5QH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAC | NAD | sing | 1.47Å | 1.46Å | |
| CAC | CAB | sing | 1.53Å | 1.52Å | |
| OAA | CAB | sing | 1.43Å | 1.41Å | |
| CAU | CAV | sing | 1.53Å | 1.47Å | |
| CAU | NAT | sing | 1.47Å | 1.46Å | |
| CAS | CAB | sing | 1.53Å | 1.55Å | |
| CAS | NAT | sing | 1.47Å | 1.47Å | |
| NAD | CAE | sing | 1.35Å | 1.34Å | |
| CAV | CAW | sing | 1.51Å | 1.41Å | |
| NAT | CAY | sing | 1.47Å | 1.47Å | |
| CAO | NAN | doub | 1.32Å | 1.41Å | Aromatic |
| CAO | CAP | sing | 1.38Å | 1.40Å | Aromatic |
| NAN | CAM | sing | 1.33Å | 1.36Å | Aromatic |
| CAE | OAF | doub | 1.22Å | 1.23Å | |
| CAE | CAG | sing | 1.48Å | 1.41Å | |
| CAH | CAG | doub | 1.39Å | 1.41Å | Aromatic |
| CAH | CAI | sing | 1.39Å | 1.40Å | Aromatic |
| CAG | CAL | sing | 1.40Å | 1.40Å | Aromatic |
| CAP | CAQ | doub | 1.39Å | 1.40Å | Aromatic |
| CAW | CBC | doub | 1.39Å | 1.41Å | Aromatic |
| CAW | CAX | sing | 1.38Å | 1.41Å | Aromatic |
| CAY | CAX | sing | 1.51Å | 1.40Å | |
| CAM | CAI | sing | 1.48Å | 1.39Å | |
| CAM | CAR | doub | 1.39Å | 1.41Å | Aromatic |
| CAI | CAJ | doub | 1.39Å | 1.39Å | Aromatic |
| CBC | CBB | sing | 1.38Å | 1.40Å | Aromatic |
| CAX | CAZ | doub | 1.39Å | 1.40Å | Aromatic |
| CAL | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAQ | CAR | sing | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAK | sing | 1.38Å | 1.39Å | Aromatic |
| CBB | CBA | doub | 1.38Å | 1.40Å | Aromatic |
| CAZ | CBA | sing | 1.38Å | 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 | |
| CAH | H19 | sing | 1.08Å | 1.08Å | |
| CAL | H20 | sing | 1.08Å | 1.08Å | |
| CAK | H21 | sing | 1.08Å | 1.08Å | |
| CAJ | H22 | sing | 1.08Å | 1.08Å | |
| CAO | 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) |
| NAD | CAC | CAB | 101.5° | 109.4° |
| CAC | NAD | CAE | 124.2° | 120.0° |
| NAD | CAC | H16 | 111.4° | 109.5° |
| NAD | CAC | H17 | 111.4° | 109.4° |
| CAC | NAD | H18 | 117.9° | 120.0° |
| CAC | CAB | OAA | 111.0° | 109.5° |
| CAC | CAB | CAS | 110.5° | 109.5° |
| CAC | CAB | H14 | 108.2° | 109.5° |
| CAB | CAC | H16 | 111.5° | 109.5° |
| CAB | CAC | H17 | 111.4° | 109.5° |
| OAA | CAB | CAS | 109.5° | 109.4° |
| OAA | CAB | H14 | 109.8° | 109.4° |
| CAB | OAA | H15 | 109.5° | 114.0° |
| CAV | CAU | NAT | 109.8° | 108.5° |
| CAU | CAV | CAW | 110.1° | 109.9° |
| CAV | CAU | H1 | 109.4° | 109.6° |
| CAV | CAU | H2 | 109.4° | 109.6° |
| CAU | CAV | H3 | 109.3° | 109.4° |
| CAU | CAV | H4 | 109.3° | 109.4° |
| CAU | NAT | CAS | 111.9° | 111.0° |
| CAU | NAT | CAY | 115.5° | 110.3° |
| NAT | CAU | H1 | 109.4° | 109.7° |
| NAT | CAU | H2 | 109.4° | 109.6° |
| CAB | CAS | NAT | 108.5° | 109.5° |
| CAB | CAS | H12 | 109.7° | 109.5° |
| CAB | CAS | H13 | 109.7° | 109.5° |
| CAS | CAB | H14 | 107.8° | 109.5° |
| CAS | NAT | CAY | 110.5° | 111.0° |
| NAT | CAS | H12 | 109.7° | 109.5° |
| NAT | CAS | H13 | 109.7° | 109.4° |
| NAD | CAE | OAF | 123.2° | 120.1° |
| NAD | CAE | CAG | 116.0° | 120.0° |
| CAE | NAD | H18 | 117.9° | 120.0° |
| CAV | CAW | CBC | 119.3° | 118.5° |
| CAV | CAW | CAX | 122.3° | 121.7° |
| CAW | CAV | H3 | 109.3° | 109.4° |
| CAW | CAV | H4 | 109.3° | 109.4° |
| NAT | CAY | CAX | 113.8° | 110.5° |
| NAT | CAY | H9 | 108.4° | 109.3° |
| NAT | CAY | H10 | 108.4° | 109.1° |
| NAN | CAO | CAP | 118.5° | 120.8° |
| CAO | NAN | CAM | 120.4° | 121.7° |
| NAN | CAO | H23 | 120.7° | 119.6° |
| CAO | CAP | CAQ | 121.4° | 119.4° |
| CAP | CAO | H23 | 120.7° | 119.6° |
| CAO | CAP | H24 | 119.3° | 120.3° |
| NAN | CAM | CAI | 119.5° | 119.7° |
| NAN | CAM | CAR | 121.2° | 120.5° |
| OAF | CAE | CAG | 120.8° | 119.9° |
| CAE | CAG | CAH | 122.7° | 120.1° |
| CAE | CAG | CAL | 118.5° | 120.1° |
| CAG | CAH | CAI | 119.9° | 119.7° |
| CAH | CAG | CAL | 118.8° | 119.8° |
| CAG | CAH | H19 | 120.0° | 120.1° |
| CAH | CAI | CAM | 121.9° | 120.1° |
| CAH | CAI | CAJ | 120.2° | 119.9° |
| CAI | CAH | H19 | 120.1° | 120.1° |
| CAG | CAL | CAK | 121.3° | 120.1° |
| CAG | CAL | H20 | 119.3° | 119.9° |
| CAP | CAQ | CAR | 118.9° | 118.5° |
| CAQ | CAP | H24 | 119.3° | 120.3° |
| CAP | CAQ | H25 | 120.6° | 120.7° |
| CBC | CAW | CAX | 118.5° | 119.8° |
| CAW | CBC | CBB | 121.5° | 120.4° |
| CAW | CBC | H5 | 119.2° | 119.8° |
| CAW | CAX | CAY | 121.9° | 121.8° |
| CAW | CAX | CAZ | 120.0° | 119.8° |
| CAY | CAX | CAZ | 118.1° | 118.4° |
| CAX | CAY | H9 | 108.4° | 109.3° |
| CAX | CAY | H10 | 108.4° | 109.3° |
| CAI | CAM | CAR | 119.3° | 119.8° |
| CAM | CAI | CAJ | 117.8° | 120.1° |
| CAM | CAR | CAQ | 119.6° | 119.1° |
| CAM | CAR | H26 | 120.2° | 120.4° |
| CAI | CAJ | CAK | 120.2° | 120.1° |
| CAI | CAJ | H22 | 119.9° | 119.9° |
| CBC | CBB | CBA | 119.7° | 119.9° |
| CBB | CBC | H5 | 119.3° | 119.8° |
| CBC | CBB | H6 | 120.2° | 120.1° |
| CAX | CAZ | CBA | 120.7° | 120.4° |
| CAX | CAZ | H8 | 119.6° | 119.8° |
| CAL | CAK | CAJ | 119.5° | 120.3° |
| CAK | CAL | H20 | 119.3° | 120.0° |
| CAL | CAK | H21 | 120.2° | 119.8° |
| CAR | CAQ | H25 | 120.6° | 120.7° |
| CAQ | CAR | H26 | 120.2° | 120.5° |
| CAJ | CAK | H21 | 120.2° | 119.9° |
| CAK | CAJ | H22 | 119.9° | 120.0° |
| CBB | CBA | CAZ | 119.7° | 119.8° |
| CBA | CBB | H6 | 120.2° | 120.0° |
| CBB | CBA | H7 | 120.2° | 120.2° |
| CAZ | CBA | H7 | 120.2° | 120.0° |
| CBA | CAZ | H8 | 119.6° | 119.8° |
| H1 | CAU | H2 | 109.5° | 109.8° |
| H3 | CAV | H4 | 109.4° | 109.3° |
| H9 | CAY | H10 | 109.5° | 109.2° |
| H12 | CAS | H13 | 109.5° | 109.5° |
| H16 | CAC | H17 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAD | CAC | CAB | H16 | 118.7° | 120.0° |
| NAD | CAC | CAB | H17 | 118.7° | 119.9° |
| NAD | CAC | CAB | OAA | 167.6° | 60.0° |
| NAD | CAC | CAB | CAS | 70.7° | 180.0° |
| CAC | NAD | CAE | H18 | 180.0° | 180.0° |
| CAC | NAD | CAE | OAF | 5.1° | 0.0° |
| CAC | NAD | CAE | CAG | 175.0° | 180.0° |
| NAD | CAC | CAB | H14 | 47.2° | 60.0° |
| NAD | CAC | H16 | H17 | 123.7° | 120.0° |
| CAC | CAB | OAA | CAS | 122.2° | 120.0° |
| CAC | CAB | OAA | H14 | 119.6° | 120.0° |
| CAC | CAB | CAS | H14 | 118.0° | 120.1° |
| CAC | CAB | CAS | NAT | 163.1° | 175.0° |
| CAB | CAC | NAD | CAE | 90.6° | 180.0° |
| CAC | CAB | CAS | H12 | 77.1° | 65.0° |
| CAC | CAB | CAS | H13 | 43.2° | 55.0° |
| CAC | CAB | OAA | H15 | 180.0° | 59.9° |
| CAB | CAC | H16 | H17 | 123.7° | 120.1° |
| CAB | CAC | NAD | H18 | 89.4° | 0.0° |
| OAA | CAB | CAS | H14 | 119.4° | 119.9° |
| OAA | CAB | CAS | NAT | 40.5° | 65.0° |
| OAA | CAB | CAS | H12 | 160.4° | 55.1° |
| OAA | CAB | CAS | H13 | 79.4° | 175.0° |
| OAA | CAB | CAC | H16 | 73.6° | 60.0° |
| OAA | CAB | CAC | H17 | 48.9° | 180.0° |
| CAV | CAU | NAT | H1 | 120.1° | 119.7° |
| CAV | CAU | NAT | H2 | 120.0° | 119.7° |
| CAV | CAU | NAT | CAS | 175.6° | 165.3° |
| CAU | CAV | CAW | H3 | 120.1° | 120.2° |
| CAU | CAV | CAW | H4 | 120.1° | 120.1° |
| CAV | CAU | NAT | CAY | 56.9° | 71.2° |
| CAU | CAV | CAW | CBC | 152.0° | 163.1° |
| CAU | CAV | CAW | CAX | 28.2° | 16.9° |
| CAV | CAU | H1 | H2 | 119.8° | 120.4° |
| CAU | CAV | H3 | H4 | 119.7° | 119.7° |
| CAU | NAT | CAS | CAB | 155.5° | 170.0° |
| CAU | NAT | CAS | CAY | 130.2° | 123.0° |
| NAT | CAU | CAV | CAW | 54.2° | 50.4° |
| CAU | NAT | CAY | CAX | 28.8° | 52.6° |
| NAT | CAU | H1 | H2 | 119.9° | 120.6° |
| NAT | CAU | CAV | H3 | 174.3° | 170.5° |
| NAT | CAU | CAV | H4 | 65.9° | 69.8° |
| CAU | NAT | CAY | H9 | 149.4° | 67.8° |
| CAU | NAT | CAY | H10 | 91.8° | 172.8° |
| CAU | NAT | CAS | H12 | 84.7° | 50.0° |
| CAU | NAT | CAS | H13 | 35.6° | 70.0° |
| CAB | CAS | NAT | H12 | 119.9° | 120.1° |
| CAB | CAS | NAT | H13 | 119.8° | 120.0° |
| CAB | CAS | NAT | CAY | 74.4° | 66.9° |
| CAB | CAS | H12 | H13 | 120.4° | 120.0° |
| CAS | CAB | OAA | H15 | 57.8° | 60.1° |
| CAS | CAB | CAC | H16 | 48.0° | 60.0° |
| CAS | CAB | CAC | H17 | 170.6° | 60.1° |
| CAS | NAT | CAY | CAX | 157.0° | 176.0° |
| CAS | NAT | CAU | H1 | 55.6° | 45.6° |
| CAS | NAT | CAU | H2 | 64.4° | 75.1° |
| CAS | NAT | CAY | H9 | 82.4° | 55.7° |
| CAS | NAT | CAY | H10 | 36.4° | 63.7° |
| NAT | CAS | H12 | H13 | 120.5° | 119.9° |
| NAT | CAS | CAB | H14 | 78.9° | 54.9° |
| NAD | CAE | OAF | CAG | 179.9° | 180.0° |
| NAD | CAE | CAG | CAH | 9.3° | 179.7° |
| NAD | CAE | CAG | CAL | 172.1° | 0.0° |
| CAE | NAD | CAC | H16 | 150.7° | 60.0° |
| CAE | NAD | CAC | H17 | 28.1° | 60.0° |
| CAV | CAW | CBC | CAX | 179.8° | 180.0° |
| CAV | CAW | CAX | CAY | 0.5° | 0.5° |
| CAV | CAW | CBC | CBB | 179.7° | 179.8° |
| CAV | CAW | CAX | CAZ | 179.6° | 179.8° |
| CAW | CAV | CAU | H1 | 174.2° | 170.1° |
| CAW | CAV | CAU | H2 | 65.9° | 69.3° |
| CAW | CAV | H3 | H4 | 119.7° | 119.8° |
| CAV | CAW | CBC | H5 | 0.3° | 0.2° |
| NAT | CAY | CAX | CAW | 0.1° | 17.6° |
| NAT | CAY | CAX | H9 | 120.6° | 120.3° |
| NAT | CAY | CAX | H10 | 120.6° | 120.2° |
| NAT | CAY | CAX | CAZ | 180.0° | 162.7° |
| CAY | NAT | CAU | H1 | 176.9° | 169.1° |
| CAY | NAT | CAU | H2 | 63.1° | 48.4° |
| NAT | CAY | H9 | H10 | 118.0° | 119.3° |
| CAY | NAT | CAS | H12 | 45.5° | 173.0° |
| CAY | NAT | CAS | H13 | 165.8° | 53.0° |
| NAN | CAO | CAP | H23 | 180.0° | 180.0° |
| NAN | CAO | CAP | CAQ | 0.7° | 0.0° |
| CAO | NAN | CAM | CAI | 179.9° | 180.0° |
| CAO | NAN | CAM | CAR | 0.2° | 0.3° |
| NAN | CAO | CAP | H24 | 179.3° | 180.0° |
| CAP | CAO | NAN | CAM | 0.6° | 0.0° |
| CAO | CAP | CAQ | H24 | 180.0° | 180.0° |
| CAO | CAP | CAQ | CAR | 0.3° | 0.3° |
| CAO | CAP | CAQ | H25 | 179.7° | 179.9° |
| NAN | CAM | CAI | CAH | 40.0° | 0.2° |
| NAN | CAM | CAI | CAR | 179.7° | 179.7° |
| NAN | CAM | CAI | CAJ | 139.8° | 179.7° |
| NAN | CAM | CAR | CAQ | 0.2° | 0.6° |
| CAM | NAN | CAO | H23 | 179.4° | 180.0° |
| NAN | CAM | CAR | H26 | 179.8° | 179.7° |
| OAF | CAE | CAG | CAH | 170.8° | 0.3° |
| OAF | CAE | CAG | CAL | 7.8° | 180.0° |
| OAF | CAE | NAD | H18 | 174.8° | 180.0° |
| CAE | CAG | CAH | CAL | 178.6° | 179.7° |
| CAE | CAG | CAH | CAI | 179.3° | 180.0° |
| CAE | CAG | CAL | CAK | 179.5° | 179.9° |
| CAG | CAE | NAD | H18 | 5.0° | 0.0° |
| CAE | CAG | CAH | H19 | 0.8° | 0.0° |
| CAE | CAG | CAL | H20 | 0.5° | 0.0° |
| CAG | CAH | CAI | H19 | 180.0° | 180.0° |
| CAG | CAH | CAI | CAM | 179.6° | 180.0° |
| CAG | CAH | CAI | CAJ | 0.3° | 0.0° |
| CAH | CAG | CAL | CAK | 0.9° | 0.2° |
| CAH | CAG | CAL | H20 | 179.1° | 179.7° |
| CAI | CAH | CAG | CAL | 0.7° | 0.3° |
| CAH | CAI | CAM | CAJ | 179.8° | 180.0° |
| CAH | CAI | CAM | CAR | 140.2° | 180.0° |
| CAH | CAI | CAJ | CAK | 0.1° | 0.3° |
| CAH | CAI | CAJ | H22 | 179.9° | 179.9° |
| CAG | CAL | CAK | H20 | 180.0° | 179.9° |
| CAG | CAL | CAK | CAJ | 0.5° | 0.1° |
| CAL | CAG | CAH | H19 | 179.3° | 179.7° |
| CAG | CAL | CAK | H21 | 179.5° | 180.0° |
| CAP | CAQ | CAR | CAM | 0.1° | 0.5° |
| CAP | CAQ | CAR | H25 | 180.0° | 179.8° |
| CAQ | CAP | CAO | H23 | 179.3° | 180.0° |
| CAP | CAQ | CAR | H26 | 179.9° | 179.8° |
| CBC | CAW | CAX | CAY | 179.7° | 179.5° |
| CAW | CBC | CBB | H5 | 180.0° | 180.0° |
| CBC | CAW | CAX | CAZ | 0.2° | 0.2° |
| CAW | CBC | CBB | CBA | 1.0° | 0.0° |
| CBC | CAW | CAV | H3 | 31.9° | 43.0° |
| CBC | CAW | CAV | H4 | 87.9° | 76.7° |
| CAW | CBC | CBB | H6 | 179.0° | 179.9° |
| CAW | CAX | CAY | CAZ | 179.8° | 179.7° |
| CAX | CAW | CBC | CBB | 0.5° | 0.1° |
| CAW | CAX | CAZ | CBA | 0.4° | 0.1° |
| CAX | CAW | CAV | H3 | 148.3° | 137.1° |
| CAX | CAW | CAV | H4 | 92.0° | 103.2° |
| CAX | CAW | CBC | H5 | 179.5° | 179.9° |
| CAW | CAX | CAZ | H8 | 179.7° | 179.8° |
| CAW | CAX | CAY | H9 | 120.8° | 102.7° |
| CAW | CAX | CAY | H10 | 120.5° | 137.7° |
| CAY | CAX | CAZ | CBA | 179.5° | 179.6° |
| CAY | CAX | CAZ | H8 | 0.5° | 0.5° |
| CAX | CAY | H9 | H10 | 118.1° | 119.6° |
| CAI | CAM | CAR | CAQ | 179.5° | 179.7° |
| CAM | CAI | CAJ | CAK | 180.0° | 179.7° |
| CAM | CAI | CAH | H19 | 0.4° | 0.0° |
| CAM | CAI | CAJ | H22 | 0.1° | 0.0° |
| CAI | CAM | CAR | H26 | 0.5° | 0.0° |
| CAR | CAM | CAI | CAJ | 39.9° | 0.0° |
| CAM | CAR | CAQ | H26 | 180.0° | 179.7° |
| CAM | CAR | CAQ | H25 | 179.8° | 179.7° |
| CAI | CAJ | CAK | CAL | 0.0° | 0.3° |
| CAI | CAJ | CAK | H22 | 180.0° | 179.7° |
| CAJ | CAI | CAH | H19 | 179.8° | 180.0° |
| CAI | CAJ | CAK | H21 | 180.0° | 179.7° |
| CBC | CBB | CBA | H6 | 180.0° | 179.9° |
| CBC | CBB | CBA | CAZ | 0.8° | 0.1° |
| CBC | CBB | CBA | H7 | 179.2° | 179.9° |
| CAX | CAZ | CBA | CBB | 0.1° | 0.0° |
| CAX | CAZ | CBA | H8 | 180.0° | 179.9° |
| CAX | CAZ | CBA | H7 | 179.9° | 180.0° |
| CAZ | CAX | CAY | H9 | 59.4° | 77.0° |
| CAZ | CAX | CAY | H10 | 59.3° | 42.6° |
| CAL | CAK | CAJ | H21 | 180.0° | 179.9° |
| CAL | CAK | CAJ | H22 | 180.0° | 180.0° |
| CAR | CAQ | CAP | H24 | 179.7° | 179.7° |
| CAJ | CAK | CAL | H20 | 179.5° | 180.0° |
| CBB | CBA | CAZ | H7 | 180.0° | 180.0° |
| CBA | CBB | CBC | H5 | 179.0° | 180.0° |
| CBB | CBA | CAZ | H8 | 179.9° | 180.0° |
| CAZ | CBA | CBB | H6 | 179.2° | 179.8° |
| H1 | CAU | CAV | H3 | 65.7° | 69.7° |
| H1 | CAU | CAV | H4 | 54.1° | 49.9° |
| H2 | CAU | CAV | H3 | 54.2° | 50.9° |
| H2 | CAU | CAV | H4 | 174.0° | 170.5° |
| H5 | CBC | CBB | H6 | 1.0° | 0.1° |
| H6 | CBB | CBA | H7 | 0.8° | 0.1° |
| H7 | CBA | CAZ | H8 | 0.1° | 0.1° |
| H12 | CAS | CAB | H14 | 41.0° | 175.0° |
| H13 | CAS | CAB | H14 | 161.3° | 65.0° |
| H14 | CAB | OAA | H15 | 60.4° | 180.0° |
| H14 | CAB | CAC | H16 | 165.9° | 180.0° |
| H14 | CAB | CAC | H17 | 71.6° | 60.0° |
| H16 | CAC | NAD | H18 | 29.3° | 120.0° |
| H17 | CAC | NAD | H18 | 151.9° | 120.0° |
| H20 | CAL | CAK | H21 | 0.5° | 0.0° |
| H21 | CAK | CAJ | H22 | 0.1° | 0.1° |
| H23 | CAO | CAP | H24 | 0.7° | 0.0° |
| H24 | CAP | CAQ | H25 | 0.3° | 0.1° |
| H25 | CAQ | CAR | H26 | 0.2° | 0.1° |
