YL5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAU | PAA | doub | 1.48Å | 1.48Å | |
| OAE | PAA | sing | 1.61Å | 1.49Å | |
| N1 | C2 | doub | 1.31Å | 1.40Å | Aromatic |
| N1 | C6 | sing | 1.34Å | 1.35Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.40Å | Aromatic |
| SAN | C6 | sing | 1.76Å | 1.70Å | Aromatic |
| SAN | CAM | sing | 1.75Å | 1.67Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.37Å | Aromatic |
| PAA | CAC | sing | 1.82Å | 1.90Å | |
| PAA | OAD | sing | 1.61Å | 1.67Å | |
| N3 | C4 | doub | 1.32Å | 1.36Å | Aromatic |
| C5 | C4 | sing | 1.42Å | 1.37Å | Aromatic |
| C5 | CAL | sing | 1.45Å | 1.38Å | Aromatic |
| C4 | NAB | sing | 1.38Å | 1.36Å | |
| CAM | CAL | doub | 1.33Å | 1.37Å | Aromatic |
| CAM | CAO | sing | 1.48Å | 1.37Å | |
| CAP | CAO | doub | 1.40Å | 1.41Å | Aromatic |
| CAP | CAQ | sing | 1.38Å | 1.39Å | Aromatic |
| CAO | CAT | sing | 1.39Å | 1.41Å | Aromatic |
| CAQ | CAR | doub | 1.38Å | 1.39Å | Aromatic |
| CAT | CAS | doub | 1.38Å | 1.39Å | Aromatic |
| CAR | CAS | sing | 1.38Å | 1.39Å | Aromatic |
| CAR | CAW | sing | 1.51Å | 1.40Å | |
| NAB | CAC | sing | 1.47Å | 1.50Å | |
| CAC | CAV | sing | 1.53Å | 1.57Å | |
| CAV | CAX | sing | 1.51Å | 1.38Å | |
| CAY | CAX | doub | 1.38Å | 1.39Å | Aromatic |
| CAY | CAZ | sing | 1.38Å | 1.40Å | Aromatic |
| CAX | CBC | sing | 1.38Å | 1.41Å | Aromatic |
| FBD | CAZ | sing | 1.35Å | 1.27Å | |
| CAZ | CBA | doub | 1.38Å | 1.41Å | Aromatic |
| CBC | CBB | doub | 1.38Å | 1.40Å | Aromatic |
| CBA | CBB | sing | 1.38Å | 1.39Å | Aromatic |
| CAY | H1 | sing | 1.08Å | 1.08Å | |
| CBA | H2 | sing | 1.08Å | 1.08Å | |
| CBB | H3 | sing | 1.08Å | 1.08Å | |
| CBC | H4 | sing | 1.08Å | 1.08Å | |
| CAV | H5 | sing | 1.09Å | 1.10Å | |
| CAV | H6 | sing | 1.09Å | 1.10Å | |
| CAC | H7 | sing | 1.09Å | 1.10Å | |
| OAD | H8 | sing | 0.97Å | 0.95Å | |
| OAE | H9 | sing | 0.97Å | 0.95Å | |
| NAB | H10 | sing | 0.97Å | 1.00Å | |
| C2 | H11 | sing | 1.08Å | 1.08Å | |
| CAL | H12 | sing | 1.08Å | 1.08Å | |
| CAP | H13 | sing | 1.08Å | 1.08Å | |
| CAQ | H14 | sing | 1.08Å | 1.08Å | |
| CAW | H15 | sing | 1.09Å | 1.10Å | |
| CAW | H16 | sing | 1.09Å | 1.10Å | |
| CAW | H17 | sing | 1.09Å | 1.10Å | |
| CAS | H18 | sing | 1.08Å | 1.08Å | |
| CAT | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAU | PAA | OAE | 115.9° | 109.5° |
| OAU | PAA | CAC | 110.2° | 109.5° |
| OAU | PAA | OAD | 111.4° | 109.5° |
| OAE | PAA | CAC | 106.7° | 109.4° |
| OAE | PAA | OAD | 109.5° | 109.5° |
| PAA | OAE | H9 | 109.5° | 114.1° |
| C2 | N1 | C6 | 120.0° | 121.1° |
| N1 | C2 | N3 | 117.2° | 122.2° |
| N1 | C2 | H11 | 121.4° | 118.9° |
| N1 | C6 | SAN | 128.9° | 131.2° |
| N1 | C6 | C5 | 122.9° | 119.1° |
| C2 | N3 | C4 | 120.7° | 121.2° |
| N3 | C2 | H11 | 121.4° | 118.9° |
| C6 | SAN | CAM | 96.2° | 92.3° |
| SAN | C6 | C5 | 108.2° | 109.8° |
| SAN | CAM | CAL | 106.5° | 111.2° |
| SAN | CAM | CAO | 123.9° | 124.4° |
| C6 | C5 | C4 | 117.3° | 117.5° |
| C6 | C5 | CAL | 112.2° | 112.1° |
| CAC | PAA | OAD | 102.1° | 109.5° |
| PAA | CAC | NAB | 109.3° | 109.5° |
| PAA | CAC | CAV | 110.8° | 109.5° |
| PAA | CAC | H7 | 104.9° | 109.5° |
| PAA | OAD | H8 | 109.5° | 113.9° |
| N3 | C4 | C5 | 122.0° | 118.9° |
| N3 | C4 | NAB | 118.9° | 120.6° |
| C4 | C5 | CAL | 130.5° | 130.4° |
| C5 | C4 | NAB | 119.1° | 120.5° |
| C5 | CAL | CAM | 116.9° | 114.6° |
| C5 | CAL | H12 | 121.6° | 122.7° |
| C4 | NAB | CAC | 122.6° | 120.0° |
| C4 | NAB | H10 | 106.1° | 120.0° |
| CAL | CAM | CAO | 129.5° | 124.4° |
| CAM | CAL | H12 | 121.6° | 122.7° |
| CAM | CAO | CAP | 122.2° | 120.1° |
| CAM | CAO | CAT | 120.8° | 120.2° |
| CAO | CAP | CAQ | 120.9° | 119.9° |
| CAP | CAO | CAT | 116.9° | 119.7° |
| CAO | CAP | H13 | 119.6° | 120.0° |
| CAP | CAQ | CAR | 121.2° | 120.2° |
| CAQ | CAP | H13 | 119.6° | 120.1° |
| CAP | CAQ | H14 | 119.4° | 119.9° |
| CAO | CAT | CAS | 121.6° | 119.9° |
| CAO | CAT | H19 | 119.2° | 120.1° |
| CAQ | CAR | CAS | 118.8° | 120.3° |
| CAQ | CAR | CAW | 120.0° | 119.9° |
| CAR | CAQ | H14 | 119.4° | 119.9° |
| CAT | CAS | CAR | 120.5° | 120.2° |
| CAT | CAS | H18 | 119.7° | 119.9° |
| CAS | CAT | H19 | 119.2° | 120.1° |
| CAS | CAR | CAW | 121.1° | 119.9° |
| CAR | CAS | H18 | 119.8° | 119.9° |
| CAR | CAW | H15 | 109.5° | 109.5° |
| CAR | CAW | H16 | 109.4° | 109.5° |
| CAR | CAW | H17 | 109.5° | 109.5° |
| NAB | CAC | CAV | 114.3° | 109.4° |
| NAB | CAC | H7 | 109.0° | 109.5° |
| CAC | NAB | H10 | 106.1° | 120.0° |
| CAC | CAV | CAX | 109.3° | 109.4° |
| CAC | CAV | H5 | 109.5° | 109.4° |
| CAC | CAV | H6 | 109.5° | 109.5° |
| CAV | CAC | H7 | 108.1° | 109.5° |
| CAV | CAX | CAY | 119.3° | 120.0° |
| CAV | CAX | CBC | 121.5° | 120.0° |
| CAX | CAV | H5 | 109.5° | 109.4° |
| CAX | CAV | H6 | 109.5° | 109.5° |
| CAX | CAY | CAZ | 118.8° | 120.0° |
| CAY | CAX | CBC | 119.2° | 120.0° |
| CAX | CAY | H1 | 120.6° | 120.0° |
| CAY | CAZ | FBD | 117.7° | 120.0° |
| CAY | CAZ | CBA | 122.0° | 120.0° |
| CAZ | CAY | H1 | 120.6° | 120.0° |
| CAX | CBC | CBB | 121.9° | 120.0° |
| CAX | CBC | H4 | 119.1° | 120.0° |
| FBD | CAZ | CBA | 120.3° | 120.0° |
| CAZ | CBA | CBB | 119.3° | 119.9° |
| CAZ | CBA | H2 | 120.3° | 120.1° |
| CBC | CBB | CBA | 118.7° | 120.1° |
| CBC | CBB | H3 | 120.7° | 120.0° |
| CBB | CBC | H4 | 119.0° | 119.9° |
| CBB | CBA | H2 | 120.3° | 120.0° |
| CBA | CBB | H3 | 120.6° | 119.9° |
| H5 | CAV | H6 | 109.5° | 109.5° |
| H15 | CAW | H16 | 109.5° | 109.5° |
| H15 | CAW | H17 | 109.5° | 109.5° |
| H16 | CAW | H17 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAU | PAA | OAE | CAC | 123.1° | 120.0° |
| OAU | PAA | OAE | OAD | 127.2° | 120.1° |
| OAU | PAA | CAC | OAD | 118.5° | 120.0° |
| OAU | PAA | CAC | NAB | 27.4° | 65.1° |
| OAU | PAA | CAC | CAV | 154.2° | 54.9° |
| OAU | PAA | CAC | H7 | 89.4° | 174.9° |
| OAU | PAA | OAD | H8 | 0.0° | 64.8° |
| OAU | PAA | OAE | H9 | 0.0° | 60.0° |
| OAE | PAA | CAC | OAD | 114.9° | 120.0° |
| OAE | PAA | CAC | NAB | 154.0° | 54.9° |
| OAE | PAA | CAC | CAV | 79.2° | 174.9° |
| OAE | PAA | CAC | H7 | 37.2° | 65.1° |
| OAE | PAA | OAD | H8 | 129.7° | 175.1° |
| N1 | C2 | N3 | H11 | 180.0° | 179.9° |
| C2 | N1 | C6 | SAN | 179.5° | 180.0° |
| C2 | N1 | C6 | C5 | 0.5° | 0.4° |
| N1 | C2 | N3 | C4 | 0.3° | 0.0° |
| C6 | N1 | C2 | N3 | 0.1° | 0.1° |
| N1 | C6 | SAN | C5 | 180.0° | 179.7° |
| N1 | C6 | SAN | CAM | 179.1° | 179.9° |
| N1 | C6 | C5 | C4 | 0.9° | 0.6° |
| N1 | C6 | C5 | CAL | 179.6° | 179.9° |
| C6 | N1 | C2 | H11 | 179.9° | 180.0° |
| C2 | N3 | C4 | C5 | 0.1° | 0.3° |
| C2 | N3 | C4 | NAB | 179.0° | 180.0° |
| SAN | C6 | C5 | C4 | 179.1° | 179.7° |
| SAN | C6 | C5 | CAL | 0.3° | 0.2° |
| C6 | SAN | CAM | CAL | 1.2° | 0.2° |
| C6 | SAN | CAM | CAO | 177.8° | 180.0° |
| CAM | SAN | C6 | C5 | 0.9° | 0.3° |
| SAN | CAM | CAL | C5 | 1.3° | 0.1° |
| SAN | CAM | CAL | CAO | 176.3° | 179.8° |
| SAN | CAM | CAO | CAP | 161.1° | 179.7° |
| SAN | CAM | CAO | CAT | 14.6° | 0.1° |
| SAN | CAM | CAL | H12 | 178.7° | 179.7° |
| C6 | C5 | C4 | N3 | 0.7° | 0.6° |
| C6 | C5 | C4 | CAL | 179.3° | 179.4° |
| C6 | C5 | C4 | NAB | 179.6° | 179.7° |
| C6 | C5 | CAL | CAM | 0.6° | 0.1° |
| C6 | C5 | CAL | H12 | 179.4° | 179.9° |
| PAA | CAC | NAB | C4 | 142.2° | 105.0° |
| PAA | CAC | NAB | CAV | 124.8° | 120.0° |
| PAA | CAC | NAB | H7 | 114.1° | 120.0° |
| PAA | CAC | CAV | H7 | 114.5° | 120.0° |
| PAA | CAC | CAV | CAX | 169.1° | 174.9° |
| PAA | CAC | CAV | H5 | 49.2° | 55.0° |
| PAA | CAC | CAV | H6 | 70.9° | 65.1° |
| CAC | PAA | OAD | H8 | 117.5° | 55.2° |
| CAC | PAA | OAE | H9 | 123.1° | 60.0° |
| PAA | CAC | NAB | H10 | 96.0° | 74.9° |
| OAD | PAA | CAC | NAB | 91.1° | 174.9° |
| OAD | PAA | CAC | CAV | 35.7° | 65.1° |
| OAD | PAA | CAC | H7 | 152.1° | 54.9° |
| OAD | PAA | OAE | H9 | 127.2° | 180.0° |
| N3 | C4 | C5 | NAB | 178.9° | 179.7° |
| N3 | C4 | C5 | CAL | 180.0° | 179.9° |
| N3 | C4 | NAB | CAC | 1.1° | 0.0° |
| N3 | C4 | NAB | H10 | 120.7° | 180.0° |
| C4 | N3 | C2 | H11 | 179.7° | 180.0° |
| C4 | C5 | CAL | CAM | 179.9° | 179.5° |
| C5 | C4 | NAB | CAC | 180.0° | 179.7° |
| C5 | C4 | NAB | H10 | 58.2° | 0.3° |
| C4 | C5 | CAL | H12 | 0.0° | 0.7° |
| CAL | C5 | C4 | NAB | 1.1° | 0.4° |
| C5 | CAL | CAM | H12 | 180.0° | 179.9° |
| C5 | CAL | CAM | CAO | 177.5° | 179.9° |
| C4 | NAB | CAC | H10 | 121.8° | 179.9° |
| C4 | NAB | CAC | CAV | 93.0° | 135.0° |
| C4 | NAB | CAC | H7 | 28.0° | 15.0° |
| CAL | CAM | CAO | CAP | 14.6° | 0.5° |
| CAL | CAM | CAO | CAT | 169.7° | 179.7° |
| CAM | CAO | CAP | CAT | 175.9° | 179.8° |
| CAM | CAO | CAP | CAQ | 177.3° | 180.0° |
| CAM | CAO | CAT | CAS | 177.8° | 179.7° |
| CAO | CAM | CAL | H12 | 2.5° | 0.1° |
| CAM | CAO | CAP | H13 | 2.7° | 0.1° |
| CAM | CAO | CAT | H19 | 2.2° | 0.1° |
| CAO | CAP | CAQ | H13 | 180.0° | 179.9° |
| CAO | CAP | CAQ | CAR | 0.1° | 0.1° |
| CAP | CAO | CAT | CAS | 1.8° | 0.5° |
| CAO | CAP | CAQ | H14 | 179.9° | 180.0° |
| CAP | CAO | CAT | H19 | 178.2° | 179.7° |
| CAQ | CAP | CAO | CAT | 1.4° | 0.2° |
| CAP | CAQ | CAR | H14 | 180.0° | 179.9° |
| CAP | CAQ | CAR | CAS | 0.8° | 0.1° |
| CAP | CAQ | CAR | CAW | 179.8° | 180.0° |
| CAO | CAT | CAS | H19 | 180.0° | 179.8° |
| CAO | CAT | CAS | CAR | 1.0° | 0.5° |
| CAT | CAO | CAP | H13 | 178.6° | 179.8° |
| CAO | CAT | CAS | H18 | 179.0° | 179.7° |
| CAQ | CAR | CAS | CAT | 0.4° | 0.2° |
| CAQ | CAR | CAS | CAW | 179.4° | 179.9° |
| CAR | CAQ | CAP | H13 | 179.9° | 180.0° |
| CAQ | CAR | CAW | H15 | 90.3° | 90.0° |
| CAQ | CAR | CAW | H16 | 149.7° | 150.0° |
| CAQ | CAR | CAW | H17 | 29.7° | 30.1° |
| CAQ | CAR | CAS | H18 | 179.7° | 180.0° |
| CAT | CAS | CAR | H18 | 180.0° | 179.7° |
| CAT | CAS | CAR | CAW | 179.8° | 179.7° |
| CAS | CAR | CAQ | H14 | 179.2° | 180.0° |
| CAS | CAR | CAW | H15 | 90.3° | 90.0° |
| CAS | CAR | CAW | H16 | 29.7° | 30.1° |
| CAS | CAR | CAW | H17 | 149.7° | 150.0° |
| CAR | CAS | CAT | H19 | 179.0° | 179.7° |
| CAW | CAR | CAQ | H14 | 0.2° | 0.1° |
| CAR | CAW | H15 | H16 | 120.0° | 120.1° |
| CAR | CAW | H15 | H17 | 120.0° | 120.0° |
| CAR | CAW | H16 | H17 | 120.0° | 120.0° |
| CAW | CAR | CAS | H18 | 0.3° | 0.0° |
| NAB | CAC | CAV | H7 | 121.5° | 120.0° |
| NAB | CAC | CAV | CAX | 45.1° | 65.1° |
| NAB | CAC | CAV | H5 | 74.9° | 175.0° |
| NAB | CAC | CAV | H6 | 165.1° | 54.9° |
| CAC | CAV | CAX | H5 | 120.0° | 119.9° |
| CAC | CAV | CAX | H6 | 120.0° | 120.0° |
| CAC | CAV | CAX | CAY | 94.7° | 86.3° |
| CAC | CAV | CAX | CBC | 85.4° | 93.9° |
| CAC | CAV | H5 | H6 | 120.1° | 120.0° |
| CAV | CAC | NAB | H10 | 28.8° | 45.1° |
| CAV | CAX | CAY | CBC | 179.9° | 179.9° |
| CAV | CAX | CAY | CAZ | 179.4° | 179.9° |
| CAV | CAX | CBC | CBB | 179.0° | 180.0° |
| CAV | CAX | CAY | H1 | 0.6° | 0.2° |
| CAV | CAX | CBC | H4 | 1.0° | 0.1° |
| CAX | CAV | H5 | H6 | 120.1° | 120.0° |
| CAX | CAV | CAC | H7 | 76.4° | 54.9° |
| CAX | CAY | CAZ | H1 | 180.0° | 179.8° |
| CAX | CAY | CAZ | FBD | 179.4° | 180.0° |
| CAX | CAY | CAZ | CBA | 0.0° | 0.0° |
| CAY | CAX | CBC | CBB | 1.1° | 0.1° |
| CAY | CAX | CBC | H4 | 178.9° | 180.0° |
| CAY | CAX | CAV | H5 | 145.4° | 153.8° |
| CAY | CAX | CAV | H6 | 25.3° | 33.8° |
| CAZ | CAY | CAX | CBC | 0.7° | 0.0° |
| CAY | CAZ | FBD | CBA | 179.4° | 180.0° |
| CAY | CAZ | CBA | CBB | 0.3° | 0.0° |
| CAY | CAZ | CBA | H2 | 179.7° | 180.0° |
| CAX | CBC | CBB | H4 | 180.0° | 180.0° |
| CAX | CBC | CBB | CBA | 0.8° | 0.0° |
| CBC | CAX | CAY | H1 | 179.3° | 179.7° |
| CAX | CBC | CBB | H3 | 179.2° | 180.0° |
| CBC | CAX | CAV | H5 | 34.5° | 26.1° |
| CBC | CAX | CAV | H6 | 154.6° | 146.1° |
| FBD | CAZ | CBA | CBB | 179.6° | 180.0° |
| FBD | CAZ | CAY | H1 | 0.7° | 0.3° |
| FBD | CAZ | CBA | H2 | 0.4° | 0.0° |
| CAZ | CBA | CBB | CBC | 0.1° | 0.0° |
| CAZ | CBA | CBB | H2 | 180.0° | 180.0° |
| CBA | CAZ | CAY | H1 | 180.0° | 179.8° |
| CAZ | CBA | CBB | H3 | 179.9° | 180.0° |
| CBC | CBB | CBA | H3 | 180.0° | 180.0° |
| CBC | CBB | CBA | H2 | 179.9° | 180.0° |
| CBA | CBB | CBC | H4 | 179.2° | 180.0° |
| H2 | CBA | CBB | H3 | 0.1° | 0.0° |
| H3 | CBB | CBC | H4 | 0.8° | 0.0° |
| H5 | CAV | CAC | H7 | 163.6° | 65.1° |
| H6 | CAV | CAC | H7 | 43.6° | 174.9° |
| H7 | CAC | NAB | H10 | 149.8° | 165.0° |
| H13 | CAP | CAQ | H14 | 0.1° | 0.0° |
| H15 | CAW | H16 | H17 | 120.0° | 119.9° |
| H18 | CAS | CAT | H19 | 1.0° | 0.1° |
