2Y8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| FAF | CAK | sing | 1.40Å | 1.31Å | |
| CAK | CAL | sing | 1.53Å | 1.49Å | |
| CAL | OAQ | sing | 1.43Å | 1.44Å | |
| OAQ | CAY | sing | 1.36Å | 1.34Å | |
| CAC | CBC | sing | 1.53Å | 1.54Å | |
| CAY | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
| CAY | CAX | sing | 1.39Å | 1.41Å | Aromatic |
| OAP | CAX | sing | 1.36Å | 1.35Å | |
| OAP | CAA | sing | 1.43Å | 1.45Å | |
| CAJ | CAW | sing | 1.40Å | 1.37Å | Aromatic |
| CAX | CAH | doub | 1.39Å | 1.38Å | Aromatic |
| NAO | CBB | sing | 1.31Å | 1.35Å | Aromatic |
| NAO | CBA | doub | 1.30Å | 1.36Å | Aromatic |
| CBC | SAR | sing | 1.81Å | 1.80Å | |
| CBC | CBB | sing | 1.51Å | 1.56Å | |
| CAW | CBA | sing | 1.48Å | 1.33Å | |
| CAW | CAG | doub | 1.40Å | 1.39Å | Aromatic |
| SAR | C2 | sing | 1.76Å | 1.77Å | |
| CAH | CAG | sing | 1.38Å | 1.38Å | Aromatic |
| N3 | C2 | doub | 1.33Å | 1.35Å | Aromatic |
| N3 | C4 | sing | 1.33Å | 1.34Å | Aromatic |
| CBB | CAV | doub | 1.34Å | 1.34Å | Aromatic |
| CBA | SAS | sing | 1.76Å | 1.54Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.35Å | Aromatic |
| NAE | C4 | sing | 1.39Å | 1.33Å | |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| N1 | C6 | doub | 1.33Å | 1.36Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | NAD | sing | 1.39Å | 1.33Å | |
| CAV | SAS | sing | 1.76Å | 1.58Å | Aromatic |
| CAV | CAB | sing | 1.51Å | 1.51Å | |
| CAK | H1 | sing | 1.09Å | 1.10Å | |
| CAK | H2 | sing | 1.09Å | 1.10Å | |
| CAL | H3 | sing | 1.09Å | 1.10Å | |
| CAL | H4 | sing | 1.09Å | 1.10Å | |
| CAJ | H5 | sing | 1.08Å | 1.08Å | |
| CAA | H6 | sing | 1.09Å | 1.10Å | |
| CAA | H7 | sing | 1.09Å | 1.10Å | |
| CAA | H8 | sing | 1.09Å | 1.10Å | |
| CAH | H9 | sing | 1.08Å | 1.08Å | |
| CAG | H10 | sing | 1.08Å | 1.08Å | |
| CAB | H11 | sing | 1.09Å | 1.10Å | |
| CAB | H12 | sing | 1.09Å | 1.10Å | |
| CAB | H13 | sing | 1.09Å | 1.10Å | |
| CBC | H14 | sing | 1.09Å | 1.10Å | |
| CAC | H15 | sing | 1.09Å | 1.10Å | |
| CAC | H16 | sing | 1.09Å | 1.10Å | |
| CAC | H17 | sing | 1.09Å | 1.10Å | |
| NAD | H18 | sing | 0.97Å | 1.00Å | |
| NAD | H19 | sing | 0.97Å | 1.00Å | |
| C5 | H20 | sing | 1.08Å | 1.08Å | |
| NAE | H21 | sing | 0.97Å | 1.00Å | |
| NAE | H22 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FAF | CAK | CAL | 104.6° | 109.5° |
| FAF | CAK | H1 | 110.7° | 109.5° |
| FAF | CAK | H2 | 110.6° | 109.5° |
| CAK | CAL | OAQ | 103.1° | 109.5° |
| CAL | CAK | H1 | 110.7° | 109.4° |
| CAL | CAK | H2 | 110.7° | 109.4° |
| CAK | CAL | H3 | 111.0° | 109.5° |
| CAK | CAL | H4 | 111.0° | 109.5° |
| CAL | OAQ | CAY | 113.0° | 117.0° |
| OAQ | CAL | H3 | 111.0° | 109.4° |
| OAQ | CAL | H4 | 111.1° | 109.4° |
| OAQ | CAY | CAJ | 121.0° | 120.0° |
| OAQ | CAY | CAX | 117.0° | 120.0° |
| CAC | CBC | SAR | 110.3° | 109.5° |
| CAC | CBC | CBB | 111.9° | 109.4° |
| CAC | CBC | H14 | 108.7° | 109.5° |
| CBC | CAC | H15 | 109.5° | 109.4° |
| CBC | CAC | H16 | 109.5° | 109.4° |
| CBC | CAC | H17 | 109.4° | 109.5° |
| CAJ | CAY | CAX | 121.9° | 120.0° |
| CAY | CAJ | CAW | 118.2° | 119.9° |
| CAY | CAJ | H5 | 120.9° | 120.1° |
| CAY | CAX | OAP | 117.8° | 119.9° |
| CAY | CAX | CAH | 119.0° | 120.1° |
| CAX | OAP | CAA | 120.8° | 117.0° |
| OAP | CAX | CAH | 123.2° | 119.9° |
| OAP | CAA | H6 | 109.5° | 109.5° |
| OAP | CAA | H7 | 109.5° | 109.5° |
| OAP | CAA | H8 | 109.5° | 109.5° |
| CAJ | CAW | CBA | 120.8° | 120.1° |
| CAJ | CAW | CAG | 119.8° | 119.9° |
| CAW | CAJ | H5 | 120.9° | 120.0° |
| CAX | CAH | CAG | 118.7° | 120.2° |
| CAX | CAH | H9 | 120.6° | 119.9° |
| CBB | NAO | CBA | 110.5° | 117.0° |
| NAO | CBB | CBC | 126.4° | 122.0° |
| NAO | CBB | CAV | 112.0° | 115.9° |
| NAO | CBA | CAW | 128.1° | 125.5° |
| NAO | CBA | SAS | 110.9° | 109.1° |
| SAR | CBC | CBB | 111.1° | 109.5° |
| CBC | SAR | C2 | 103.0° | 100.0° |
| SAR | CBC | H14 | 106.0° | 109.5° |
| CBC | CBB | CAV | 121.6° | 122.1° |
| CBB | CBC | H14 | 108.6° | 109.4° |
| CBA | CAW | CAG | 119.5° | 120.1° |
| CAW | CBA | SAS | 120.9° | 125.5° |
| CAW | CAG | CAH | 122.4° | 120.0° |
| CAW | CAG | H10 | 118.8° | 120.0° |
| SAR | C2 | N3 | 120.0° | 119.1° |
| SAR | C2 | N1 | 119.7° | 119.1° |
| CAG | CAH | H9 | 120.6° | 119.9° |
| CAH | CAG | H10 | 118.8° | 120.0° |
| C2 | N3 | C4 | 122.0° | 120.8° |
| N3 | C2 | N1 | 120.2° | 121.7° |
| N3 | C4 | NAE | 118.9° | 120.5° |
| N3 | C4 | C5 | 119.5° | 119.1° |
| CBB | CAV | SAS | 109.4° | 108.2° |
| CBB | CAV | CAB | 126.2° | 125.9° |
| CBA | SAS | CAV | 97.1° | 89.8° |
| C2 | N1 | C6 | 119.6° | 120.8° |
| NAE | C4 | C5 | 121.6° | 120.5° |
| C4 | NAE | H21 | 109.5° | 120.0° |
| C4 | NAE | H22 | 109.5° | 120.0° |
| C4 | C5 | C6 | 117.5° | 118.4° |
| C4 | C5 | H20 | 121.2° | 120.7° |
| N1 | C6 | C5 | 121.1° | 119.1° |
| N1 | C6 | NAD | 118.6° | 120.5° |
| C5 | C6 | NAD | 120.3° | 120.4° |
| C6 | C5 | H20 | 121.2° | 120.8° |
| C6 | NAD | H18 | 109.5° | 120.0° |
| C6 | NAD | H19 | 109.5° | 120.0° |
| SAS | CAV | CAB | 124.3° | 125.9° |
| CAV | CAB | H11 | 109.5° | 109.4° |
| CAV | CAB | H12 | 109.5° | 109.4° |
| CAV | CAB | H13 | 109.5° | 109.4° |
| H1 | CAK | H2 | 109.5° | 109.4° |
| H3 | CAL | H4 | 109.5° | 109.5° |
| H6 | CAA | H7 | 109.5° | 109.5° |
| H6 | CAA | H8 | 109.5° | 109.4° |
| H7 | CAA | H8 | 109.5° | 109.5° |
| H11 | CAB | H12 | 109.4° | 109.5° |
| H11 | CAB | H13 | 109.5° | 109.5° |
| H12 | CAB | H13 | 109.5° | 109.5° |
| H15 | CAC | H16 | 109.5° | 109.5° |
| H15 | CAC | H17 | 109.5° | 109.5° |
| H16 | CAC | H17 | 109.5° | 109.5° |
| H18 | NAD | H19 | 109.5° | 120.1° |
| H21 | NAE | H22 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FAF | CAK | CAL | H1 | 119.2° | 120.0° |
| FAF | CAK | CAL | H2 | 119.2° | 120.1° |
| FAF | CAK | CAL | OAQ | 170.3° | 65.0° |
| FAF | CAK | H1 | H2 | 122.2° | 120.1° |
| FAF | CAK | CAL | H3 | 70.7° | 175.0° |
| FAF | CAK | CAL | H4 | 51.3° | 55.0° |
| CAK | CAL | OAQ | H3 | 119.0° | 120.1° |
| CAK | CAL | OAQ | H4 | 119.0° | 120.0° |
| CAK | CAL | OAQ | CAY | 165.7° | 180.0° |
| CAL | CAK | H1 | H2 | 122.3° | 119.9° |
| CAK | CAL | H3 | H4 | 122.9° | 120.0° |
| CAL | OAQ | CAY | CAJ | 48.6° | 0.0° |
| CAL | OAQ | CAY | CAX | 132.9° | 179.7° |
| OAQ | CAL | CAK | H1 | 51.1° | 55.1° |
| OAQ | CAL | CAK | H2 | 70.5° | 175.0° |
| OAQ | CAL | H3 | H4 | 123.0° | 119.9° |
| OAQ | CAY | CAJ | CAX | 178.4° | 179.7° |
| OAQ | CAY | CAX | OAP | 1.6° | 0.0° |
| OAQ | CAY | CAJ | CAW | 179.1° | 180.0° |
| OAQ | CAY | CAX | CAH | 179.3° | 180.0° |
| CAY | OAQ | CAL | H3 | 75.4° | 60.0° |
| CAY | OAQ | CAL | H4 | 46.7° | 60.0° |
| OAQ | CAY | CAJ | H5 | 0.8° | 0.0° |
| CAC | CBC | CBB | NAO | 59.4° | 75.0° |
| CAC | CBC | SAR | CBB | 124.6° | 120.0° |
| CAC | CBC | SAR | H14 | 117.5° | 120.0° |
| CAC | CBC | CBB | H14 | 120.0° | 119.9° |
| CAC | CBC | SAR | C2 | 80.5° | 65.0° |
| CAC | CBC | CBB | CAV | 121.0° | 105.1° |
| CBC | CAC | H15 | H16 | 120.0° | 119.9° |
| CBC | CAC | H15 | H17 | 120.0° | 120.0° |
| CBC | CAC | H16 | H17 | 120.0° | 120.0° |
| CAJ | CAY | CAX | OAP | 179.9° | 179.8° |
| CAY | CAJ | CAW | H5 | 180.0° | 180.0° |
| CAJ | CAY | CAX | CAH | 0.8° | 0.2° |
| CAY | CAJ | CAW | CBA | 179.6° | 180.0° |
| CAY | CAJ | CAW | CAG | 0.0° | 0.0° |
| CAY | CAX | OAP | CAH | 179.1° | 180.0° |
| CAY | CAX | OAP | CAA | 170.2° | 180.0° |
| CAX | CAY | CAJ | CAW | 0.7° | 0.3° |
| CAY | CAX | CAH | CAG | 0.1° | 0.0° |
| CAX | CAY | CAJ | H5 | 179.3° | 179.8° |
| CAY | CAX | CAH | H9 | 179.9° | 180.0° |
| OAP | CAX | CAH | CAG | 179.2° | 179.9° |
| CAX | OAP | CAA | H6 | 180.0° | 180.0° |
| CAX | OAP | CAA | H7 | 60.0° | 60.0° |
| CAX | OAP | CAA | H8 | 60.0° | 60.0° |
| OAP | CAX | CAH | H9 | 0.8° | 0.0° |
| CAA | OAP | CAX | CAH | 10.7° | 0.0° |
| OAP | CAA | H6 | H7 | 120.0° | 120.0° |
| OAP | CAA | H6 | H8 | 120.0° | 120.0° |
| OAP | CAA | H7 | H8 | 120.0° | 120.0° |
| CAJ | CAW | CBA | NAO | 23.4° | 179.7° |
| CAJ | CAW | CBA | CAG | 179.6° | 179.9° |
| CAJ | CAW | CAG | CAH | 0.6° | 0.3° |
| CAJ | CAW | CBA | SAS | 156.4° | 0.1° |
| CAJ | CAW | CAG | H10 | 179.4° | 180.0° |
| CAX | CAH | CAG | CAW | 0.6° | 0.3° |
| CAX | CAH | CAG | H9 | 180.0° | 180.0° |
| CAX | CAH | CAG | H10 | 179.4° | 180.0° |
| NAO | CBB | CBC | SAR | 64.3° | 45.0° |
| NAO | CBB | CBC | CAV | 179.6° | 179.9° |
| CBB | NAO | CBA | CAW | 180.0° | 180.0° |
| CBB | NAO | CBA | SAS | 0.3° | 0.3° |
| NAO | CBB | CAV | SAS | 0.2° | 0.1° |
| NAO | CBB | CAV | CAB | 179.7° | 179.9° |
| NAO | CBB | CBC | H14 | 179.5° | 165.0° |
| CBA | NAO | CBB | CBC | 179.6° | 180.0° |
| NAO | CBA | CAW | SAS | 179.8° | 179.7° |
| NAO | CBA | CAW | CAG | 156.2° | 0.3° |
| CBA | NAO | CBB | CAV | 0.0° | 0.1° |
| NAO | CBA | SAS | CAV | 0.3° | 0.3° |
| SAR | CBC | CBB | H14 | 116.2° | 120.0° |
| CBC | SAR | C2 | N3 | 1.7° | 0.3° |
| SAR | CBC | CBB | CAV | 115.3° | 134.9° |
| CBC | SAR | C2 | N1 | 176.9° | 180.0° |
| SAR | CBC | CAC | H15 | 180.0° | 60.0° |
| SAR | CBC | CAC | H16 | 60.0° | 60.0° |
| SAR | CBC | CAC | H17 | 60.0° | 180.0° |
| CBB | CBC | SAR | C2 | 154.8° | 175.0° |
| CBC | CBB | CAV | SAS | 179.4° | 179.8° |
| CBC | CBB | CAV | CAB | 0.7° | 0.0° |
| CBB | CBC | CAC | H15 | 55.8° | 60.0° |
| CBB | CBC | CAC | H16 | 64.2° | 180.0° |
| CBB | CBC | CAC | H17 | 175.8° | 60.0° |
| CBA | CAW | CAG | CAH | 179.8° | 179.7° |
| CAW | CBA | SAS | CAV | 179.9° | 180.0° |
| CBA | CAW | CAJ | H5 | 0.4° | 0.1° |
| CBA | CAW | CAG | H10 | 0.2° | 0.0° |
| CAW | CAG | CAH | H10 | 180.0° | 179.7° |
| CAG | CAW | CBA | SAS | 24.0° | 180.0° |
| CAG | CAW | CAJ | H5 | 180.0° | 180.0° |
| CAW | CAG | CAH | H9 | 179.4° | 179.7° |
| SAR | C2 | N3 | N1 | 178.6° | 179.8° |
| SAR | C2 | N3 | C4 | 179.9° | 180.0° |
| SAR | C2 | N1 | C6 | 179.3° | 180.0° |
| C2 | SAR | CBC | H14 | 37.0° | 55.0° |
| C2 | N3 | C4 | NAE | 179.1° | 179.9° |
| C2 | N3 | C4 | C5 | 0.3° | 0.0° |
| N3 | C2 | N1 | C6 | 2.2° | 0.3° |
| C4 | N3 | C2 | N1 | 1.5° | 0.3° |
| N3 | C4 | NAE | C5 | 178.9° | 179.9° |
| N3 | C4 | C5 | C6 | 0.4° | 0.2° |
| N3 | C4 | C5 | H20 | 179.6° | 179.9° |
| N3 | C4 | NAE | H21 | 0.0° | 0.0° |
| N3 | C4 | NAE | H22 | 120.0° | 180.0° |
| CBB | CAV | SAS | CBA | 0.3° | 0.2° |
| CBB | CAV | SAS | CAB | 179.9° | 179.8° |
| CBB | CAV | CAB | H11 | 179.9° | 179.7° |
| CBB | CAV | CAB | H12 | 59.9° | 60.3° |
| CBB | CAV | CAB | H13 | 60.1° | 59.7° |
| CAV | CBB | CBC | H14 | 0.9° | 14.9° |
| CBA | SAS | CAV | CAB | 179.6° | 180.0° |
| C2 | N1 | C6 | C5 | 1.5° | 0.0° |
| C2 | N1 | C6 | NAD | 179.6° | 180.0° |
| NAE | C4 | C5 | C6 | 178.5° | 179.7° |
| NAE | C4 | C5 | H20 | 1.5° | 0.0° |
| C4 | NAE | H21 | H22 | 120.0° | 179.9° |
| C4 | C5 | C6 | N1 | 0.3° | 0.2° |
| C4 | C5 | C6 | H20 | 180.0° | 179.7° |
| C4 | C5 | C6 | NAD | 179.2° | 179.8° |
| C5 | C4 | NAE | H21 | 178.8° | 180.0° |
| C5 | C4 | NAE | H22 | 61.1° | 0.1° |
| N1 | C6 | C5 | NAD | 178.9° | 180.0° |
| N1 | C6 | NAD | H18 | 0.0° | 0.0° |
| N1 | C6 | NAD | H19 | 120.0° | 180.0° |
| N1 | C6 | C5 | H20 | 179.7° | 179.9° |
| C5 | C6 | NAD | H18 | 178.9° | 180.0° |
| C5 | C6 | NAD | H19 | 58.9° | 0.0° |
| C6 | NAD | H18 | H19 | 120.0° | 180.0° |
| NAD | C6 | C5 | H20 | 0.8° | 0.1° |
| SAS | CAV | CAB | H11 | 0.0° | 0.0° |
| SAS | CAV | CAB | H12 | 120.0° | 120.0° |
| SAS | CAV | CAB | H13 | 120.0° | 120.0° |
| CAV | CAB | H11 | H12 | 120.0° | 120.0° |
| CAV | CAB | H11 | H13 | 120.0° | 120.0° |
| CAV | CAB | H12 | H13 | 120.0° | 120.0° |
| H1 | CAK | CAL | H3 | 170.1° | 65.0° |
| H1 | CAK | CAL | H4 | 67.9° | 175.0° |
| H2 | CAK | CAL | H3 | 48.5° | 54.9° |
| H2 | CAK | CAL | H4 | 170.5° | 65.1° |
| H6 | CAA | H7 | H8 | 120.0° | 120.0° |
| H9 | CAH | CAG | H10 | 0.6° | 0.0° |
| H11 | CAB | H12 | H13 | 120.0° | 120.1° |
| H14 | CBC | CAC | H15 | 64.2° | 180.0° |
| H14 | CBC | CAC | H16 | 175.8° | 60.1° |
| H14 | CBC | CAC | H17 | 55.8° | 60.0° |
| H15 | CAC | H16 | H17 | 120.0° | 120.0° |
