6WI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C6 | doub | 1.22Å | 1.25Å | |
| C6 | C5 | sing | 1.42Å | 1.34Å | |
| C6 | N1 | sing | 1.35Å | 1.39Å | |
| N7 | C5 | sing | 1.36Å | 1.37Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.34Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| N1 | C2 | sing | 1.36Å | 1.37Å | |
| O1A | PA | doub | 1.48Å | 1.46Å | |
| C8 | N9 | sing | 1.36Å | 1.37Å | Aromatic |
| O2' | C2' | sing | 1.43Å | 1.43Å | |
| C4 | N9 | sing | 1.37Å | 1.35Å | Aromatic |
| C4 | N3 | sing | 1.34Å | 1.34Å | |
| C2 | N3 | doub | 1.31Å | 1.31Å | |
| C2 | N2 | sing | 1.37Å | 1.32Å | |
| N9 | C1' | sing | 1.46Å | 1.46Å | |
| C2' | C1' | sing | 1.55Å | 1.53Å | |
| C2' | C3' | sing | 1.55Å | 1.49Å | |
| PA | O5' | sing | 1.61Å | 1.67Å | |
| PA | O2A | sing | 1.61Å | 1.52Å | |
| PA | O3A | sing | 1.61Å | 1.61Å | |
| C1' | O4' | sing | 1.44Å | 1.42Å | |
| O5' | C5' | sing | 1.43Å | 1.48Å | |
| O1B | PB | doub | 1.48Å | 1.48Å | |
| O3A | PB | sing | 1.61Å | 1.57Å | |
| C3' | O3' | sing | 1.43Å | 1.49Å | |
| C3' | C4' | sing | 1.54Å | 1.53Å | |
| O4' | C4' | sing | 1.44Å | 1.45Å | |
| PB | O2B | sing | 1.61Å | 1.55Å | |
| PB | O3B | sing | 1.61Å | 1.56Å | |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| O3B | CBE | sing | 1.43Å | 1.43Å | |
| CBE | CBC | sing | 1.53Å | 1.54Å | |
| CBC | OBD | sing | 1.43Å | 1.39Å | |
| CBC | CBD | sing | 1.51Å | 1.51Å | |
| CBD | OBF | doub | 1.21Å | 1.29Å | |
| CBD | OBG | sing | 1.34Å | 1.28Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N2 | HN21 | sing | 0.97Å | 1.00Å | |
| N2 | HN22 | sing | 0.97Å | 1.00Å | |
| OBG | HBG | sing | 0.97Å | 0.95Å | |
| CBC | HBC | sing | 1.09Å | 1.10Å | |
| OBD | HBD | sing | 0.97Å | 0.95Å | |
| CBE | HBF | sing | 1.09Å | 1.10Å | |
| CBE | HBE | sing | 1.09Å | 1.10Å | |
| O2B | HOB2 | sing | 0.97Å | 0.95Å | |
| O2A | HOA2 | sing | 0.97Å | 0.95Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C6 | C5 | 124.0° | 120.8° |
| O6 | C6 | N1 | 119.4° | 120.9° |
| C5 | C6 | N1 | 116.5° | 118.3° |
| C6 | C5 | N7 | 131.9° | 134.1° |
| C6 | C5 | C4 | 119.6° | 118.6° |
| C6 | N1 | C2 | 122.6° | 120.3° |
| C6 | N1 | HN1 | 118.7° | 119.8° |
| C5 | N7 | C8 | 106.0° | 109.3° |
| N7 | C5 | C4 | 108.5° | 107.3° |
| N7 | C8 | N9 | 110.9° | 109.8° |
| N7 | C8 | H8 | 124.5° | 125.1° |
| C5 | C4 | N9 | 107.4° | 106.1° |
| C5 | C4 | N3 | 122.5° | 119.7° |
| N1 | C2 | N3 | 119.5° | 121.9° |
| N1 | C2 | N2 | 118.3° | 119.0° |
| C2 | N1 | HN1 | 118.7° | 119.8° |
| O1A | PA | O5' | 106.2° | 109.5° |
| O1A | PA | O2A | 116.6° | 109.5° |
| O1A | PA | O3A | 117.6° | 109.5° |
| C8 | N9 | C4 | 107.2° | 107.5° |
| C8 | N9 | C1' | 129.0° | 126.3° |
| N9 | C8 | H8 | 124.6° | 125.1° |
| O2' | C2' | C1' | 110.7° | 110.9° |
| O2' | C2' | C3' | 110.3° | 111.0° |
| O2' | C2' | H2' | 112.0° | 110.8° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| N9 | C4 | N3 | 130.2° | 134.2° |
| C4 | N9 | C1' | 123.8° | 126.2° |
| C4 | N3 | C2 | 119.2° | 121.1° |
| N3 | C2 | N2 | 122.1° | 119.1° |
| C2 | N2 | HN21 | 120.0° | 120.0° |
| C2 | N2 | HN22 | 120.0° | 120.0° |
| N9 | C1' | C2' | 114.0° | 110.7° |
| N9 | C1' | O4' | 106.9° | 110.6° |
| N9 | C1' | H1' | 110.4° | 110.7° |
| C1' | C2' | C3' | 101.9° | 102.1° |
| C2' | C1' | O4' | 105.0° | 103.4° |
| C1' | C2' | H2' | 110.5° | 110.9° |
| C2' | C1' | H1' | 109.5° | 110.6° |
| C2' | C3' | O3' | 115.7° | 110.5° |
| C2' | C3' | C4' | 99.8° | 104.1° |
| C2' | C3' | H3' | 110.0° | 110.6° |
| C3' | C2' | H2' | 111.0° | 110.9° |
| O5' | PA | O2A | 105.8° | 109.4° |
| O5' | PA | O3A | 99.2° | 109.5° |
| PA | O5' | C5' | 113.8° | 123.0° |
| O2A | PA | O3A | 109.2° | 109.5° |
| PA | O2A | HOA2 | 109.5° | 114.0° |
| PA | O3A | PB | 124.3° | 134.0° |
| C1' | O4' | C4' | 106.2° | 107.0° |
| O4' | C1' | H1' | 111.0° | 110.6° |
| O5' | C5' | C4' | 112.8° | 109.5° |
| O5' | C5' | H5'' | 108.6° | 109.5° |
| O5' | C5' | H5' | 108.6° | 109.4° |
| O1B | PB | O3A | 114.2° | 109.5° |
| O1B | PB | O2B | 112.3° | 109.5° |
| O1B | PB | O3B | 107.0° | 109.5° |
| O3A | PB | O2B | 116.0° | 109.5° |
| O3A | PB | O3B | 101.6° | 109.5° |
| O3' | C3' | C4' | 111.2° | 110.5° |
| O3' | C3' | H3' | 110.1° | 110.5° |
| C3' | O3' | HO3' | 109.5° | 113.9° |
| C3' | C4' | O4' | 108.9° | 107.5° |
| C3' | C4' | C5' | 106.9° | 109.9° |
| C3' | C4' | H4' | 108.4° | 109.8° |
| C4' | C3' | H3' | 109.5° | 110.5° |
| O4' | C4' | C5' | 114.5° | 109.9° |
| O4' | C4' | H4' | 109.5° | 109.9° |
| O2B | PB | O3B | 104.2° | 109.5° |
| PB | O2B | HOB2 | 109.5° | 114.0° |
| PB | O3B | CBE | 121.8° | 123.0° |
| C4' | C5' | H5'' | 108.6° | 109.5° |
| C4' | C5' | H5' | 108.6° | 109.5° |
| C5' | C4' | H4' | 108.4° | 109.9° |
| O3B | CBE | CBC | 111.0° | 109.5° |
| O3B | CBE | HBF | 109.1° | 109.5° |
| O3B | CBE | HBE | 109.1° | 109.5° |
| CBE | CBC | OBD | 106.4° | 109.4° |
| CBE | CBC | CBD | 110.7° | 109.5° |
| CBE | CBC | HBC | 109.8° | 109.5° |
| CBC | CBE | HBF | 109.1° | 109.4° |
| CBC | CBE | HBE | 109.1° | 109.4° |
| OBD | CBC | CBD | 107.6° | 109.5° |
| OBD | CBC | HBC | 112.0° | 109.5° |
| CBC | OBD | HBD | 109.5° | 114.0° |
| CBC | CBD | OBF | 117.1° | 120.0° |
| CBC | CBD | OBG | 115.1° | 120.0° |
| CBD | CBC | HBC | 110.3° | 109.5° |
| OBF | CBD | OBG | 127.8° | 120.0° |
| CBD | OBG | HBG | 109.5° | 117.0° |
| HN21 | N2 | HN22 | 120.0° | 120.0° |
| HBF | CBE | HBE | 109.4° | 109.5° |
| H5'' | C5' | H5' | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6 | C5 | N1 | 177.0° | 180.0° |
| O6 | C6 | C5 | N7 | 0.3° | 0.1° |
| O6 | C6 | C5 | C4 | 178.6° | 180.0° |
| O6 | C6 | N1 | C2 | 179.2° | 180.0° |
| O6 | C6 | N1 | HN1 | 0.8° | 0.0° |
| C6 | C5 | N7 | C4 | 179.0° | 179.9° |
| C6 | C5 | N7 | C8 | 179.7° | 179.7° |
| C5 | C6 | N1 | C2 | 2.1° | 0.1° |
| C6 | C5 | C4 | N9 | 179.5° | 180.0° |
| C6 | C5 | C4 | N3 | 1.0° | 0.3° |
| C5 | C6 | N1 | HN1 | 177.9° | 180.0° |
| N1 | C6 | C5 | N7 | 177.3° | 180.0° |
| N1 | C6 | C5 | C4 | 1.6° | 0.0° |
| C6 | N1 | C2 | HN1 | 180.0° | 180.0° |
| C6 | N1 | C2 | N3 | 0.2° | 0.3° |
| C6 | N1 | C2 | N2 | 176.7° | 180.0° |
| C5 | N7 | C8 | N9 | 1.7° | 0.4° |
| N7 | C5 | C4 | N9 | 0.3° | 0.0° |
| N7 | C5 | C4 | N3 | 179.8° | 179.8° |
| C5 | N7 | C8 | H8 | 178.3° | 180.0° |
| C8 | N7 | C5 | C4 | 1.2° | 0.2° |
| N7 | C8 | N9 | H8 | 180.0° | 179.6° |
| N7 | C8 | N9 | C4 | 1.6° | 0.4° |
| N7 | C8 | N9 | C1' | 177.2° | 179.5° |
| C5 | C4 | N9 | C8 | 0.8° | 0.3° |
| C5 | C4 | N9 | N3 | 179.5° | 179.7° |
| C5 | C4 | N3 | C2 | 3.3° | 0.6° |
| C5 | C4 | N9 | C1' | 178.1° | 179.7° |
| N1 | C2 | N3 | C4 | 2.8° | 0.6° |
| N1 | C2 | N3 | N2 | 176.4° | 179.7° |
| N1 | C2 | N2 | HN21 | 176.4° | 0.0° |
| N1 | C2 | N2 | HN22 | 3.6° | 180.0° |
| O1A | PA | O5' | O2A | 124.5° | 120.0° |
| O1A | PA | O5' | O3A | 122.4° | 120.0° |
| O1A | PA | O2A | O3A | 136.3° | 120.0° |
| O1A | PA | O5' | C5' | 169.2° | 55.0° |
| O1A | PA | O3A | PB | 88.7° | 40.0° |
| O1A | PA | O2A | HOA2 | 0.0° | 180.0° |
| C8 | N9 | C4 | C1' | 178.8° | 180.0° |
| C8 | N9 | C4 | N3 | 178.8° | 179.9° |
| C8 | N9 | C1' | C2' | 52.9° | 95.0° |
| C8 | N9 | C1' | O4' | 62.6° | 19.1° |
| C8 | N9 | C1' | H1' | 176.6° | 142.0° |
| O2' | C2' | C1' | N9 | 84.2° | 86.2° |
| O2' | C2' | C1' | C3' | 117.3° | 118.3° |
| O2' | C2' | C1' | H2' | 124.6° | 123.5° |
| O2' | C2' | C3' | H2' | 124.8° | 123.6° |
| O2' | C2' | C1' | O4' | 159.2° | 155.2° |
| O2' | C2' | C3' | O3' | 37.1° | 20.5° |
| O2' | C2' | C3' | C4' | 156.5° | 139.1° |
| O2' | C2' | C3' | H3' | 88.4° | 102.2° |
| O2' | C2' | C1' | H1' | 39.9° | 36.8° |
| N9 | C4 | N3 | C2 | 177.2° | 179.8° |
| C4 | N9 | C1' | C2' | 128.5° | 85.0° |
| C4 | N9 | C1' | O4' | 116.0° | 161.0° |
| C4 | N9 | C8 | H8 | 178.4° | 180.0° |
| C4 | N9 | C1' | H1' | 4.9° | 38.0° |
| C4 | N3 | C2 | N2 | 179.2° | 179.7° |
| N3 | C4 | N9 | C1' | 2.4° | 0.0° |
| N3 | C2 | N1 | HN1 | 179.9° | 179.7° |
| N3 | C2 | N2 | HN21 | 0.0° | 179.7° |
| N3 | C2 | N2 | HN22 | 180.0° | 0.3° |
| N2 | C2 | N1 | HN1 | 3.4° | 0.0° |
| C2 | N2 | HN21 | HN22 | 179.9° | 179.9° |
| N9 | C1' | C2' | O4' | 116.6° | 118.5° |
| N9 | C1' | C2' | H1' | 124.2° | 123.1° |
| N9 | C1' | C2' | C3' | 158.4° | 155.5° |
| N9 | C1' | O4' | H1' | 120.5° | 123.0° |
| N9 | C1' | O4' | C4' | 146.9° | 158.5° |
| C1' | N9 | C8 | H8 | 2.8° | 0.0° |
| N9 | C1' | C2' | H2' | 40.4° | 37.3° |
| C1' | C2' | C3' | H2' | 117.6° | 118.2° |
| C2' | C1' | O4' | H1' | 118.2° | 118.5° |
| C1' | C2' | C3' | O3' | 80.4° | 97.7° |
| C1' | C2' | C3' | C4' | 38.9° | 20.9° |
| C2' | C1' | O4' | C4' | 25.5° | 39.9° |
| C1' | C2' | C3' | H3' | 154.0° | 139.6° |
| C1' | C2' | O2' | HO2' | 180.0° | 180.0° |
| C3' | C2' | C1' | O4' | 41.8° | 37.0° |
| C2' | C3' | O3' | C4' | 112.9° | 114.7° |
| C2' | C3' | O3' | H3' | 125.5° | 122.8° |
| C2' | C3' | C4' | H3' | 115.5° | 118.8° |
| C2' | C3' | C4' | O4' | 25.2° | 2.0° |
| C2' | C3' | C4' | C5' | 99.0° | 121.5° |
| C2' | C3' | C4' | H4' | 144.3° | 117.6° |
| C2' | C3' | O3' | HO3' | 180.0° | 65.3° |
| C3' | C2' | O2' | HO2' | 67.9° | 67.3° |
| C3' | C2' | C1' | H1' | 77.4° | 81.4° |
| O5' | PA | O2A | O3A | 105.9° | 120.0° |
| O5' | PA | O3A | PB | 157.5° | 160.0° |
| PA | O5' | C5' | C4' | 164.7° | 180.0° |
| O5' | PA | O2A | HOA2 | 117.8° | 60.0° |
| PA | O5' | C5' | H5'' | 44.2° | 60.0° |
| PA | O5' | C5' | H5' | 74.9° | 60.0° |
| O2A | PA | O5' | C5' | 44.7° | 65.0° |
| O2A | PA | O3A | PB | 47.1° | 80.0° |
| O3A | PA | O5' | C5' | 68.4° | 175.0° |
| PA | O3A | PB | O1B | 83.3° | 45.0° |
| PA | O3A | PB | O2B | 49.7° | 75.0° |
| PA | O3A | PB | O3B | 161.9° | 165.0° |
| O3A | PA | O2A | HOA2 | 136.3° | 60.0° |
| C1' | O4' | C4' | C3' | 0.2° | 26.5° |
| C1' | O4' | C4' | C5' | 119.9° | 145.9° |
| C1' | O4' | C4' | H4' | 118.2° | 93.0° |
| O4' | C1' | C2' | H2' | 76.2° | 81.2° |
| O5' | C5' | C4' | C3' | 65.2° | 175.3° |
| O5' | C5' | C4' | O4' | 55.6° | 66.7° |
| O5' | C5' | C4' | H5'' | 120.5° | 120.0° |
| O5' | C5' | C4' | H5' | 120.5° | 120.0° |
| O5' | C5' | H5'' | H5' | 118.5° | 120.0° |
| O5' | C5' | C4' | H4' | 178.1° | 54.3° |
| O1B | PB | O3A | O2B | 133.0° | 120.0° |
| O1B | PB | O3A | O3B | 114.8° | 120.0° |
| O1B | PB | O2B | O3B | 115.5° | 120.0° |
| O1B | PB | O3B | CBE | 156.2° | 55.1° |
| O1B | PB | O2B | HOB2 | 0.0° | 180.0° |
| O3A | PB | O2B | O3B | 110.7° | 120.0° |
| O3A | PB | O3B | CBE | 36.2° | 175.0° |
| O3A | PB | O2B | HOB2 | 133.8° | 60.0° |
| O3' | C3' | C4' | H3' | 121.9° | 122.6° |
| O3' | C3' | C4' | O4' | 97.4° | 120.6° |
| O3' | C3' | C4' | C5' | 138.4° | 119.9° |
| O3' | C3' | C4' | H4' | 21.7° | 1.1° |
| O3' | C3' | C2' | H2' | 161.9° | 144.1° |
| C3' | C4' | O4' | C5' | 119.6° | 119.5° |
| C3' | C4' | O4' | H4' | 118.4° | 119.5° |
| C3' | C4' | C5' | H4' | 116.7° | 120.9° |
| C3' | C4' | C5' | H5'' | 55.3° | 64.7° |
| C3' | C4' | C5' | H5' | 174.3° | 55.3° |
| C4' | C3' | O3' | HO3' | 67.1° | 180.0° |
| C4' | C3' | C2' | H2' | 78.7° | 97.3° |
| O4' | C4' | C5' | H4' | 122.5° | 121.1° |
| O4' | C4' | C5' | H5'' | 176.1° | 53.3° |
| O4' | C4' | C5' | H5' | 64.9° | 173.3° |
| O4' | C4' | C3' | H3' | 140.7° | 116.8° |
| C4' | O4' | C1' | H1' | 92.7° | 78.5° |
| O2B | PB | O3B | CBE | 84.7° | 65.0° |
| PB | O3B | CBE | CBC | 125.8° | 180.0° |
| PB | O3B | CBE | HBF | 114.0° | 60.1° |
| PB | O3B | CBE | HBE | 5.5° | 60.0° |
| O3B | PB | O2B | HOB2 | 115.5° | 60.0° |
| C4' | C5' | H5'' | H5' | 118.5° | 120.0° |
| C5' | C4' | C3' | H3' | 16.5° | 2.7° |
| O3B | CBE | CBC | HBF | 120.2° | 120.0° |
| O3B | CBE | CBC | HBE | 120.3° | 120.1° |
| O3B | CBE | CBC | OBD | 75.3° | 65.0° |
| O3B | CBE | CBC | CBD | 41.3° | 175.0° |
| O3B | CBE | CBC | HBC | 163.3° | 54.9° |
| O3B | CBE | HBF | HBE | 119.3° | 120.1° |
| CBE | CBC | OBD | CBD | 118.7° | 120.0° |
| CBE | CBC | OBD | HBC | 120.0° | 120.0° |
| CBE | CBC | CBD | HBC | 121.7° | 120.1° |
| CBE | CBC | CBD | OBF | 97.8° | 115.0° |
| CBE | CBC | CBD | OBG | 81.3° | 65.0° |
| CBE | CBC | OBD | HBD | 110.0° | 60.1° |
| CBC | CBE | HBF | HBE | 119.3° | 119.9° |
| OBD | CBC | CBD | HBC | 122.4° | 120.0° |
| OBD | CBC | CBD | OBF | 18.1° | 5.0° |
| OBD | CBC | CBD | OBG | 162.9° | 175.0° |
| OBD | CBC | CBE | HBF | 164.5° | 175.0° |
| OBD | CBC | CBE | HBE | 45.0° | 55.0° |
| CBC | CBD | OBF | OBG | 178.9° | 180.0° |
| CBC | CBD | OBG | HBG | 179.0° | 180.0° |
| CBD | CBC | OBD | HBD | 8.6° | 59.9° |
| CBD | CBC | CBE | HBF | 78.9° | 55.0° |
| CBD | CBC | CBE | HBE | 161.6° | 65.0° |
| OBF | CBD | OBG | HBG | 0.0° | 0.1° |
| OBF | CBD | CBC | HBC | 140.5° | 125.0° |
| OBG | CBD | CBC | HBC | 40.4° | 55.0° |
| HBC | CBC | OBD | HBD | 130.0° | 179.9° |
| HBC | CBC | CBE | HBF | 43.0° | 65.0° |
| HBC | CBC | CBE | HBE | 76.5° | 175.0° |
| H5'' | C5' | C4' | H4' | 61.4° | 174.3° |
| H5' | C5' | C4' | H4' | 57.6° | 65.6° |
| H4' | C4' | C3' | H3' | 100.2° | 123.6° |
| H3' | C3' | O3' | HO3' | 54.5° | 57.5° |
| H3' | C3' | C2' | H2' | 36.4° | 21.4° |
| H2' | C2' | O2' | HO2' | 56.3° | 56.4° |
| H2' | C2' | C1' | H1' | 164.6° | 160.4° |
