2Y1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAK | CAN | sing | 1.53Å | 1.52Å | |
| CAK | CAA | sing | 1.53Å | 1.55Å | |
| CAN | CBB | sing | 1.51Å | 1.51Å | |
| SAU | CBB | sing | 1.76Å | 1.70Å | Aromatic |
| SAU | CBC | sing | 1.76Å | 1.67Å | Aromatic |
| CBB | CBD | doub | 1.34Å | 1.37Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| NAD | C6 | sing | 1.39Å | 1.35Å | |
| NAE | C4 | sing | 1.39Å | 1.37Å | |
| CAG | CAH | doub | 1.38Å | 1.38Å | Aromatic |
| CAG | CAX | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | N1 | sing | 1.33Å | 1.33Å | Aromatic |
| C4 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
| CBC | CAX | sing | 1.48Å | 1.39Å | |
| CBC | NAQ | doub | 1.30Å | 1.34Å | Aromatic |
| N1 | C2 | doub | 1.33Å | 1.32Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| CAH | CAY | sing | 1.39Å | 1.40Å | Aromatic |
| CAX | CAJ | doub | 1.40Å | 1.38Å | Aromatic |
| C2 | SAT | sing | 1.76Å | 1.72Å | |
| CAB | OAR | sing | 1.43Å | 1.45Å | |
| CBD | NAQ | sing | 1.31Å | 1.33Å | Aromatic |
| CBD | CBE | sing | 1.51Å | 1.52Å | |
| SAT | CBE | sing | 1.81Å | 1.79Å | |
| CAY | OAR | sing | 1.36Å | 1.39Å | |
| CAY | CAZ | doub | 1.39Å | 1.39Å | Aromatic |
| CAJ | CAZ | sing | 1.38Å | 1.39Å | Aromatic |
| CAZ | OAS | sing | 1.36Å | 1.40Å | |
| CBE | CAC | sing | 1.53Å | 1.53Å | |
| OAS | CAM | sing | 1.43Å | 1.43Å | |
| CAM | CAL | sing | 1.53Å | 1.52Å | |
| CAL | FAF | sing | 1.40Å | 1.38Å | |
| CAL | H1 | sing | 1.09Å | 1.10Å | |
| CAL | H2 | sing | 1.09Å | 1.10Å | |
| CAM | H3 | sing | 1.09Å | 1.10Å | |
| CAM | H4 | sing | 1.09Å | 1.10Å | |
| CAJ | H5 | sing | 1.08Å | 1.08Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAB | H7 | sing | 1.09Å | 1.10Å | |
| CAB | H8 | sing | 1.09Å | 1.10Å | |
| CAH | H9 | sing | 1.08Å | 1.08Å | |
| CAG | H10 | sing | 1.08Å | 1.08Å | |
| CAN | H11 | sing | 1.09Å | 1.10Å | |
| CAN | H12 | sing | 1.09Å | 1.10Å | |
| CAK | H13 | sing | 1.09Å | 1.10Å | |
| CAK | H14 | sing | 1.09Å | 1.10Å | |
| CAA | H15 | sing | 1.09Å | 1.10Å | |
| CAA | H16 | sing | 1.09Å | 1.10Å | |
| CAA | H17 | sing | 1.09Å | 1.10Å | |
| CBE | H18 | sing | 1.09Å | 1.10Å | |
| CAC | H19 | sing | 1.09Å | 1.10Å | |
| CAC | H20 | sing | 1.09Å | 1.10Å | |
| CAC | H21 | sing | 1.09Å | 1.10Å | |
| NAD | H22 | sing | 0.97Å | 1.00Å | |
| NAD | H23 | sing | 0.97Å | 1.00Å | |
| C5 | H24 | sing | 1.08Å | 1.08Å | |
| NAE | H25 | sing | 0.97Å | 1.00Å | |
| NAE | H26 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAN | CAK | CAA | 108.6° | 109.4° |
| CAK | CAN | CBB | 106.3° | 109.5° |
| CAK | CAN | H11 | 110.3° | 109.5° |
| CAK | CAN | H12 | 110.3° | 109.5° |
| CAN | CAK | H13 | 109.7° | 109.5° |
| CAN | CAK | H14 | 109.7° | 109.5° |
| CAA | CAK | H13 | 109.7° | 109.5° |
| CAA | CAK | H14 | 109.7° | 109.5° |
| CAK | CAA | H15 | 109.5° | 109.5° |
| CAK | CAA | H16 | 109.5° | 109.4° |
| CAK | CAA | H17 | 109.5° | 109.5° |
| CAN | CBB | SAU | 127.4° | 125.9° |
| CAN | CBB | CBD | 124.8° | 125.9° |
| CBB | CAN | H11 | 110.3° | 109.5° |
| CBB | CAN | H12 | 110.2° | 109.4° |
| CBB | SAU | CBC | 92.3° | 89.9° |
| SAU | CBB | CBD | 107.8° | 108.2° |
| SAU | CBC | CAX | 124.9° | 125.5° |
| SAU | CBC | NAQ | 112.1° | 109.1° |
| CBB | CBD | NAQ | 115.5° | 115.9° |
| CBB | CBD | CBE | 122.7° | 122.0° |
| C6 | C5 | C4 | 117.7° | 118.4° |
| C5 | C6 | NAD | 121.4° | 120.4° |
| C5 | C6 | N1 | 120.4° | 119.1° |
| C6 | C5 | H24 | 121.1° | 120.8° |
| C5 | C4 | NAE | 119.4° | 120.4° |
| C5 | C4 | N3 | 119.2° | 119.1° |
| C4 | C5 | H24 | 121.1° | 120.8° |
| NAD | C6 | N1 | 118.2° | 120.5° |
| C6 | NAD | H22 | 109.5° | 120.0° |
| C6 | NAD | H23 | 109.5° | 120.0° |
| NAE | C4 | N3 | 121.5° | 120.5° |
| C4 | NAE | H25 | 109.5° | 120.0° |
| C4 | NAE | H26 | 109.5° | 119.9° |
| CAH | CAG | CAX | 119.7° | 120.0° |
| CAG | CAH | CAY | 119.3° | 120.1° |
| CAG | CAH | H9 | 120.4° | 119.9° |
| CAH | CAG | H10 | 120.2° | 120.0° |
| CAG | CAX | CBC | 118.4° | 120.1° |
| CAG | CAX | CAJ | 122.1° | 119.8° |
| CAX | CAG | H10 | 120.2° | 120.0° |
| C6 | N1 | C2 | 120.3° | 120.8° |
| C4 | N3 | C2 | 120.5° | 120.8° |
| CAX | CBC | NAQ | 122.9° | 125.4° |
| CBC | CAX | CAJ | 119.5° | 120.0° |
| CBC | NAQ | CBD | 112.2° | 117.0° |
| N1 | C2 | N3 | 121.9° | 121.7° |
| N1 | C2 | SAT | 116.6° | 119.1° |
| N3 | C2 | SAT | 121.5° | 119.2° |
| CAH | CAY | OAR | 122.8° | 119.9° |
| CAH | CAY | CAZ | 120.1° | 120.2° |
| CAY | CAH | H9 | 120.3° | 120.0° |
| CAX | CAJ | CAZ | 118.0° | 119.9° |
| CAX | CAJ | H5 | 121.0° | 120.0° |
| C2 | SAT | CBE | 102.6° | 100.0° |
| CAB | OAR | CAY | 116.2° | 117.0° |
| OAR | CAB | H6 | 109.5° | 109.4° |
| OAR | CAB | H7 | 109.5° | 109.5° |
| OAR | CAB | H8 | 109.5° | 109.5° |
| NAQ | CBD | CBE | 121.8° | 122.1° |
| CBD | CBE | SAT | 104.2° | 109.5° |
| CBD | CBE | CAC | 111.8° | 109.5° |
| CBD | CBE | H18 | 110.0° | 109.5° |
| SAT | CBE | CAC | 113.9° | 109.5° |
| SAT | CBE | H18 | 106.9° | 109.4° |
| OAR | CAY | CAZ | 117.1° | 119.9° |
| CAY | CAZ | CAJ | 120.8° | 120.0° |
| CAY | CAZ | OAS | 118.2° | 120.0° |
| CAJ | CAZ | OAS | 121.0° | 120.0° |
| CAZ | CAJ | H5 | 121.0° | 120.1° |
| CAZ | OAS | CAM | 111.4° | 117.0° |
| CAC | CBE | H18 | 109.9° | 109.5° |
| CBE | CAC | H19 | 109.5° | 109.5° |
| CBE | CAC | H20 | 109.4° | 109.4° |
| CBE | CAC | H21 | 109.5° | 109.4° |
| OAS | CAM | CAL | 105.4° | 109.5° |
| OAS | CAM | H3 | 110.4° | 109.5° |
| OAS | CAM | H4 | 110.5° | 109.5° |
| CAM | CAL | FAF | 105.9° | 109.5° |
| CAM | CAL | H1 | 110.4° | 109.5° |
| CAM | CAL | H2 | 110.3° | 109.5° |
| CAL | CAM | H3 | 110.5° | 109.4° |
| CAL | CAM | H4 | 110.5° | 109.4° |
| FAF | CAL | H1 | 110.4° | 109.4° |
| FAF | CAL | H2 | 110.4° | 109.5° |
| H1 | CAL | H2 | 109.4° | 109.5° |
| H3 | CAM | H4 | 109.5° | 109.5° |
| H6 | CAB | H7 | 109.4° | 109.5° |
| H6 | CAB | H8 | 109.5° | 109.5° |
| H7 | CAB | H8 | 109.5° | 109.5° |
| H11 | CAN | H12 | 109.5° | 109.5° |
| H13 | CAK | H14 | 109.5° | 109.5° |
| H15 | CAA | H16 | 109.5° | 109.5° |
| H15 | CAA | H17 | 109.5° | 109.5° |
| H16 | CAA | H17 | 109.5° | 109.5° |
| H19 | CAC | H20 | 109.4° | 109.5° |
| H19 | CAC | H21 | 109.5° | 109.5° |
| H20 | CAC | H21 | 109.5° | 109.5° |
| H22 | NAD | H23 | 109.4° | 120.0° |
| H25 | NAE | H26 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAN | CAK | CAA | H13 | 119.9° | 120.0° |
| CAN | CAK | CAA | H14 | 119.9° | 120.0° |
| CAK | CAN | CBB | H11 | 119.5° | 120.0° |
| CAK | CAN | CBB | H12 | 119.5° | 120.0° |
| CAK | CAN | CBB | SAU | 60.1° | 90.0° |
| CAK | CAN | CBB | CBD | 118.2° | 89.7° |
| CAK | CAN | H11 | H12 | 121.5° | 120.0° |
| CAN | CAK | H13 | H14 | 120.4° | 120.0° |
| CAN | CAK | CAA | H15 | 180.0° | 60.0° |
| CAN | CAK | CAA | H16 | 60.0° | 180.0° |
| CAN | CAK | CAA | H17 | 60.0° | 60.0° |
| CAA | CAK | CAN | CBB | 59.3° | 180.0° |
| CAA | CAK | CAN | H11 | 178.8° | 60.0° |
| CAA | CAK | CAN | H12 | 60.2° | 60.0° |
| CAA | CAK | H13 | H14 | 120.4° | 120.0° |
| CAK | CAA | H15 | H16 | 120.0° | 120.0° |
| CAK | CAA | H15 | H17 | 120.0° | 120.0° |
| CAK | CAA | H16 | H17 | 120.0° | 120.0° |
| CAN | CBB | SAU | CBD | 178.5° | 179.8° |
| CAN | CBB | SAU | CBC | 179.5° | 180.0° |
| CAN | CBB | CBD | NAQ | 179.9° | 179.9° |
| CAN | CBB | CBD | CBE | 2.8° | 0.3° |
| CBB | CAN | H11 | H12 | 121.5° | 119.9° |
| CBB | CAN | CAK | H13 | 179.2° | 60.0° |
| CBB | CAN | CAK | H14 | 60.6° | 60.0° |
| CBB | SAU | CBC | CAX | 179.4° | 180.0° |
| CBB | SAU | CBC | NAQ | 0.5° | 0.3° |
| SAU | CBB | CBD | NAQ | 1.3° | 0.1° |
| SAU | CBB | CBD | CBE | 178.6° | 180.0° |
| SAU | CBB | CAN | H11 | 59.4° | 30.0° |
| SAU | CBB | CAN | H12 | 179.5° | 150.0° |
| CBC | SAU | CBB | CBD | 1.0° | 0.2° |
| SAU | CBC | CAX | CAG | 35.3° | 179.7° |
| SAU | CBC | CAX | NAQ | 178.8° | 179.7° |
| SAU | CBC | CAX | CAJ | 146.9° | 0.1° |
| SAU | CBC | NAQ | CBD | 0.2° | 0.3° |
| CBB | CBD | NAQ | CBC | 1.0° | 0.1° |
| CBB | CBD | NAQ | CBE | 177.3° | 179.9° |
| CBB | CBD | CBE | SAT | 97.8° | 135.0° |
| CBB | CBD | CBE | CAC | 138.8° | 105.0° |
| CBD | CBB | CAN | H11 | 122.3° | 150.3° |
| CBD | CBB | CAN | H12 | 1.3° | 30.3° |
| CBB | CBD | CBE | H18 | 16.5° | 15.0° |
| C6 | C5 | C4 | H24 | 180.0° | 179.7° |
| C5 | C6 | NAD | N1 | 179.4° | 180.0° |
| C6 | C5 | C4 | NAE | 179.3° | 180.0° |
| C6 | C5 | C4 | N3 | 1.9° | 0.2° |
| C5 | C6 | N1 | C2 | 0.3° | 0.0° |
| C5 | C6 | NAD | H22 | 179.4° | 180.0° |
| C5 | C6 | NAD | H23 | 60.6° | 0.0° |
| C4 | C5 | C6 | NAD | 179.3° | 179.8° |
| C5 | C4 | NAE | N3 | 178.8° | 179.7° |
| C4 | C5 | C6 | N1 | 1.3° | 0.2° |
| C5 | C4 | N3 | C2 | 1.6° | 0.0° |
| C5 | C4 | NAE | H25 | 178.8° | 0.1° |
| C5 | C4 | NAE | H26 | 58.8° | 180.0° |
| NAD | C6 | N1 | C2 | 179.7° | 180.0° |
| C6 | NAD | H22 | H23 | 120.0° | 180.0° |
| NAD | C6 | C5 | H24 | 0.7° | 0.1° |
| NAE | C4 | N3 | C2 | 179.6° | 179.7° |
| NAE | C4 | C5 | H24 | 0.7° | 0.3° |
| C4 | NAE | H25 | H26 | 120.0° | 179.9° |
| CAH | CAG | CAX | H10 | 180.0° | 179.7° |
| CAH | CAG | CAX | CBC | 179.1° | 180.0° |
| CAG | CAH | CAY | H9 | 180.0° | 179.9° |
| CAH | CAG | CAX | CAJ | 1.3° | 0.2° |
| CAG | CAH | CAY | OAR | 180.0° | 180.0° |
| CAG | CAH | CAY | CAZ | 0.3° | 0.1° |
| CAG | CAX | CBC | CAJ | 177.8° | 179.8° |
| CAG | CAX | CBC | NAQ | 143.6° | 0.0° |
| CAX | CAG | CAH | CAY | 0.7° | 0.3° |
| CAG | CAX | CAJ | CAZ | 1.0° | 0.1° |
| CAG | CAX | CAJ | H5 | 179.0° | 180.0° |
| CAX | CAG | CAH | H9 | 179.3° | 179.8° |
| C6 | N1 | C2 | N3 | 0.1° | 0.3° |
| C6 | N1 | C2 | SAT | 179.7° | 180.0° |
| N1 | C6 | NAD | H22 | 0.0° | 0.0° |
| N1 | C6 | NAD | H23 | 120.0° | 180.0° |
| N1 | C6 | C5 | H24 | 178.7° | 180.0° |
| C4 | N3 | C2 | N1 | 0.6° | 0.3° |
| C4 | N3 | C2 | SAT | 178.9° | 179.9° |
| N3 | C4 | C5 | H24 | 178.1° | 180.0° |
| N3 | C4 | NAE | H25 | 0.0° | 179.8° |
| N3 | C4 | NAE | H26 | 120.0° | 0.3° |
| CAX | CBC | NAQ | CBD | 178.8° | 180.0° |
| CBC | CAX | CAJ | CAZ | 178.7° | 179.8° |
| CBC | CAX | CAJ | H5 | 1.3° | 0.2° |
| CBC | CAX | CAG | H10 | 0.9° | 0.3° |
| NAQ | CBC | CAX | CAJ | 34.3° | 179.8° |
| CBC | NAQ | CBD | CBE | 178.3° | 179.8° |
| N1 | C2 | N3 | SAT | 179.6° | 179.7° |
| N1 | C2 | SAT | CBE | 15.1° | 0.3° |
| N3 | C2 | SAT | CBE | 164.5° | 180.0° |
| CAH | CAY | OAR | CAB | 22.0° | 0.0° |
| CAH | CAY | OAR | CAZ | 179.7° | 180.0° |
| CAH | CAY | CAZ | CAJ | 0.6° | 0.2° |
| CAH | CAY | CAZ | OAS | 179.7° | 179.9° |
| CAY | CAH | CAG | H10 | 179.4° | 180.0° |
| CAX | CAJ | CAZ | CAY | 0.0° | 0.3° |
| CAX | CAJ | CAZ | H5 | 180.0° | 179.9° |
| CAX | CAJ | CAZ | OAS | 179.1° | 180.0° |
| CAJ | CAX | CAG | H10 | 178.7° | 179.9° |
| C2 | SAT | CBE | CBD | 135.5° | 175.0° |
| C2 | SAT | CBE | CAC | 102.5° | 65.0° |
| C2 | SAT | CBE | H18 | 19.1° | 55.1° |
| CAB | OAR | CAY | CAZ | 158.3° | 180.0° |
| OAR | CAB | H6 | H7 | 120.0° | 120.0° |
| OAR | CAB | H6 | H8 | 120.0° | 120.0° |
| OAR | CAB | H7 | H8 | 120.0° | 120.0° |
| NAQ | CBD | CBE | SAT | 79.3° | 45.1° |
| NAQ | CBD | CBE | CAC | 44.1° | 74.8° |
| NAQ | CBD | CBE | H18 | 166.4° | 165.1° |
| CBD | CBE | SAT | CAC | 122.0° | 120.0° |
| CBD | CBE | SAT | H18 | 116.5° | 120.0° |
| CBD | CBE | CAC | H18 | 122.4° | 120.0° |
| CBD | CBE | CAC | H19 | 180.0° | 60.0° |
| CBD | CBE | CAC | H20 | 60.0° | 180.0° |
| CBD | CBE | CAC | H21 | 60.0° | 60.1° |
| SAT | CBE | CAC | H18 | 119.9° | 120.0° |
| SAT | CBE | CAC | H19 | 62.3° | 60.0° |
| SAT | CBE | CAC | H20 | 177.7° | 60.0° |
| SAT | CBE | CAC | H21 | 57.7° | 180.0° |
| OAR | CAY | CAZ | CAJ | 179.7° | 179.7° |
| OAR | CAY | CAZ | OAS | 0.5° | 0.0° |
| CAY | OAR | CAB | H6 | 180.0° | 60.0° |
| CAY | OAR | CAB | H7 | 60.0° | 60.0° |
| CAY | OAR | CAB | H8 | 60.0° | 180.0° |
| OAR | CAY | CAH | H9 | 0.1° | 0.1° |
| CAY | CAZ | CAJ | OAS | 179.1° | 179.7° |
| CAY | CAZ | OAS | CAM | 117.1° | 179.7° |
| CAY | CAZ | CAJ | H5 | 180.0° | 179.8° |
| CAZ | CAY | CAH | H9 | 179.8° | 180.0° |
| CAJ | CAZ | OAS | CAM | 63.8° | 0.0° |
| CAZ | OAS | CAM | CAL | 177.1° | 180.0° |
| CAZ | OAS | CAM | H3 | 63.6° | 60.0° |
| CAZ | OAS | CAM | H4 | 57.7° | 60.0° |
| OAS | CAZ | CAJ | H5 | 0.9° | 0.1° |
| CBE | CAC | H19 | H20 | 120.0° | 120.0° |
| CBE | CAC | H19 | H21 | 120.0° | 120.0° |
| CBE | CAC | H20 | H21 | 120.0° | 119.9° |
| OAS | CAM | CAL | H3 | 119.3° | 120.0° |
| OAS | CAM | CAL | H4 | 119.4° | 120.0° |
| OAS | CAM | CAL | FAF | 172.3° | 65.0° |
| OAS | CAM | CAL | H1 | 68.3° | 55.0° |
| OAS | CAM | CAL | H2 | 52.8° | 175.0° |
| OAS | CAM | H3 | H4 | 121.9° | 120.0° |
| CAM | CAL | FAF | H1 | 119.5° | 120.0° |
| CAM | CAL | FAF | H2 | 119.4° | 120.0° |
| CAM | CAL | H1 | H2 | 121.6° | 120.0° |
| CAL | CAM | H3 | H4 | 121.9° | 120.0° |
| FAF | CAL | H1 | H2 | 121.7° | 120.0° |
| FAF | CAL | CAM | H3 | 52.9° | 175.0° |
| FAF | CAL | CAM | H4 | 68.4° | 55.0° |
| H1 | CAL | CAM | H3 | 172.4° | 65.0° |
| H1 | CAL | CAM | H4 | 51.1° | 175.0° |
| H2 | CAL | CAM | H3 | 66.5° | 55.0° |
| H2 | CAL | CAM | H4 | 172.2° | 65.0° |
| H6 | CAB | H7 | H8 | 120.0° | 120.0° |
| H9 | CAH | CAG | H10 | 0.7° | 0.1° |
| H11 | CAN | CAK | H13 | 61.3° | 180.0° |
| H11 | CAN | CAK | H14 | 58.9° | 60.0° |
| H12 | CAN | CAK | H13 | 59.7° | 60.0° |
| H12 | CAN | CAK | H14 | 180.0° | 179.9° |
| H13 | CAK | CAA | H15 | 60.1° | 60.0° |
| H13 | CAK | CAA | H16 | 179.9° | 60.0° |
| H13 | CAK | CAA | H17 | 59.9° | NaN° |
| H14 | CAK | CAA | H15 | 60.1° | 180.0° |
| H14 | CAK | CAA | H16 | 59.9° | 60.0° |
| H14 | CAK | CAA | H17 | 179.9° | 60.0° |
| H15 | CAA | H16 | H17 | 120.0° | 120.0° |
| H18 | CBE | CAC | H19 | 57.6° | 180.0° |
| H18 | CBE | CAC | H20 | 62.4° | 60.0° |
| H18 | CBE | CAC | H21 | 177.6° | 60.0° |
| H19 | CAC | H20 | H21 | 120.0° | 120.1° |
