DOI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PA | O1A | doub | 1.48Å | 1.52Å | |
| PA | O2A | sing | 1.61Å | 1.52Å | |
| PA | O3A | sing | 1.61Å | 1.52Å | |
| PA | O5' | sing | 1.61Å | 1.63Å | |
| O2A | H2A | sing | 0.97Å | 0.95Å | |
| O3A | H3A | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.45Å | |
| P6 | O16 | doub | 1.61Å | 1.53Å | |
| P6 | O26 | sing | 1.61Å | 1.53Å | |
| P6 | O36 | sing | 1.48Å | 1.53Å | |
| P6 | O6 | sing | 1.61Å | 1.62Å | |
| O26 | H26 | sing | 0.97Å | 0.95Å | |
| O36 | H36 | sing | 6.06Å | 0.95Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.45Å | 1.44Å | |
| C4' | C3' | sing | 1.54Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.41Å | |
| C1' | N9 | sing | 1.46Å | 1.46Å | |
| C1' | C2' | sing | 1.54Å | 1.53Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.38Å | Aromatic |
| C4 | N3 | doub | 1.33Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.39Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
| C2 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N1 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
| C6 | O6 | sing | 1.35Å | 1.23Å | |
| C6 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.39Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.31Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C2' | C3' | sing | 1.55Å | 1.52Å | |
| C2' | H2'1 | sing | 1.09Å | 1.10Å | |
| C2' | H2'2 | sing | 1.09Å | 1.10Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1A | PA | O2A | 112.5° | 109.5° |
| O1A | PA | O3A | 111.4° | 109.5° |
| O1A | PA | O5' | 105.7° | 109.5° |
| O2A | PA | O3A | 113.0° | 109.5° |
| O2A | PA | O5' | 106.5° | 109.4° |
| PA | O2A | H2A | 109.5° | 106.8° |
| O3A | PA | O5' | 107.1° | 109.5° |
| PA | O3A | H3A | 109.5° | 106.8° |
| PA | O5' | C5' | 121.8° | 106.8° |
| O5' | C5' | C4' | 110.2° | 109.5° |
| O5' | C5' | H5'1 | 109.1° | 109.4° |
| O5' | C5' | H5'2 | 109.2° | 109.5° |
| O16 | P6 | O26 | 112.0° | 109.5° |
| O16 | P6 | O36 | 113.2° | 109.5° |
| O16 | P6 | O6 | 106.5° | 109.5° |
| O26 | P6 | O36 | 113.0° | 109.5° |
| O26 | P6 | O6 | 105.2° | 109.5° |
| P6 | O26 | H26 | 109.5° | 106.8° |
| O36 | P6 | O6 | 106.2° | 109.5° |
| P6 | O36 | H36 | 109.5° | 62.4° |
| P6 | O6 | C6 | 122.3° | 106.8° |
| C4' | C5' | H5'1 | 109.1° | 109.4° |
| C4' | C5' | H5'2 | 109.2° | 109.5° |
| C5' | C4' | O4' | 109.5° | 110.3° |
| C5' | C4' | C3' | 116.3° | 110.6° |
| C5' | C4' | H4' | 103.9° | 110.4° |
| H5'1 | C5' | H5'2 | 110.0° | 109.5° |
| O4' | C4' | C3' | 107.1° | 104.7° |
| O4' | C4' | H4' | 113.7° | 110.4° |
| C4' | O4' | C1' | 109.8° | 105.4° |
| C3' | C4' | H4' | 106.5° | 110.3° |
| C4' | C3' | C2' | 104.8° | 104.2° |
| C4' | C3' | O3' | 111.5° | 110.5° |
| C4' | C3' | H3' | 112.1° | 110.5° |
| O4' | C1' | N9 | 107.3° | 110.5° |
| O4' | C1' | C2' | 106.8° | 104.8° |
| O4' | C1' | H1' | 113.3° | 110.4° |
| N9 | C1' | C2' | 111.7° | 110.4° |
| N9 | C1' | H1' | 108.6° | 110.3° |
| C1' | N9 | C4 | 124.4° | 126.3° |
| C1' | N9 | C8 | 125.2° | 126.3° |
| C2' | C1' | H1' | 109.1° | 110.4° |
| C1' | C2' | C3' | 102.7° | 104.1° |
| C1' | C2' | H2'1 | 113.2° | 110.5° |
| C1' | C2' | H2'2 | 111.8° | 110.5° |
| C4 | N9 | C8 | 105.7° | 107.4° |
| N9 | C4 | N3 | 127.3° | 135.0° |
| N9 | C4 | C5 | 105.8° | 106.0° |
| N9 | C8 | N7 | 113.9° | 110.0° |
| N9 | C8 | H8 | 123.0° | 125.0° |
| N3 | C4 | C5 | 126.9° | 119.0° |
| C4 | N3 | C2 | 110.6° | 120.6° |
| C4 | C5 | C6 | 117.0° | 118.2° |
| C4 | C5 | N7 | 110.7° | 107.1° |
| N3 | C2 | N1 | 129.2° | 122.5° |
| N3 | C2 | H2 | 115.4° | 118.7° |
| N1 | C2 | H2 | 115.4° | 118.8° |
| C2 | N1 | C6 | 118.7° | 121.3° |
| N1 | C6 | O6 | 121.8° | 120.8° |
| N1 | C6 | C5 | 117.6° | 118.5° |
| O6 | C6 | C5 | 118.1° | 120.7° |
| C6 | C5 | N7 | 132.3° | 134.7° |
| C5 | N7 | C8 | 103.8° | 109.5° |
| N7 | C8 | H8 | 123.1° | 125.0° |
| C3' | C2' | H2'1 | 113.2° | 110.5° |
| C3' | C2' | H2'2 | 111.8° | 110.5° |
| C2' | C3' | O3' | 111.9° | 110.5° |
| C2' | C3' | H3' | 111.7° | 110.5° |
| H2'1 | C2' | H2'2 | 104.4° | 110.6° |
| O3' | C3' | H3' | 105.0° | 110.5° |
| C3' | O3' | HO3' | 109.5° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | PA | O2A | O3A | 127.3° | 120.0° |
| O1A | PA | O2A | O5' | 115.3° | 120.0° |
| O1A | PA | O3A | O5' | 115.2° | 120.0° |
| O1A | PA | O2A | H2A | 76.2° | 60.0° |
| O1A | PA | O3A | H3A | 115.6° | 180.0° |
| O1A | PA | O5' | C5' | 177.2° | 55.0° |
| O2A | PA | O3A | O5' | 117.0° | 120.0° |
| O2A | PA | O3A | H3A | 116.6° | 60.0° |
| O2A | PA | O5' | C5' | 57.4° | 175.0° |
| O3A | PA | O2A | H2A | 51.1° | 60.0° |
| O3A | PA | O5' | C5' | 63.8° | 65.0° |
| O5' | PA | O2A | H2A | 168.5° | 180.0° |
| O5' | PA | O3A | H3A | 0.4° | 59.9° |
| PA | O5' | C5' | C4' | 132.7° | 180.0° |
| PA | O5' | C5' | H5'1 | 13.0° | 60.0° |
| PA | O5' | C5' | H5'2 | 107.3° | 60.0° |
| O5' | C5' | C4' | H5'1 | 119.7° | 120.0° |
| O5' | C5' | C4' | H5'2 | 120.0° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 119.8° | 120.0° |
| O5' | C5' | C4' | O4' | 65.4° | 66.5° |
| O5' | C5' | C4' | C3' | 56.2° | 178.1° |
| O5' | C5' | C4' | H4' | 172.8° | 55.8° |
| O16 | P6 | O26 | O36 | 129.3° | 120.0° |
| O16 | P6 | O26 | O6 | 115.3° | 120.0° |
| O16 | P6 | O36 | O6 | 116.5° | 120.0° |
| O16 | P6 | O26 | H26 | 64.1° | 60.0° |
| O16 | P6 | O36 | H36 | 26.6° | 173.9° |
| O16 | P6 | O6 | C6 | 53.1° | 175.0° |
| O26 | P6 | O36 | O6 | 114.9° | 120.0° |
| O26 | P6 | O36 | H36 | 155.2° | 53.9° |
| O26 | P6 | O6 | C6 | 172.2° | 65.0° |
| O36 | P6 | O26 | H26 | 65.1° | 180.0° |
| O36 | P6 | O6 | C6 | 67.8° | 55.0° |
| O6 | P6 | O26 | H26 | 179.5° | 60.0° |
| O6 | P6 | O36 | H36 | 89.9° | 66.2° |
| P6 | O6 | C6 | N1 | 25.5° | 90.0° |
| P6 | O6 | C6 | C5 | 172.8° | 90.0° |
| C4' | C5' | H5'1 | H5'2 | 119.8° | 120.1° |
| C5' | C4' | O4' | C3' | 126.9° | 119.1° |
| C5' | C4' | O4' | H4' | 115.7° | 122.3° |
| C5' | C4' | C3' | H4' | 115.2° | 122.4° |
| C5' | C4' | O4' | C1' | 136.2° | 159.4° |
| C5' | C4' | C3' | C2' | 112.7° | 142.7° |
| C5' | C4' | C3' | O3' | 126.0° | 98.6° |
| C5' | C4' | C3' | H3' | 8.6° | 24.0° |
| H5'1 | C5' | C4' | O4' | 54.3° | 173.5° |
| H5'1 | C5' | C4' | C3' | 175.8° | 58.2° |
| H5'1 | C5' | C4' | H4' | 67.5° | 64.2° |
| H5'2 | C5' | C4' | O4' | 174.6° | 53.5° |
| H5'2 | C5' | C4' | C3' | 63.9° | 61.9° |
| H5'2 | C5' | C4' | H4' | 52.8° | 175.8° |
| O4' | C4' | C3' | H4' | 122.0° | 118.8° |
| C4' | O4' | C1' | N9 | 145.1° | 159.3° |
| C4' | O4' | C1' | C2' | 25.2° | 40.4° |
| C4' | O4' | C1' | H1' | 95.0° | 78.4° |
| O4' | C4' | C3' | C2' | 10.1° | 23.8° |
| O4' | C4' | C3' | O3' | 111.2° | 142.5° |
| O4' | C4' | C3' | H3' | 131.4° | 94.9° |
| C3' | C4' | O4' | C1' | 9.3° | 40.4° |
| C4' | C3' | C2' | C1' | 23.8° | 0.0° |
| C4' | C3' | C2' | O3' | 121.0° | 118.7° |
| C4' | C3' | C2' | H3' | 121.6° | 118.7° |
| C4' | C3' | C2' | H2'1 | 98.6° | 118.6° |
| C4' | C3' | C2' | H2'2 | 143.8° | 118.7° |
| C4' | C3' | O3' | H3' | 121.6° | 122.7° |
| C4' | C3' | O3' | HO3' | 165.5° | 178.1° |
| H4' | C4' | O4' | C1' | 108.0° | 78.3° |
| H4' | C4' | C3' | C2' | 132.1° | 94.9° |
| H4' | C4' | C3' | O3' | 10.8° | 23.8° |
| H4' | C4' | C3' | H3' | 106.6° | 146.4° |
| O4' | C1' | N9 | C2' | 116.8° | 115.5° |
| O4' | C1' | N9 | H1' | 122.9° | 122.3° |
| O4' | C1' | C2' | H1' | 122.9° | 118.9° |
| O4' | C1' | N9 | C4 | 145.4° | 159.8° |
| O4' | C1' | N9 | C8 | 7.0° | 20.5° |
| O4' | C1' | C2' | C3' | 30.3° | 24.0° |
| O4' | C1' | C2' | H2'1 | 92.1° | 94.6° |
| O4' | C1' | C2' | H2'2 | 150.3° | 142.6° |
| N9 | C1' | C2' | H1' | 120.1° | 122.2° |
| C1' | N9 | C4 | C8 | 156.8° | 179.8° |
| C1' | N9 | C4 | N3 | 23.6° | 0.7° |
| C1' | N9 | C4 | C5 | 155.9° | 179.9° |
| C1' | N9 | C8 | N7 | 155.9° | 180.0° |
| C1' | N9 | C8 | H8 | 24.1° | 0.1° |
| N9 | C1' | C2' | C3' | 147.4° | 142.9° |
| N9 | C1' | C2' | H2'1 | 24.9° | 24.3° |
| N9 | C1' | C2' | H2'2 | 92.7° | 98.4° |
| C2' | C1' | N9 | C4 | 97.8° | 84.7° |
| C2' | C1' | N9 | C8 | 109.8° | 95.0° |
| C1' | C2' | C3' | H2'1 | 122.4° | 118.6° |
| C1' | C2' | C3' | H2'2 | 120.0° | 118.7° |
| C1' | C2' | H2'1 | H2'2 | 121.8° | 122.7° |
| C1' | C2' | C3' | O3' | 97.2° | 118.7° |
| C1' | C2' | C3' | H3' | 145.4° | 118.8° |
| H1' | C1' | N9 | C4 | 22.5° | 37.5° |
| H1' | C1' | N9 | C8 | 129.8° | 142.7° |
| H1' | C1' | C2' | C3' | 92.6° | 94.9° |
| H1' | C1' | C2' | H2'1 | 145.0° | 146.5° |
| H1' | C1' | C2' | H2'2 | 27.4° | 23.8° |
| N9 | C4 | N3 | C5 | 179.4° | 179.1° |
| N9 | C4 | N3 | C2 | 179.2° | 179.6° |
| N9 | C4 | C5 | C6 | 178.6° | 179.8° |
| N9 | C4 | C5 | N7 | 0.9° | 0.3° |
| C4 | N9 | C8 | N7 | 0.7° | 0.2° |
| C4 | N9 | C8 | H8 | 179.3° | 179.8° |
| C8 | N9 | C4 | N3 | 179.5° | 179.5° |
| C8 | N9 | C4 | C5 | 0.9° | 0.3° |
| N9 | C8 | N7 | C5 | 0.1° | 0.0° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| C4 | N3 | C2 | N1 | 0.2° | 0.3° |
| C4 | N3 | C2 | H2 | 179.8° | 179.8° |
| N3 | C4 | C5 | C6 | 1.0° | 0.5° |
| N3 | C4 | C5 | N7 | 179.6° | 179.7° |
| C5 | C4 | N3 | C2 | 0.2° | 0.5° |
| C4 | C5 | C6 | N1 | 1.3° | 0.2° |
| C4 | C5 | C6 | O6 | 161.2° | 179.7° |
| C4 | C5 | C6 | N7 | 179.3° | 179.8° |
| C4 | C5 | N7 | C8 | 0.5° | 0.2° |
| N3 | C2 | N1 | H2 | 180.0° | 179.9° |
| N3 | C2 | N1 | C6 | 0.1° | 0.0° |
| C2 | N1 | C6 | O6 | 160.9° | 180.0° |
| C2 | N1 | C6 | C5 | 0.9° | 0.0° |
| H2 | C2 | N1 | C6 | 179.9° | 180.0° |
| N1 | C6 | O6 | C5 | 161.7° | 180.0° |
| N1 | C6 | C5 | N7 | 179.4° | 180.0° |
| O6 | C6 | C5 | N7 | 18.1° | 0.0° |
| C6 | C5 | N7 | C8 | 178.9° | 180.0° |
| C5 | N7 | C8 | H8 | 179.8° | 179.9° |
| C3' | C2' | H2'1 | H2'2 | 121.8° | 122.7° |
| C2' | C3' | O3' | H3' | 121.3° | 122.6° |
| C2' | C3' | O3' | HO3' | 77.4° | 63.3° |
| H2'1 | C2' | C3' | O3' | 140.3° | 122.7° |
| H2'1 | C2' | C3' | H3' | 23.0° | 0.2° |
| H2'2 | C2' | C3' | O3' | 22.8° | 0.0° |
| H2'2 | C2' | C3' | H3' | 94.6° | 122.6° |
| H3' | C3' | O3' | HO3' | 43.9° | 59.3° |
