YGP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAB | CAV | sing | 1.51Å | 1.44Å | |
| OAD | CAX | doub | 1.22Å | 1.24Å | |
| CAV | CAX | sing | 1.40Å | 1.43Å | |
| CAV | CAW | doub | 1.38Å | 1.40Å | |
| CAX | NAO | sing | 1.35Å | 1.40Å | |
| OAF | PBG | doub | 1.48Å | 1.47Å | |
| OAR | CAW | sing | 1.35Å | 1.37Å | |
| OAR | PBG | sing | 1.61Å | 1.65Å | |
| CAW | CAK | sing | 1.41Å | 1.41Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C5' | O5' | sing | 1.43Å | 1.45Å | |
| PBG | O5' | sing | 1.61Å | 1.61Å | |
| PBG | OAI | sing | 1.61Å | 1.55Å | |
| NAO | CAT | sing | 1.36Å | 1.43Å | |
| C4' | O4' | sing | 1.44Å | 1.46Å | |
| C4' | C3' | sing | 1.55Å | 1.53Å | |
| CAK | CAT | doub | 1.35Å | 1.40Å | |
| O3' | C3' | sing | 1.43Å | 1.44Å | |
| CAT | CAA | sing | 1.51Å | 1.40Å | |
| O4' | C1' | sing | 1.44Å | 1.48Å | |
| C3' | C2' | sing | 1.55Å | 1.51Å | |
| O2' | C2' | sing | 1.43Å | 1.40Å | |
| C2' | C1' | sing | 1.54Å | 1.53Å | |
| C1' | N9 | sing | 1.46Å | 1.51Å | |
| C8 | N9 | sing | 1.36Å | 1.35Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.33Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.32Å | Aromatic |
| N7 | C5 | sing | 1.36Å | 1.35Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.36Å | Aromatic |
| C4 | N3 | sing | 1.34Å | 1.34Å | |
| C5 | C6 | sing | 1.42Å | 1.34Å | |
| N3 | C2 | doub | 1.31Å | 1.36Å | |
| C6 | O6 | doub | 1.22Å | 1.22Å | |
| C6 | N1 | sing | 1.35Å | 1.42Å | |
| C2 | N1 | sing | 1.36Å | 1.41Å | |
| C2 | N2 | sing | 1.37Å | 1.33Å | |
| N2 | H1 | sing | 0.97Å | 1.00Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| N1 | H3 | sing | 0.97Å | 1.00Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C1' | H5 | sing | 1.09Å | 1.10Å | |
| C2' | H6 | sing | 1.09Å | 1.10Å | |
| O2' | H7 | sing | 0.97Å | 0.95Å | |
| C3' | H8 | sing | 1.09Å | 1.10Å | |
| O3' | H9 | sing | 0.97Å | 0.95Å | |
| C4' | H10 | sing | 1.09Å | 1.10Å | |
| C5' | H11 | sing | 1.09Å | 1.10Å | |
| C5' | H12 | sing | 1.09Å | 1.10Å | |
| OAI | H13 | sing | 0.97Å | 0.95Å | |
| CAK | H14 | sing | 1.08Å | 1.08Å | |
| CAA | H16 | sing | 1.09Å | 1.10Å | |
| CAA | H17 | sing | 1.09Å | 1.10Å | |
| CAA | H18 | sing | 1.09Å | 1.10Å | |
| CAB | H19 | sing | 1.09Å | 1.10Å | |
| CAB | H20 | sing | 1.09Å | 1.10Å | |
| CAB | H21 | sing | 1.09Å | 1.10Å | |
| NAO | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CAV | CAX | 123.5° | 120.4° |
| CAB | CAV | CAW | 117.8° | 120.4° |
| CAV | CAB | H19 | 109.5° | 109.5° |
| CAV | CAB | H20 | 109.5° | 109.5° |
| CAV | CAB | H21 | 109.5° | 109.5° |
| OAD | CAX | CAV | 122.9° | 119.9° |
| OAD | CAX | NAO | 117.5° | 119.9° |
| CAX | CAV | CAW | 118.8° | 119.1° |
| CAV | CAX | NAO | 119.6° | 120.1° |
| CAV | CAW | OAR | 114.0° | 120.5° |
| CAV | CAW | CAK | 121.8° | 119.0° |
| CAX | NAO | CAT | 121.3° | 121.1° |
| CAX | NAO | H15 | 119.4° | 119.5° |
| OAF | PBG | OAR | 111.3° | 109.5° |
| OAF | PBG | O5' | 112.8° | 109.5° |
| OAF | PBG | OAI | 110.2° | 109.5° |
| CAW | OAR | PBG | 127.8° | 114.0° |
| OAR | CAW | CAK | 124.2° | 120.5° |
| OAR | PBG | O5' | 105.2° | 109.4° |
| OAR | PBG | OAI | 107.2° | 109.5° |
| CAW | CAK | CAT | 120.2° | 119.8° |
| CAW | CAK | H14 | 119.9° | 120.1° |
| C4' | C5' | O5' | 110.2° | 109.4° |
| C5' | C4' | O4' | 107.8° | 110.4° |
| C5' | C4' | C3' | 107.5° | 110.4° |
| C5' | C4' | H10 | 111.9° | 110.4° |
| C4' | C5' | H11 | 109.3° | 109.4° |
| C4' | C5' | H12 | 109.3° | 109.5° |
| C5' | O5' | PBG | 117.5° | 123.0° |
| O5' | C5' | H11 | 109.3° | 109.5° |
| O5' | C5' | H12 | 109.3° | 109.5° |
| O5' | PBG | OAI | 110.0° | 109.4° |
| PBG | OAI | H13 | 109.5° | 114.0° |
| NAO | CAT | CAK | 118.3° | 120.9° |
| NAO | CAT | CAA | 120.0° | 119.6° |
| CAT | NAO | H15 | 119.4° | 119.4° |
| O4' | C4' | C3' | 104.9° | 104.8° |
| C4' | O4' | C1' | 107.9° | 105.3° |
| O4' | C4' | H10 | 112.7° | 110.4° |
| C4' | C3' | O3' | 110.7° | 110.6° |
| C4' | C3' | C2' | 102.7° | 104.0° |
| C4' | C3' | H8 | 109.8° | 110.6° |
| C3' | C4' | H10 | 111.6° | 110.3° |
| CAK | CAT | CAA | 121.7° | 119.5° |
| CAT | CAK | H14 | 119.9° | 120.1° |
| O3' | C3' | C2' | 111.8° | 110.5° |
| O3' | C3' | H8 | 111.2° | 110.4° |
| C3' | O3' | H9 | 109.5° | 114.0° |
| CAT | CAA | H16 | 109.5° | 109.4° |
| CAT | CAA | H17 | 109.5° | 109.4° |
| CAT | CAA | H18 | 109.5° | 109.5° |
| O4' | C1' | C2' | 106.6° | 104.9° |
| O4' | C1' | N9 | 113.0° | 110.4° |
| O4' | C1' | H5 | 110.2° | 110.4° |
| C3' | C2' | O2' | 110.3° | 110.6° |
| C3' | C2' | C1' | 101.9° | 104.1° |
| C3' | C2' | H6 | 111.1° | 110.5° |
| C2' | C3' | H8 | 110.2° | 110.5° |
| O2' | C2' | C1' | 109.4° | 110.5° |
| O2' | C2' | H6 | 112.8° | 110.4° |
| C2' | O2' | H7 | 109.5° | 114.0° |
| C2' | C1' | N9 | 107.5° | 110.4° |
| C2' | C1' | H5 | 109.6° | 110.4° |
| C1' | C2' | H6 | 110.7° | 110.5° |
| C1' | N9 | C8 | 128.5° | 126.3° |
| C1' | N9 | C4 | 123.5° | 126.2° |
| N9 | C1' | H5 | 109.8° | 110.4° |
| N9 | C8 | N7 | 109.7° | 109.9° |
| C8 | N9 | C4 | 108.0° | 107.5° |
| N9 | C8 | H4 | 125.2° | 125.1° |
| C8 | N7 | C5 | 105.6° | 109.3° |
| N7 | C8 | H4 | 125.1° | 125.0° |
| N9 | C4 | C5 | 107.2° | 106.1° |
| N9 | C4 | N3 | 130.6° | 134.2° |
| N7 | C5 | C4 | 109.4° | 107.3° |
| N7 | C5 | C6 | 131.3° | 134.1° |
| C5 | C4 | N3 | 122.2° | 119.7° |
| C4 | C5 | C6 | 119.3° | 118.6° |
| C4 | N3 | C2 | 121.1° | 121.1° |
| C5 | C6 | O6 | 120.6° | 120.9° |
| C5 | C6 | N1 | 120.8° | 118.3° |
| N3 | C2 | N1 | 118.8° | 121.9° |
| N3 | C2 | N2 | 122.2° | 119.0° |
| O6 | C6 | N1 | 118.7° | 120.8° |
| C6 | N1 | C2 | 117.8° | 120.4° |
| C6 | N1 | H3 | 121.1° | 119.8° |
| N1 | C2 | N2 | 119.0° | 119.1° |
| C2 | N1 | H3 | 121.1° | 119.8° |
| C2 | N2 | H1 | 120.0° | 120.0° |
| C2 | N2 | H2 | 120.0° | 120.0° |
| H1 | N2 | H2 | 120.0° | 120.0° |
| H11 | C5' | H12 | 109.5° | 109.5° |
| H16 | CAA | H17 | 109.5° | 109.5° |
| H16 | CAA | H18 | 109.5° | 109.5° |
| H17 | CAA | H18 | 109.5° | 109.5° |
| H19 | CAB | H20 | 109.5° | 109.4° |
| H19 | CAB | H21 | 109.4° | 109.4° |
| H20 | CAB | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CAV | CAX | OAD | 1.0° | 0.3° |
| CAB | CAV | CAX | CAW | 179.5° | 179.5° |
| CAB | CAV | CAX | NAO | 179.9° | 180.0° |
| CAB | CAV | CAW | OAR | 1.3° | 0.3° |
| CAB | CAV | CAW | CAK | 179.4° | 180.0° |
| CAV | CAB | H19 | H20 | 120.0° | 120.0° |
| CAV | CAB | H19 | H21 | 120.0° | 120.0° |
| CAV | CAB | H20 | H21 | 120.0° | 120.1° |
| OAD | CAX | CAV | NAO | 179.1° | 179.7° |
| OAD | CAX | CAV | CAW | 179.5° | 179.8° |
| OAD | CAX | NAO | CAT | 179.9° | 180.0° |
| OAD | CAX | NAO | H15 | 0.0° | 0.1° |
| CAX | CAV | CAW | OAR | 179.2° | 179.8° |
| CAX | CAV | CAW | CAK | 1.1° | 0.6° |
| CAV | CAX | NAO | CAT | 0.8° | 0.3° |
| CAX | CAV | CAB | H19 | 180.0° | 5.0° |
| CAX | CAV | CAB | H20 | 60.0° | 114.9° |
| CAX | CAV | CAB | H21 | 60.0° | 125.0° |
| CAV | CAX | NAO | H15 | 179.2° | 179.7° |
| CAW | CAV | CAX | NAO | 0.4° | 0.6° |
| CAV | CAW | OAR | CAK | 178.1° | 179.7° |
| CAV | CAW | OAR | PBG | 135.7° | 114.5° |
| CAV | CAW | CAK | CAT | 2.1° | 0.3° |
| CAV | CAW | CAK | H14 | 177.9° | 179.7° |
| CAW | CAV | CAB | H19 | 0.5° | 174.4° |
| CAW | CAV | CAB | H20 | 120.6° | 65.6° |
| CAW | CAV | CAB | H21 | 119.5° | 54.5° |
| CAX | NAO | CAT | H15 | 180.0° | 180.0° |
| CAX | NAO | CAT | CAK | 1.8° | 0.0° |
| CAX | NAO | CAT | CAA | 179.2° | 180.0° |
| OAF | PBG | OAR | CAW | 168.3° | 54.3° |
| OAF | PBG | OAR | O5' | 122.5° | 120.0° |
| OAF | PBG | OAR | OAI | 120.5° | 120.0° |
| OAF | PBG | O5' | C5' | 66.5° | 55.0° |
| OAF | PBG | O5' | OAI | 123.4° | 120.0° |
| OAF | PBG | OAI | H13 | 0.0° | 174.8° |
| CAW | OAR | PBG | O5' | 45.8° | 174.4° |
| CAW | OAR | PBG | OAI | 71.2° | 65.7° |
| OAR | CAW | CAK | CAT | 180.0° | 180.0° |
| OAR | CAW | CAK | H14 | 0.0° | 0.1° |
| PBG | OAR | CAW | CAK | 46.2° | 65.8° |
| OAR | PBG | O5' | C5' | 54.9° | 175.0° |
| OAR | PBG | O5' | OAI | 115.1° | 120.0° |
| OAR | PBG | OAI | H13 | 121.2° | 65.2° |
| CAW | CAK | CAT | NAO | 2.4° | 0.1° |
| CAW | CAK | CAT | H14 | 180.0° | 179.9° |
| CAW | CAK | CAT | CAA | 178.6° | 180.0° |
| C4' | C5' | O5' | H11 | 120.1° | 120.0° |
| C4' | C5' | O5' | H12 | 120.1° | 120.0° |
| C4' | C5' | O5' | PBG | 178.9° | 180.0° |
| C5' | C4' | O4' | C3' | 114.3° | 118.9° |
| C5' | C4' | O4' | H10 | 124.0° | 122.4° |
| C5' | C4' | C3' | H10 | 123.1° | 122.3° |
| C5' | C4' | C3' | O3' | 89.7° | 98.5° |
| C5' | C4' | O4' | C1' | 132.6° | 159.3° |
| C5' | C4' | C3' | C2' | 150.8° | 142.8° |
| C5' | C4' | C3' | H8 | 33.5° | 24.2° |
| C4' | C5' | H11 | H12 | 119.6° | 120.0° |
| C5' | O5' | PBG | OAI | 170.0° | 65.0° |
| O5' | C5' | C4' | O4' | 66.5° | 66.5° |
| O5' | C5' | C4' | C3' | 46.0° | 178.1° |
| O5' | C5' | C4' | H10 | 169.0° | 55.9° |
| O5' | C5' | H11 | H12 | 119.7° | 120.0° |
| PBG | O5' | C5' | H11 | 61.0° | 60.0° |
| PBG | O5' | C5' | H12 | 58.8° | 60.1° |
| O5' | PBG | OAI | H13 | 124.9° | 54.8° |
| NAO | CAT | CAK | CAA | 179.0° | 180.0° |
| NAO | CAT | CAK | H14 | 177.6° | 180.0° |
| NAO | CAT | CAA | H16 | 180.0° | 90.0° |
| NAO | CAT | CAA | H17 | 60.0° | 30.0° |
| NAO | CAT | CAA | H18 | 60.0° | 150.0° |
| O4' | C4' | C3' | H10 | 122.4° | 118.8° |
| O4' | C4' | C3' | O3' | 155.8° | 142.6° |
| O4' | C4' | C3' | C2' | 36.3° | 24.0° |
| C4' | O4' | C1' | C2' | 6.4° | 40.5° |
| C4' | O4' | C1' | N9 | 111.4° | 159.3° |
| C4' | O4' | C1' | H5 | 125.2° | 78.4° |
| O4' | C4' | C3' | H8 | 81.0° | 94.7° |
| O4' | C4' | C5' | H11 | 53.6° | 173.5° |
| O4' | C4' | C5' | H12 | 173.3° | 53.5° |
| C4' | C3' | O3' | C2' | 113.9° | 114.6° |
| C4' | C3' | O3' | H8 | 122.4° | 122.8° |
| C3' | C4' | O4' | C1' | 18.3° | 40.5° |
| C4' | C3' | C2' | H8 | 117.0° | 118.7° |
| C4' | C3' | C2' | O2' | 77.0° | 118.7° |
| C4' | C3' | C2' | C1' | 39.1° | 0.0° |
| C4' | C3' | C2' | H6 | 157.1° | 118.7° |
| C4' | C3' | O3' | H9 | 180.0° | 176.2° |
| C3' | C4' | C5' | H11 | 166.1° | 58.1° |
| C3' | C4' | C5' | H12 | 74.1° | 61.9° |
| CAK | CAT | CAA | H16 | 1.0° | 90.0° |
| CAK | CAT | CAA | H17 | 121.0° | 150.1° |
| CAK | CAT | CAA | H18 | 119.0° | 30.0° |
| CAK | CAT | NAO | H15 | 178.2° | 180.0° |
| O3' | C3' | C2' | H8 | 124.3° | 122.5° |
| O3' | C3' | C2' | O2' | 41.7° | 0.1° |
| O3' | C3' | C2' | C1' | 157.8° | 118.8° |
| O3' | C3' | C2' | H6 | 84.2° | 122.6° |
| O3' | C3' | C4' | H10 | 33.4° | 23.8° |
| CAA | CAT | CAK | H14 | 1.3° | 0.0° |
| CAT | CAA | H16 | H17 | 120.0° | 119.9° |
| CAT | CAA | H16 | H18 | 120.0° | 120.0° |
| CAT | CAA | H17 | H18 | 120.0° | 120.0° |
| CAA | CAT | NAO | H15 | 0.8° | 0.0° |
| O4' | C1' | C2' | C3' | 28.7° | 23.9° |
| O4' | C1' | C2' | O2' | 88.1° | 142.7° |
| O4' | C1' | C2' | N9 | 121.4° | 118.9° |
| O4' | C1' | C2' | H5 | 119.3° | 118.9° |
| O4' | C1' | N9 | H5 | 123.6° | 122.3° |
| O4' | C1' | N9 | C8 | 9.8° | 22.0° |
| O4' | C1' | N9 | C4 | 170.5° | 158.4° |
| O4' | C1' | C2' | H6 | 147.0° | 94.8° |
| C1' | O4' | C4' | H10 | 103.4° | 78.3° |
| C3' | C2' | O2' | C1' | 111.4° | 114.8° |
| C3' | C2' | O2' | H6 | 124.9° | 122.6° |
| C3' | C2' | C1' | H6 | 118.3° | 118.7° |
| C3' | C2' | C1' | N9 | 92.7° | 142.8° |
| C3' | C2' | C1' | H5 | 148.0° | 95.0° |
| C3' | C2' | O2' | H7 | 180.0° | 65.3° |
| C2' | C3' | O3' | H9 | 66.1° | 61.5° |
| C2' | C3' | C4' | H10 | 86.1° | 94.8° |
| O2' | C2' | C1' | H6 | 124.9° | 122.5° |
| O2' | C2' | C1' | N9 | 150.5° | 98.4° |
| O2' | C2' | C1' | H5 | 31.2° | 23.8° |
| O2' | C2' | C3' | H8 | 166.0° | 122.6° |
| C2' | C1' | N9 | H5 | 119.1° | 122.3° |
| C2' | C1' | N9 | C8 | 107.5° | 93.5° |
| C2' | C1' | N9 | C4 | 72.2° | 86.1° |
| C1' | C2' | O2' | H7 | 68.6° | 180.0° |
| C1' | C2' | C3' | H8 | 77.9° | 118.7° |
| C1' | N9 | C8 | C4 | 179.7° | 179.6° |
| C1' | N9 | C8 | N7 | 179.6° | 180.0° |
| C1' | N9 | C4 | C5 | 178.4° | 179.9° |
| C1' | N9 | C4 | N3 | 0.2° | 0.3° |
| C1' | N9 | C8 | H4 | 0.4° | 0.4° |
| N9 | C1' | C2' | H6 | 25.6° | 24.1° |
| N9 | C8 | N7 | H4 | 180.0° | 179.6° |
| N9 | C8 | N7 | C5 | 1.1° | 0.2° |
| C8 | N9 | C4 | C5 | 1.3° | 0.4° |
| C8 | N9 | C4 | N3 | 179.9° | 179.9° |
| C8 | N9 | C1' | H5 | 133.4° | 144.3° |
| N7 | C8 | N9 | C4 | 0.1° | 0.4° |
| C8 | N7 | C5 | C4 | 1.9° | 0.1° |
| C8 | N7 | C5 | C6 | 179.6° | 179.6° |
| N9 | C4 | C5 | N7 | 2.1° | 0.3° |
| N9 | C4 | C5 | N3 | 178.8° | 179.7° |
| N9 | C4 | C5 | C6 | 179.9° | 179.9° |
| N9 | C4 | N3 | C2 | 179.3° | 179.7° |
| C4 | N9 | C8 | H4 | 179.8° | 180.0° |
| C4 | N9 | C1' | H5 | 47.0° | 36.1° |
| N7 | C5 | C4 | C6 | 178.0° | 179.6° |
| N7 | C5 | C4 | N3 | 179.2° | 180.0° |
| N7 | C5 | C6 | O6 | 1.3° | 0.5° |
| N7 | C5 | C6 | N1 | 179.3° | 179.9° |
| C5 | N7 | C8 | H4 | 178.9° | 179.8° |
| C5 | C4 | N3 | C2 | 0.8° | 0.1° |
| C4 | C5 | C6 | O6 | 178.7° | 180.0° |
| C4 | C5 | C6 | N1 | 1.8° | 0.6° |
| N3 | C4 | C5 | C6 | 1.2° | 0.3° |
| C4 | N3 | C2 | N1 | 1.1° | 0.0° |
| C4 | N3 | C2 | N2 | 179.3° | 179.7° |
| C5 | C6 | O6 | N1 | 179.4° | 179.4° |
| C5 | C6 | N1 | C2 | 2.1° | 0.6° |
| C5 | C6 | N1 | H3 | 177.9° | 179.4° |
| N3 | C2 | N1 | C6 | 1.7° | 0.3° |
| N3 | C2 | N1 | N2 | 178.3° | 179.7° |
| N3 | C2 | N2 | H1 | 0.0° | 179.7° |
| N3 | C2 | N2 | H2 | 180.0° | 0.3° |
| N3 | C2 | N1 | H3 | 178.3° | 179.7° |
| O6 | C6 | N1 | C2 | 178.4° | 180.0° |
| O6 | C6 | N1 | H3 | 1.6° | 0.0° |
| C6 | N1 | C2 | H3 | 180.0° | 180.0° |
| C6 | N1 | C2 | N2 | 180.0° | 180.0° |
| N1 | C2 | N2 | H1 | 178.2° | 0.0° |
| N1 | C2 | N2 | H2 | 1.8° | 180.0° |
| C2 | N2 | H1 | H2 | 180.0° | 179.9° |
| N2 | C2 | N1 | H3 | 0.0° | 0.0° |
| H5 | C1' | C2' | H6 | 93.7° | 146.4° |
| H6 | C2' | O2' | H7 | 55.1° | 57.4° |
| H6 | C2' | C3' | H8 | 40.1° | 0.0° |
| H8 | C3' | O3' | H9 | 57.6° | 61.1° |
| H8 | C3' | C4' | H10 | 156.6° | 146.5° |
| H10 | C4' | C5' | H11 | 70.9° | 64.1° |
| H10 | C4' | C5' | H12 | 48.8° | 175.9° |
| H16 | CAA | H17 | H18 | 120.0° | 120.1° |
| H19 | CAB | H20 | H21 | 120.0° | 120.0° |
