sing | 0.97Å | 1.00Å | |
NAA | H17 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAC | CAM | NAA | 115.5° | 120.0° |
OAC | CAM | CAO | 122.4° | 120.0° |
NAA | CAM | CAO | 121.7° | 120.0° |
CAM | NAA | H16 | 120.0° | 120.0° |
CAM | NAA | H17 | 120.0° | 120.0° |
CAM | CAO | CAF | 118.8° | 120.3° |
CAM | CAO | CAR | 125.2° | 120.3° |
CAF | CAO | CAR | 116.0° | 119.5° |
CAO | CAF | CAE | 122.5° | 120.4° |
CAO | CAF | H15 | 118.8° | 119.8° |
CAO | CAR | NAK | 131.3° | 133.4° |
CAO | CAR | CAQ | 122.7° | 119.2° |
CAF | CAE | CAG | 115.6° | 120.7° |
CAF | CAE | H14 | 122.2° | 119.6° |
CAE | CAF | H15 | 118.8° | 119.8° |
CAI | CAH | CAS | 92.7° | 101.6° |
CAH | CAI | NAT | 99.7° | 104.8° |
CAI | CAH | H7 | 113.5° | 111.0° |
CAI | CAH | H8 | 113.5° | 111.0° |
CAH | CAI | H9 | 111.9° | 110.4° |
CAH | CAI | H10 | 111.8° | 110.4° |
CAH | CAS | NAB | 116.2° | 110.7° |
CAH | CAS | CAJ | 100.8° | 102.9° |
CAH | CAS | H3 | 108.1° | 110.8° |
CAS | CAH | H7 | 113.5° | 111.1° |
CAS | CAH | H8 | 113.5° | 111.0° |
CAI | NAT | CAN | 139.1° | 125.6° |
CAI | NAT | CAJ | 103.9° | 108.5° |
NAT | CAI | H9 | 111.8° | 110.3° |
NAT | CAI | H10 | 111.9° | 110.5° |
NAK | CAR | CAQ | 106.0° | 107.4° |
CAR | NAK | CAP | 110.2° | 109.7° |
CAR | CAQ | CAG | 120.7° | 120.0° |
CAR | CAQ | NAL | 109.0° | 106.1° |
NAK | CAP | CAN | 123.3° | 125.2° |
NAK | CAP | NAL | 108.9° | 109.7° |
CAE | CAG | CAQ | 122.1° | 120.1° |
CAE | CAG | H13 | 119.0° | 119.9° |
CAG | CAE | H14 | 122.2° | 119.6° |
NAB | CAS | CAJ | 115.5° | 110.7° |
NAB | CAS | H3 | 108.1° | 110.6° |
CAS | NAB | H4 | 109.5° | 111.0° |
CAS | NAB | H5 | 109.5° | 111.0° |
CAS | CAJ | NAT | 99.9° | 107.4° |
CAS | CAJ | H1 | 111.8° | 109.9° |
CAS | CAJ | H2 | 111.8° | 109.8° |
CAJ | CAS | H3 | 107.6° | 110.7° |
CAN | NAT | CAJ | 116.8° | 125.8° |
NAT | CAN | CAP | 125.7° | 120.0° |
NAT | CAN | OAD | 118.9° | 120.0° |
NAT | CAJ | H1 | 111.8° | 109.9° |
NAT | CAJ | H2 | 111.8° | 109.9° |
CAG | CAQ | NAL | 130.2° | 133.9° |
CAQ | CAG | H13 | 119.0° | 119.9° |
CAQ | NAL | CAP | 105.8° | 107.0° |
CAQ | NAL | H11 | 127.1° | 126.5° |
CAN | CAP | NAL | 126.9° | 125.1° |
CAP | CAN | OAD | 113.6° | 120.0° |
CAP | NAL | H11 | 127.1° | 126.5° |
H1 | CAJ | H2 | 109.5° | 109.9° |
H4 | NAB | H5 | 109.5° | 111.0° |
H7 | CAH | H8 | 109.5° | 110.9° |
H9 | CAI | H10 | 109.5° | 110.4° |
H16 | NAA | H17 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAC | CAM | NAA | CAO | 172.5° | 179.9° |
OAC | CAM | CAO | CAF | 15.1° | 180.0° |
OAC | CAM | CAO | CAR | 164.9° | 0.3° |
OAC | CAM | NAA | H16 | 0.0° | 180.0° |
OAC | CAM | NAA | H17 | 180.0° | 0.0° |
NAA | CAM | CAO | CAF | 173.0° | 0.0° |
NAA | CAM | CAO | CAR | 7.0° | 179.7° |
CAM | NAA | H16 | H17 | 180.0° | 180.0° |
CAM | CAO | CAF | CAR | 180.0° | 179.7° |
CAM | CAO | CAF | CAE | 179.5° | 180.0° |
CAM | CAO | CAR | NAK | 0.8° | 0.1° |
CAM | CAO | CAR | CAQ | 179.5° | 180.0° |
CAM | CAO | CAF | H15 | 0.5° | 0.1° |
CAO | CAM | NAA | H16 | 172.4° | 0.1° |
CAO | CAM | NAA | H17 | 7.6° | 179.9° |
CAO | CAF | CAE | H15 | 180.0° | 179.8° |
CAF | CAO | CAR | NAK | 179.2° | 179.8° |
CAF | CAO | CAR | CAQ | 0.5° | 0.3° |
CAO | CAF | CAE | CAG | 4.5° | 0.2° |
CAO | CAF | CAE | H14 | 175.4° | 179.8° |
CAR | CAO | CAF | CAE | 0.4° | 0.4° |
CAO | CAR | NAK | CAQ | 179.7° | 179.9° |
CAO | CAR | NAK | CAP | 176.6° | 180.0° |
CAO | CAR | CAQ | CAG | 3.1° | 0.1° |
CAO | CAR | CAQ | NAL | 179.1° | 179.9° |
CAR | CAO | CAF | H15 | 179.6° | 179.8° |
CAF | CAE | CAG | H14 | 180.0° | 180.0° |
CAF | CAE | CAG | CAQ | 8.3° | 0.1° |
CAF | CAE | CAG | H13 | 171.7° | 180.0° |
CAI | CAH | CAS | H7 | 117.1° | 118.1° |
CAI | CAH | CAS | H8 | 117.1° | 118.1° |
CAH | CAI | NAT | H9 | 118.4° | 118.8° |
CAH | CAI | NAT | H10 | 118.4° | 118.9° |
CAI | CAH | CAS | NAB | 170.3° | 153.9° |
CAI | CAH | CAS | CAJ | 64.0° | 35.5° |
CAH | CAI | NAT | CAN | 147.0° | 155.9° |
CAH | CAI | NAT | CAJ | 28.1° | 24.3° |
CAI | CAH | CAS | H3 | 48.7° | 82.9° |
CAI | CAH | H7 | H8 | 127.9° | 123.9° |
CAH | CAI | H9 | H10 | 124.5° | 122.3° |
CAS | CAH | CAI | NAT | 54.9° | 37.1° |
CAH | CAS | NAB | CAJ | 117.8° | 113.5° |
CAH | CAS | NAB | H3 | 121.6° | 123.3° |
CAH | CAS | CAJ | H3 | 113.0° | 118.5° |
CAH | CAS | CAJ | NAT | 46.8° | 22.1° |
CAH | CAS | CAJ | H1 | 165.2° | 141.6° |
CAH | CAS | CAJ | H2 | 71.7° | 97.4° |
CAH | CAS | NAB | H4 | 180.0° | 175.0° |
CAH | CAS | NAB | H5 | 60.0° | 61.0° |
CAS | CAH | H7 | H8 | 127.9° | 123.9° |
CAS | CAH | CAI | H9 | 173.3° | 155.8° |
CAS | CAH | CAI | H10 | 63.5° | 81.8° |
CAI | NAT | CAJ | CAS | 10.0° | 1.2° |
CAI | NAT | CAN | CAJ | 174.7° | 179.8° |
CAI | NAT | CAN | CAP | 19.6° | 0.0° |
CAI | NAT | CAN | OAD | 176.9° | 179.9° |
CAI | NAT | CAJ | H1 | 128.4° | 118.3° |
CAI | NAT | CAJ | H2 | 108.5° | 120.7° |
NAT | CAI | CAH | H7 | 172.0° | 81.1° |
NAT | CAI | CAH | H8 | 62.2° | 155.1° |
NAT | CAI | H9 | H10 | 124.5° | 122.3° |
NAK | CAR | CAQ | CAG | 177.1° | 180.0° |
NAK | CAR | CAQ | NAL | 1.1° | 0.1° |
CAR | NAK | CAP | CAN | 174.9° | 179.9° |
CAR | NAK | CAP | NAL | 4.9° | 0.3° |
CAQ | CAR | NAK | CAP | 3.7° | 0.1° |
CAR | CAQ | CAG | CAE | 7.7° | 0.1° |
CAR | CAQ | CAG | NAL | 175.0° | 179.9° |
CAR | CAQ | NAL | CAP | 1.7° | 0.2° |
CAR | CAQ | NAL | H11 | 178.3° | 179.9° |
CAR | CAQ | CAG | H13 | 172.3° | 180.0° |
NAK | CAP | CAN | NAT | 7.3° | 0.3° |
NAK | CAP | NAL | CAQ | 4.0° | 0.3° |
NAK | CAP | CAN | NAL | 168.2° | 179.6° |
NAK | CAP | CAN | OAD | 156.9° | 179.7° |
NAK | CAP | NAL | H11 | 176.0° | 179.8° |
CAE | CAG | CAQ | H13 | 180.0° | 179.9° |
CAE | CAG | CAQ | NAL | 177.2° | 180.0° |
CAG | CAE | CAF | H15 | 175.4° | 180.0° |
NAB | CAS | CAJ | H3 | 120.8° | 123.1° |
NAB | CAS | CAJ | NAT | 172.9° | 140.5° |
NAB | CAS | CAJ | H1 | 68.7° | 100.0° |
NAB | CAS | CAJ | H2 | 54.4° | 21.0° |
CAS | NAB | H4 | H5 | 120.0° | 124.0° |
NAB | CAS | CAH | H7 | 53.2° | 35.8° |
NAB | CAS | CAH | H8 | 72.6° | 88.1° |
CAS | CAJ | NAT | CAN | 173.6° | 179.0° |
CAS | CAJ | NAT | H1 | 118.4° | 119.5° |
CAS | CAJ | NAT | H2 | 118.4° | 119.5° |
CAS | CAJ | H1 | H2 | 124.5° | 121.0° |
CAJ | CAS | NAB | H4 | 62.2° | 61.4° |
CAJ | CAS | NAB | H5 | 177.8° | 174.6° |
CAJ | CAS | CAH | H7 | 178.9° | 82.6° |
CAJ | CAS | CAH | H8 | 53.1° | 153.5° |
NAT | CAN | CAP | OAD | 164.3° | 179.9° |
NAT | CAN | CAP | NAL | 175.6° | 180.0° |
CAN | NAT | CAJ | H1 | 55.2° | 61.5° |
CAN | NAT | CAJ | H2 | 68.0° | 59.5° |
CAN | NAT | CAI | H9 | 28.6° | 37.2° |
CAN | NAT | CAI | H10 | 94.6° | 85.2° |
CAJ | NAT | CAN | CAP | 165.7° | 179.8° |
CAJ | NAT | CAN | OAD | 2.2° | 0.1° |
NAT | CAJ | H1 | H2 | 124.5° | 121.0° |
NAT | CAJ | CAS | H3 | 66.2° | 96.4° |
CAJ | NAT | CAI | H9 | 146.5° | 143.1° |
CAJ | NAT | CAI | H10 | 90.3° | 94.6° |
CAG | CAQ | NAL | CAP | 173.8° | 179.9° |
CAG | CAQ | NAL | H11 | 6.2° | 0.1° |
CAQ | CAG | CAE | H14 | 171.7° | 180.0° |
CAQ | NAL | CAP | CAN | 173.6° | 180.0° |
CAQ | NAL | CAP | H11 | 180.0° | 179.9° |
NAL | CAQ | CAG | H13 | 2.8° | 0.1° |
CAN | CAP | NAL | H11 | 6.4° | 0.1° |
NAL | CAP | CAN | OAD | 11.3° | 0.1° |
H1 | CAJ | CAS | H3 | 52.1° | 23.1° |
H2 | CAJ | CAS | H3 | 175.3° | 144.1° |
H3 | CAS | NAB | H4 | 58.4° | 61.7° |
H3 | CAS | NAB | H5 | 61.6° | 62.3° |
H3 | CAS | CAH | H7 | 68.4° | 159.0° |
H3 | CAS | CAH | H8 | 165.8° | 35.1° |
H7 | CAH | CAI | H9 | 69.6° | 37.6° |
H7 | CAH | CAI | H10 | 53.6° | 160.0° |
H8 | CAH | CAI | H9 | 56.2° | 86.2° |
H8 | CAH | CAI | H10 | 179.4° | 36.2° |
H13 | CAG | CAE | H14 | 8.3° | 0.1° |
H14 | CAE | CAF | H15 | 4.6° | 0.0° |