5QK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAF | CAE | doub | 1.21Å | 1.24Å | |
| CAE | CAG | sing | 1.51Å | 1.54Å | |
| CAE | NAD | sing | 1.35Å | 1.38Å | |
| CAG | OAH | sing | 1.43Å | 1.44Å | |
| CAB | CAC | sing | 1.53Å | 1.56Å | |
| CAB | CAS | sing | 1.53Å | 1.57Å | |
| CAB | OAA | sing | 1.43Å | 1.42Å | |
| CAC | NAD | sing | 1.47Å | 1.49Å | |
| CAU | CAV | sing | 1.53Å | 1.52Å | |
| CAU | NAT | sing | 1.47Å | 1.48Å | |
| CAS | NAT | sing | 1.47Å | 1.49Å | |
| CAV | CAW | sing | 1.51Å | 1.40Å | |
| NAT | CAY | sing | 1.47Å | 1.47Å | |
| CAR | CAQ | doub | 1.39Å | 1.39Å | Aromatic |
| CAR | CAI | sing | 1.37Å | 1.40Å | Aromatic |
| OAH | CAI | sing | 1.36Å | 1.35Å | |
| CAQ | CAP | sing | 1.36Å | 1.40Å | Aromatic |
| CAI | CAJ | doub | 1.41Å | 1.40Å | Aromatic |
| CAW | CBC | doub | 1.39Å | 1.40Å | Aromatic |
| CAW | CAX | sing | 1.38Å | 1.42Å | Aromatic |
| CAY | CAX | sing | 1.51Å | 1.40Å | |
| CBC | CBB | sing | 1.38Å | 1.39Å | Aromatic |
| CAX | CAZ | doub | 1.39Å | 1.40Å | Aromatic |
| CAP | CAO | doub | 1.40Å | 1.40Å | Aromatic |
| CAJ | CAO | sing | 1.42Å | 1.41Å | Aromatic |
| CAJ | NAK | sing | 1.34Å | 1.35Å | Aromatic |
| CAO | CAN | sing | 1.41Å | 1.40Å | Aromatic |
| NAK | CAL | doub | 1.31Å | 1.42Å | Aromatic |
| CBB | CBA | doub | 1.38Å | 1.40Å | Aromatic |
| CAZ | CBA | sing | 1.38Å | 1.39Å | Aromatic |
| CAN | CAM | doub | 1.37Å | 1.40Å | Aromatic |
| CAL | CAM | sing | 1.39Å | 1.40Å | Aromatic |
| CAU | H1 | sing | 1.09Å | 1.10Å | |
| CAU | H2 | sing | 1.09Å | 1.10Å | |
| CAV | H3 | sing | 1.09Å | 1.10Å | |
| CAV | H4 | sing | 1.09Å | 1.10Å | |
| CBC | H5 | sing | 1.08Å | 1.08Å | |
| CBB | H6 | sing | 1.08Å | 1.08Å | |
| CBA | H7 | sing | 1.08Å | 1.08Å | |
| CAZ | H8 | sing | 1.08Å | 1.08Å | |
| CAY | H9 | sing | 1.09Å | 1.10Å | |
| CAY | H10 | sing | 1.09Å | 1.10Å | |
| CAS | H12 | sing | 1.09Å | 1.10Å | |
| CAS | H13 | sing | 1.09Å | 1.10Å | |
| CAB | H14 | sing | 1.09Å | 1.10Å | |
| OAA | H15 | sing | 0.97Å | 0.95Å | |
| CAC | H16 | sing | 1.09Å | 1.10Å | |
| CAC | H17 | sing | 1.09Å | 1.10Å | |
| NAD | H18 | sing | 0.97Å | 1.00Å | |
| CAG | H19 | sing | 1.09Å | 1.10Å | |
| CAG | H20 | sing | 1.09Å | 1.10Å | |
| CAL | H21 | sing | 1.08Å | 1.08Å | |
| CAM | H22 | sing | 1.08Å | 1.08Å | |
| CAN | H23 | sing | 1.08Å | 1.08Å | |
| CAP | H24 | sing | 1.08Å | 1.08Å | |
| CAQ | H25 | sing | 1.08Å | 1.08Å | |
| CAR | H26 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAF | CAE | CAG | 118.1° | 120.0° |
| OAF | CAE | NAD | 125.8° | 120.0° |
| CAG | CAE | NAD | 116.1° | 120.0° |
| CAE | CAG | OAH | 111.0° | 109.4° |
| CAE | CAG | H19 | 109.1° | 109.4° |
| CAE | CAG | H20 | 109.1° | 109.5° |
| CAE | NAD | CAC | 124.2° | 120.0° |
| CAE | NAD | H18 | 117.9° | 120.0° |
| CAG | OAH | CAI | 110.0° | 117.0° |
| OAH | CAG | H19 | 109.1° | 109.5° |
| OAH | CAG | H20 | 109.1° | 109.5° |
| CAC | CAB | CAS | 113.7° | 109.5° |
| CAC | CAB | OAA | 110.6° | 109.5° |
| CAB | CAC | NAD | 111.5° | 109.4° |
| CAC | CAB | H14 | 107.5° | 109.5° |
| CAB | CAC | H16 | 109.0° | 109.5° |
| CAB | CAC | H17 | 109.0° | 109.5° |
| CAS | CAB | OAA | 108.4° | 109.5° |
| CAB | CAS | NAT | 114.8° | 109.5° |
| CAB | CAS | H12 | 108.1° | 109.5° |
| CAB | CAS | H13 | 108.1° | 109.5° |
| CAS | CAB | H14 | 107.4° | 109.5° |
| OAA | CAB | H14 | 109.2° | 109.4° |
| CAB | OAA | H15 | 109.5° | 114.0° |
| NAD | CAC | H16 | 109.0° | 109.5° |
| NAD | CAC | H17 | 109.0° | 109.5° |
| CAC | NAD | H18 | 117.9° | 120.0° |
| CAV | CAU | NAT | 112.6° | 108.5° |
| CAU | CAV | CAW | 110.2° | 110.0° |
| CAV | CAU | H1 | 108.7° | 109.6° |
| CAV | CAU | H2 | 108.7° | 109.6° |
| CAU | CAV | H3 | 109.3° | 109.4° |
| CAU | CAV | H4 | 109.3° | 109.4° |
| CAU | NAT | CAS | 108.9° | 111.0° |
| CAU | NAT | CAY | 110.6° | 110.2° |
| NAT | CAU | H1 | 108.7° | 109.6° |
| NAT | CAU | H2 | 108.7° | 109.7° |
| CAS | NAT | CAY | 108.8° | 111.0° |
| NAT | CAS | H12 | 108.1° | 109.5° |
| NAT | CAS | H13 | 108.1° | 109.4° |
| CAV | CAW | CBC | 118.4° | 118.5° |
| CAV | CAW | CAX | 122.0° | 121.7° |
| CAW | CAV | H3 | 109.3° | 109.4° |
| CAW | CAV | H4 | 109.3° | 109.3° |
| NAT | CAY | CAX | 115.7° | 110.5° |
| NAT | CAY | H9 | 107.9° | 109.3° |
| NAT | CAY | H10 | 107.9° | 109.1° |
| CAQ | CAR | CAI | 118.7° | 121.0° |
| CAR | CAQ | CAP | 120.0° | 120.9° |
| CAR | CAQ | H25 | 120.0° | 119.5° |
| CAQ | CAR | H26 | 120.6° | 119.5° |
| CAR | CAI | OAH | 121.5° | 120.2° |
| CAR | CAI | CAJ | 122.0° | 119.6° |
| CAI | CAR | H26 | 120.7° | 119.5° |
| OAH | CAI | CAJ | 116.5° | 120.2° |
| CAQ | CAP | CAO | 121.3° | 119.7° |
| CAQ | CAP | H24 | 119.4° | 120.1° |
| CAP | CAQ | H25 | 120.0° | 119.6° |
| CAI | CAJ | CAO | 118.9° | 119.1° |
| CAI | CAJ | NAK | 121.4° | 121.1° |
| CBC | CAW | CAX | 119.5° | 119.8° |
| CAW | CBC | CBB | 119.8° | 120.4° |
| CAW | CBC | H5 | 120.1° | 119.8° |
| CAW | CAX | CAY | 122.7° | 121.8° |
| CAW | CAX | CAZ | 120.0° | 119.8° |
| CAY | CAX | CAZ | 117.2° | 118.4° |
| CAX | CAY | H9 | 107.9° | 109.3° |
| CAX | CAY | H10 | 107.9° | 109.3° |
| CBC | CBB | CBA | 120.4° | 119.8° |
| CBB | CBC | H5 | 120.1° | 119.8° |
| CBC | CBB | H6 | 119.8° | 120.1° |
| CAX | CAZ | CBA | 119.5° | 120.4° |
| CAX | CAZ | H8 | 120.3° | 119.8° |
| CAP | CAO | CAJ | 119.0° | 119.6° |
| CAP | CAO | CAN | 120.3° | 121.4° |
| CAO | CAP | H24 | 119.3° | 120.1° |
| CAO | CAJ | NAK | 119.8° | 119.9° |
| CAJ | CAO | CAN | 120.6° | 119.0° |
| CAJ | NAK | CAL | 120.6° | 121.3° |
| CAO | CAN | CAM | 119.9° | 118.2° |
| CAO | CAN | H23 | 120.0° | 120.9° |
| NAK | CAL | CAM | 120.2° | 121.7° |
| NAK | CAL | H21 | 119.9° | 119.2° |
| CBB | CBA | CAZ | 120.7° | 119.8° |
| CBA | CBB | H6 | 119.8° | 120.1° |
| CBB | CBA | H7 | 119.6° | 120.1° |
| CAZ | CBA | H7 | 119.7° | 120.1° |
| CBA | CAZ | H8 | 120.2° | 119.8° |
| CAN | CAM | CAL | 119.0° | 119.9° |
| CAN | CAM | H22 | 120.5° | 120.1° |
| CAM | CAN | H23 | 120.1° | 120.9° |
| CAM | CAL | H21 | 119.9° | 119.1° |
| CAL | CAM | H22 | 120.5° | 120.0° |
| H1 | CAU | H2 | 109.5° | 109.8° |
| H3 | CAV | H4 | 109.5° | 109.3° |
| H9 | CAY | H10 | 109.4° | 109.3° |
| H12 | CAS | H13 | 109.5° | 109.5° |
| H16 | CAC | H17 | 109.5° | 109.5° |
| H19 | CAG | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAF | CAE | CAG | NAD | 179.6° | 179.9° |
| OAF | CAE | CAG | OAH | 153.3° | 0.0° |
| OAF | CAE | NAD | CAC | 2.4° | 0.1° |
| OAF | CAE | NAD | H18 | 177.5° | 180.0° |
| OAF | CAE | CAG | H19 | 33.0° | 120.0° |
| OAF | CAE | CAG | H20 | 86.5° | 120.0° |
| CAE | CAG | OAH | H19 | 120.2° | 119.9° |
| CAE | CAG | OAH | H20 | 120.2° | 120.0° |
| CAG | CAE | NAD | CAC | 178.1° | 180.0° |
| CAE | CAG | OAH | CAI | 164.7° | 180.0° |
| CAG | CAE | NAD | H18 | 2.0° | 0.1° |
| CAE | CAG | H19 | H20 | 119.3° | 120.0° |
| NAD | CAE | CAG | OAH | 26.3° | 179.9° |
| CAE | NAD | CAC | CAB | 80.7° | 180.0° |
| CAE | NAD | CAC | H18 | 180.0° | 179.9° |
| CAE | NAD | CAC | H16 | 159.0° | 59.9° |
| CAE | NAD | CAC | H17 | 39.6° | 60.0° |
| NAD | CAE | CAG | H19 | 146.5° | 60.0° |
| NAD | CAE | CAG | H20 | 93.9° | 60.0° |
| CAG | OAH | CAI | CAR | 43.5° | 0.3° |
| CAG | OAH | CAI | CAJ | 136.9° | 180.0° |
| OAH | CAG | H19 | H20 | 119.3° | 120.1° |
| CAC | CAB | CAS | OAA | 123.4° | 120.0° |
| CAC | CAB | CAS | H14 | 118.7° | 120.0° |
| CAC | CAB | OAA | H14 | 118.0° | 120.0° |
| CAB | CAC | NAD | H16 | 120.3° | 120.0° |
| CAB | CAC | NAD | H17 | 120.3° | 120.0° |
| CAC | CAB | CAS | NAT | 151.1° | 177.3° |
| CAC | CAB | CAS | H12 | 30.3° | 57.3° |
| CAC | CAB | CAS | H13 | 88.2° | 62.7° |
| CAC | CAB | OAA | H15 | 180.0° | 60.0° |
| CAB | CAC | H16 | H17 | 119.1° | 120.0° |
| CAB | CAC | NAD | H18 | 99.3° | 0.0° |
| CAS | CAB | OAA | H14 | 116.7° | 120.0° |
| CAS | CAB | CAC | NAD | 7.2° | 175.0° |
| CAB | CAS | NAT | CAU | 139.3° | 75.9° |
| CAB | CAS | NAT | H12 | 120.8° | 120.0° |
| CAB | CAS | NAT | H13 | 120.8° | 120.0° |
| CAB | CAS | NAT | CAY | 99.9° | 161.2° |
| CAB | CAS | H12 | H13 | 117.6° | 120.0° |
| CAS | CAB | OAA | H15 | 54.7° | 60.0° |
| CAS | CAB | CAC | H16 | 113.1° | 55.0° |
| CAS | CAB | CAC | H17 | 127.5° | 65.0° |
| OAA | CAB | CAC | NAD | 129.4° | 65.0° |
| OAA | CAB | CAS | NAT | 27.6° | 62.7° |
| OAA | CAB | CAS | H12 | 93.1° | 177.3° |
| OAA | CAB | CAS | H13 | 148.4° | 57.3° |
| OAA | CAB | CAC | H16 | 9.1° | 175.0° |
| OAA | CAB | CAC | H17 | 110.3° | 55.0° |
| NAD | CAC | CAB | H14 | 111.4° | 55.0° |
| NAD | CAC | H16 | H17 | 119.1° | 120.0° |
| CAV | CAU | NAT | H1 | 120.5° | 119.7° |
| CAV | CAU | NAT | H2 | 120.5° | 119.7° |
| CAV | CAU | NAT | CAS | 178.4° | 165.3° |
| CAU | CAV | CAW | H3 | 120.1° | 120.2° |
| CAU | CAV | CAW | H4 | 120.1° | 120.1° |
| CAV | CAU | NAT | CAY | 58.8° | 71.3° |
| CAU | CAV | CAW | CBC | 159.2° | 163.1° |
| CAU | CAV | CAW | CAX | 20.8° | 16.8° |
| CAV | CAU | H1 | H2 | 118.6° | 120.4° |
| CAU | CAV | H3 | H4 | 119.7° | 119.8° |
| CAU | NAT | CAS | CAY | 120.7° | 123.0° |
| NAT | CAU | CAV | CAW | 50.3° | 50.4° |
| CAU | NAT | CAY | CAX | 36.5° | 52.6° |
| NAT | CAU | H1 | H2 | 118.6° | 120.6° |
| NAT | CAU | CAV | H3 | 170.4° | 170.6° |
| NAT | CAU | CAV | H4 | 69.8° | 69.7° |
| CAU | NAT | CAY | H9 | 157.4° | 67.8° |
| CAU | NAT | CAY | H10 | 84.4° | 172.8° |
| CAU | NAT | CAS | H12 | 99.9° | 44.1° |
| CAU | NAT | CAS | H13 | 18.6° | 164.1° |
| CAS | NAT | CAY | CAX | 156.2° | 176.0° |
| CAS | NAT | CAU | H1 | 61.1° | 45.6° |
| CAS | NAT | CAU | H2 | 57.9° | 75.0° |
| CAS | NAT | CAY | H9 | 82.9° | 55.6° |
| CAS | NAT | CAY | H10 | 35.3° | 63.8° |
| NAT | CAS | H12 | H13 | 117.6° | 120.0° |
| NAT | CAS | CAB | H14 | 90.2° | 57.3° |
| CAV | CAW | CBC | CAX | 180.0° | 179.9° |
| CAV | CAW | CAX | CAY | 0.1° | 0.4° |
| CAV | CAW | CBC | CBB | 179.9° | 179.9° |
| CAV | CAW | CAX | CAZ | 179.8° | 179.8° |
| CAW | CAV | CAU | H1 | 170.7° | 170.0° |
| CAW | CAV | CAU | H2 | 70.2° | 69.4° |
| CAW | CAV | H3 | H4 | 119.7° | 119.7° |
| CAV | CAW | CBC | H5 | 0.1° | 0.0° |
| NAT | CAY | CAX | CAW | 7.9° | 17.5° |
| NAT | CAY | CAX | H9 | 120.9° | 120.3° |
| NAT | CAY | CAX | H10 | 120.9° | 120.1° |
| NAT | CAY | CAX | CAZ | 172.0° | 162.6° |
| CAY | NAT | CAU | H1 | 179.3° | 169.0° |
| CAY | NAT | CAU | H2 | 61.7° | 48.4° |
| NAT | CAY | H9 | H10 | 117.2° | 119.3° |
| CAY | NAT | CAS | H12 | 20.8° | 78.8° |
| CAY | NAT | CAS | H13 | 139.3° | 41.2° |
| CAQ | CAR | CAI | H26 | 180.0° | 179.5° |
| CAQ | CAR | CAI | OAH | 179.8° | 179.8° |
| CAR | CAQ | CAP | H25 | 180.0° | 179.8° |
| CAQ | CAR | CAI | CAJ | 0.2° | 0.5° |
| CAR | CAQ | CAP | CAO | 0.1° | 0.2° |
| CAR | CAQ | CAP | H24 | 179.9° | 179.8° |
| CAR | CAI | OAH | CAJ | 179.6° | 179.8° |
| CAI | CAR | CAQ | CAP | 0.1° | 0.4° |
| CAR | CAI | CAJ | CAO | 0.5° | 0.2° |
| CAR | CAI | CAJ | NAK | 180.0° | 179.7° |
| CAI | CAR | CAQ | H25 | 179.9° | 179.8° |
| OAH | CAI | CAJ | CAO | 179.9° | 180.0° |
| OAH | CAI | CAJ | NAK | 0.4° | 0.0° |
| CAI | OAH | CAG | H19 | 75.1° | 60.1° |
| CAI | OAH | CAG | H20 | 44.4° | 60.0° |
| OAH | CAI | CAR | H26 | 0.2° | 0.2° |
| CAQ | CAP | CAO | H24 | 180.0° | 180.0° |
| CAQ | CAP | CAO | CAJ | 0.2° | 0.0° |
| CAQ | CAP | CAO | CAN | 179.6° | 179.9° |
| CAP | CAQ | CAR | H26 | 179.9° | 180.0° |
| CAI | CAJ | CAO | CAP | 0.5° | 0.0° |
| CAI | CAJ | CAO | NAK | 179.5° | 180.0° |
| CAI | CAJ | CAO | CAN | 179.3° | 180.0° |
| CAI | CAJ | NAK | CAL | 179.3° | 180.0° |
| CAJ | CAI | CAR | H26 | 179.8° | 180.0° |
| CBC | CAW | CAX | CAY | 179.9° | 179.5° |
| CAW | CBC | CBB | H5 | 180.0° | 179.9° |
| CBC | CAW | CAX | CAZ | 0.2° | 0.3° |
| CAW | CBC | CBB | CBA | 0.7° | 0.0° |
| CBC | CAW | CAV | H3 | 39.1° | 42.9° |
| CBC | CAW | CAV | H4 | 80.7° | 76.8° |
| CAW | CBC | CBB | H6 | 179.3° | 179.9° |
| CAW | CAX | CAY | CAZ | 179.9° | 179.8° |
| CAX | CAW | CBC | CBB | 0.2° | 0.2° |
| CAW | CAX | CAZ | CBA | 0.0° | 0.2° |
| CAX | CAW | CAV | H3 | 140.9° | 137.1° |
| CAX | CAW | CAV | H4 | 99.3° | 103.3° |
| CAX | CAW | CBC | H5 | 179.8° | 179.9° |
| CAW | CAX | CAZ | H8 | 180.0° | 179.8° |
| CAW | CAX | CAY | H9 | 128.8° | 102.7° |
| CAW | CAX | CAY | H10 | 113.1° | 137.7° |
| CAY | CAX | CAZ | CBA | 179.9° | 179.6° |
| CAY | CAX | CAZ | H8 | 0.1° | 0.4° |
| CAX | CAY | H9 | H10 | 117.1° | 119.6° |
| CBC | CBB | CBA | H6 | 180.0° | 179.9° |
| CBC | CBB | CBA | CAZ | 0.9° | 0.1° |
| CBC | CBB | CBA | H7 | 179.1° | 179.9° |
| CAX | CAZ | CBA | CBB | 0.5° | 0.1° |
| CAX | CAZ | CBA | H8 | 180.0° | 180.0° |
| CAX | CAZ | CBA | H7 | 179.5° | 180.0° |
| CAZ | CAX | CAY | H9 | 51.1° | 77.1° |
| CAZ | CAX | CAY | H10 | 67.0° | 42.5° |
| CAP | CAO | CAJ | CAN | 179.8° | 180.0° |
| CAP | CAO | CAJ | NAK | 180.0° | 180.0° |
| CAP | CAO | CAN | CAM | 179.8° | 180.0° |
| CAP | CAO | CAN | H23 | 0.2° | 0.1° |
| CAO | CAP | CAQ | H25 | 179.9° | 180.0° |
| CAO | CAJ | NAK | CAL | 0.2° | 0.0° |
| CAJ | CAO | CAN | CAM | 0.0° | 0.1° |
| CAJ | CAO | CAN | H23 | 180.0° | 179.9° |
| CAJ | CAO | CAP | H24 | 179.8° | 180.0° |
| NAK | CAJ | CAO | CAN | 0.2° | 0.0° |
| CAJ | NAK | CAL | CAM | 0.1° | 0.1° |
| CAJ | NAK | CAL | H21 | 179.9° | 180.0° |
| CAO | CAN | CAM | H23 | 180.0° | 179.9° |
| CAO | CAN | CAM | CAL | 0.1° | 0.0° |
| CAO | CAN | CAM | H22 | 179.9° | 180.0° |
| CAN | CAO | CAP | H24 | 0.4° | 0.0° |
| NAK | CAL | CAM | CAN | 0.0° | 0.0° |
| NAK | CAL | CAM | H21 | 180.0° | 179.9° |
| NAK | CAL | CAM | H22 | 180.0° | 180.0° |
| CBB | CBA | CAZ | H7 | 180.0° | 180.0° |
| CBA | CBB | CBC | H5 | 179.3° | 179.9° |
| CBB | CBA | CAZ | H8 | 179.5° | 180.0° |
| CAZ | CBA | CBB | H6 | 179.1° | 179.9° |
| CAN | CAM | CAL | H22 | 180.0° | 180.0° |
| CAN | CAM | CAL | H21 | 180.0° | 180.0° |
| CAL | CAM | CAN | H23 | 179.9° | 179.9° |
| H1 | CAU | CAV | H3 | 69.2° | 69.7° |
| H1 | CAU | CAV | H4 | 50.6° | 50.0° |
| H2 | CAU | CAV | H3 | 49.9° | 50.8° |
| H2 | CAU | CAV | H4 | 169.7° | 170.5° |
| H5 | CBC | CBB | H6 | 0.7° | 0.1° |
| H6 | CBB | CBA | H7 | 0.9° | 0.1° |
| H7 | CBA | CAZ | H8 | 0.5° | 0.0° |
| H12 | CAS | CAB | H14 | 149.0° | 62.7° |
| H13 | CAS | CAB | H14 | 30.6° | 177.3° |
| H14 | CAB | OAA | H15 | 62.0° | 180.0° |
| H14 | CAB | CAC | H16 | 128.3° | 65.0° |
| H14 | CAB | CAC | H17 | 8.9° | 175.0° |
| H16 | CAC | NAD | H18 | 21.0° | 120.0° |
| H17 | CAC | NAD | H18 | 140.4° | 120.0° |
| H21 | CAL | CAM | H22 | 0.0° | 0.0° |
| H22 | CAM | CAN | H23 | 0.1° | 0.1° |
| H24 | CAP | CAQ | H25 | 0.1° | 0.0° |
| H25 | CAQ | CAR | H26 | 0.1° | 0.2° |
