U3J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | doub | 1.22Å | 1.42Å | |
| O2A | PA | doub | 1.48Å | 1.50Å | |
| O4' | C4' | sing | 1.44Å | 1.65Å | |
| O4' | C1' | sing | 1.44Å | 1.30Å | |
| O1B | PB | doub | 1.48Å | 1.51Å | |
| C3' | C4' | sing | 1.54Å | 1.34Å | |
| C3' | C2' | sing | 1.55Å | 1.54Å | |
| C3' | O3' | sing | 1.43Å | 1.51Å | |
| C4' | C5' | sing | 1.53Å | 1.47Å | |
| C1' | C2' | sing | 1.54Å | 1.60Å | |
| C1' | N9 | sing | 1.47Å | 1.46Å | |
| C2' | O2' | sing | 1.43Å | 1.33Å | |
| N3 | C2 | sing | 1.35Å | 1.32Å | |
| N3 | C4 | sing | 1.38Å | 1.34Å | |
| C2 | N1 | sing | 1.34Å | 1.32Å | |
| PA | O5' | sing | 1.61Å | 1.64Å | |
| PA | O3A | sing | 1.61Å | 1.68Å | |
| PA | O1A | sing | 1.61Å | 1.52Å | |
| N9 | C4 | sing | 1.36Å | 1.35Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.34Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| PB | O3A | sing | 1.61Å | 1.68Å | |
| PB | O2B | sing | 1.61Å | 1.49Å | |
| PB | O3B | sing | 1.61Å | 1.52Å | |
| N1 | C6 | sing | 1.35Å | 1.33Å | |
| C8 | N7 | doub | 1.30Å | 1.33Å | Aromatic |
| C5 | C6 | sing | 1.46Å | 1.39Å | |
| C5 | N7 | sing | 1.35Å | 1.36Å | Aromatic |
| C6 | O6 | doub | 1.22Å | 1.39Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C1' | H4 | sing | 1.09Å | 1.10Å | |
| C2' | H5 | sing | 1.09Å | 1.10Å | |
| C3' | H6 | sing | 1.09Å | 1.10Å | |
| C4' | H7 | sing | 1.09Å | 1.10Å | |
| C5' | H8 | sing | 1.09Å | 1.10Å | |
| C5' | H9 | sing | 1.09Å | 1.10Å | |
| O1A | H10 | sing | 0.97Å | 0.95Å | |
| O2' | H11 | sing | 0.97Å | 0.95Å | |
| O2B | H12 | sing | 0.97Å | 0.95Å | |
| O3' | H13 | sing | 0.97Å | 0.95Å | |
| O3B | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | N3 | 119.4° | 118.8° |
| O2 | C2 | N1 | 119.0° | 118.9° |
| O2A | PA | O5' | 109.9° | 109.5° |
| O2A | PA | O3A | 109.6° | 109.4° |
| O2A | PA | O1A | 109.1° | 109.5° |
| C4' | O4' | C1' | 108.1° | 105.3° |
| O4' | C4' | C3' | 106.8° | 104.8° |
| O4' | C4' | C5' | 109.8° | 110.4° |
| O4' | C4' | H7 | 107.5° | 110.5° |
| O4' | C1' | C2' | 107.1° | 104.8° |
| O4' | C1' | N9 | 110.1° | 110.4° |
| O4' | C1' | H4 | 110.9° | 110.5° |
| O1B | PB | O3A | 109.4° | 109.5° |
| O1B | PB | O2B | 109.5° | 109.5° |
| O1B | PB | O3B | 109.4° | 109.4° |
| C4' | C3' | C2' | 105.7° | 104.0° |
| C4' | C3' | O3' | 111.0° | 110.5° |
| C3' | C4' | C5' | 111.1° | 110.3° |
| C4' | C3' | H6 | 111.8° | 110.5° |
| C3' | C4' | H7 | 111.8° | 110.4° |
| C2' | C3' | O3' | 110.3° | 110.5° |
| C3' | C2' | C1' | 105.2° | 104.1° |
| C3' | C2' | O2' | 110.2° | 110.5° |
| C3' | C2' | H5 | 108.9° | 110.6° |
| C2' | C3' | H6 | 108.8° | 110.5° |
| O3' | C3' | H6 | 109.2° | 110.6° |
| C3' | O3' | H13 | 109.5° | 113.9° |
| C4' | C5' | O5' | 108.4° | 109.5° |
| C5' | C4' | H7 | 109.7° | 110.3° |
| C4' | C5' | H8 | 109.7° | 109.5° |
| C4' | C5' | H9 | 109.7° | 109.5° |
| C2' | C1' | N9 | 113.3° | 110.3° |
| C1' | C2' | O2' | 112.0° | 110.5° |
| C2' | C1' | H4 | 106.9° | 110.3° |
| C1' | C2' | H5 | 108.2° | 110.6° |
| C1' | N9 | C4 | 125.0° | 126.2° |
| C1' | N9 | C8 | 127.5° | 126.2° |
| N9 | C1' | H4 | 108.6° | 110.3° |
| O2' | C2' | H5 | 112.0° | 110.5° |
| C2' | O2' | H11 | 109.5° | 114.0° |
| C2 | N3 | C4 | 120.2° | 120.7° |
| N3 | C2 | N1 | 121.6° | 122.3° |
| C2 | N3 | H3 | 119.9° | 119.6° |
| N3 | C4 | N9 | 132.2° | 134.4° |
| N3 | C4 | C5 | 119.8° | 119.2° |
| C4 | N3 | H3 | 119.9° | 119.6° |
| C2 | N1 | C6 | 121.6° | 120.9° |
| C2 | N1 | H1 | 119.2° | 119.5° |
| O5' | PA | O3A | 109.5° | 109.5° |
| O5' | PA | O1A | 109.2° | 109.5° |
| PA | O5' | C5' | 118.0° | 123.0° |
| O3A | PA | O1A | 109.5° | 109.4° |
| PA | O3A | PB | 123.1° | 134.0° |
| PA | O1A | H10 | 109.5° | 114.0° |
| C4 | N9 | C8 | 107.5° | 107.6° |
| N9 | C4 | C5 | 108.1° | 106.4° |
| N9 | C8 | N7 | 109.4° | 109.5° |
| N9 | C8 | H2 | 125.3° | 125.2° |
| C4 | C5 | C6 | 118.0° | 118.3° |
| C4 | C5 | N7 | 106.0° | 107.4° |
| O5' | C5' | H8 | 109.7° | 109.5° |
| O5' | C5' | H9 | 109.8° | 109.4° |
| O3A | PB | O2B | 109.1° | 109.5° |
| O3A | PB | O3B | 109.7° | 109.5° |
| O2B | PB | O3B | 109.7° | 109.4° |
| PB | O2B | H12 | 109.5° | 114.0° |
| PB | O3B | H14 | 109.5° | 114.0° |
| N1 | C6 | C5 | 118.9° | 118.5° |
| N1 | C6 | O6 | 120.3° | 120.8° |
| C6 | N1 | H1 | 119.2° | 119.5° |
| C8 | N7 | C5 | 108.9° | 109.1° |
| N7 | C8 | H2 | 125.3° | 125.2° |
| C6 | C5 | N7 | 136.0° | 134.3° |
| C5 | C6 | O6 | 120.8° | 120.7° |
| H8 | C5' | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | N3 | N1 | 180.0° | 179.9° |
| O2 | C2 | N3 | C4 | 180.0° | 179.5° |
| O2 | C2 | N1 | C6 | 180.0° | 180.0° |
| O2 | C2 | N1 | H1 | 0.0° | 0.2° |
| O2 | C2 | N3 | H3 | 0.1° | 0.0° |
| O2A | PA | O5' | O3A | 120.5° | 120.0° |
| O2A | PA | O5' | O1A | 119.6° | 120.1° |
| O2A | PA | O3A | O1A | 119.6° | 120.0° |
| O2A | PA | O5' | C5' | 75.9° | 55.0° |
| O2A | PA | O3A | PB | 57.1° | 45.0° |
| O2A | PA | O1A | H10 | 0.0° | 180.0° |
| O4' | C4' | C3' | C5' | 119.7° | 118.8° |
| O4' | C4' | C3' | H7 | 117.3° | 119.0° |
| O4' | C4' | C3' | C2' | 26.5° | 24.0° |
| O4' | C4' | C3' | O3' | 146.1° | 94.6° |
| O4' | C4' | C5' | H7 | 117.9° | 122.4° |
| C4' | O4' | C1' | C2' | 7.4° | 40.5° |
| C4' | O4' | C1' | N9 | 116.2° | 159.3° |
| O4' | C4' | C5' | O5' | 114.2° | 69.6° |
| C4' | O4' | C1' | H4 | 123.6° | 78.3° |
| O4' | C4' | C3' | H6 | 91.7° | 142.6° |
| O4' | C4' | C5' | H8 | 126.0° | 170.4° |
| O4' | C4' | C5' | H9 | 5.6° | 50.3° |
| C1' | O4' | C4' | C3' | 23.0° | 40.5° |
| O4' | C1' | C2' | C3' | 7.7° | 23.9° |
| C1' | O4' | C4' | C5' | 97.6° | 159.3° |
| O4' | C1' | C2' | N9 | 121.6° | 118.9° |
| O4' | C1' | C2' | H4 | 118.9° | 119.0° |
| O4' | C1' | N9 | H4 | 121.6° | 122.4° |
| O4' | C1' | C2' | O2' | 112.1° | 94.6° |
| O4' | C1' | N9 | C4 | 123.8° | 159.6° |
| O4' | C1' | N9 | C8 | 55.1° | 20.6° |
| O4' | C1' | C2' | H5 | 124.0° | 142.7° |
| C1' | O4' | C4' | H7 | 143.2° | 78.4° |
| O1B | PB | O3A | PA | 85.5° | 40.0° |
| O1B | PB | O3A | O2B | 119.8° | 120.0° |
| O1B | PB | O3A | O3B | 120.0° | 120.0° |
| O1B | PB | O2B | O3B | 120.1° | 119.9° |
| O1B | PB | O2B | H12 | 0.0° | 179.9° |
| O1B | PB | O3B | H14 | 0.0° | 60.0° |
| C4' | C3' | C2' | O3' | 120.0° | 118.7° |
| C4' | C3' | C2' | H6 | 120.2° | 118.6° |
| C4' | C3' | O3' | H6 | 123.7° | 122.7° |
| C3' | C4' | C5' | H7 | 124.1° | 122.2° |
| C4' | C3' | C2' | C1' | 22.6° | 0.1° |
| C4' | C3' | C2' | O2' | 98.3° | 118.7° |
| C3' | C4' | C5' | O5' | 127.8° | 175.0° |
| C4' | C3' | C2' | H5 | 138.4° | 118.7° |
| C3' | C4' | C5' | H8 | 8.0° | 55.0° |
| C3' | C4' | C5' | H9 | 112.4° | 65.0° |
| C4' | C3' | O3' | H13 | 180.0° | 180.0° |
| C2' | C3' | O3' | H6 | 119.5° | 122.7° |
| C2' | C3' | C4' | C5' | 93.2° | 142.8° |
| C3' | C2' | C1' | O2' | 119.8° | 118.6° |
| C3' | C2' | C1' | H5 | 116.3° | 118.8° |
| C3' | C2' | C1' | N9 | 129.3° | 142.8° |
| C3' | C2' | O2' | H5 | 121.4° | 122.7° |
| C3' | C2' | C1' | H4 | 111.2° | 95.0° |
| C2' | C3' | C4' | H7 | 143.9° | 95.0° |
| C3' | C2' | O2' | H11 | 180.0° | 65.3° |
| C2' | C3' | O3' | H13 | 63.2° | 65.4° |
| O3' | C3' | C4' | C5' | 26.4° | 24.2° |
| O3' | C3' | C2' | C1' | 142.6° | 118.6° |
| O3' | C3' | C2' | O2' | 21.7° | 0.0° |
| O3' | C3' | C2' | H5 | 101.6° | 122.6° |
| O3' | C3' | C4' | H7 | 96.5° | 146.4° |
| C4' | C5' | O5' | PA | 88.9° | 180.0° |
| C4' | C5' | O5' | H8 | 119.8° | 120.0° |
| C4' | C5' | O5' | H9 | 119.8° | 120.0° |
| C5' | C4' | C3' | H6 | 148.6° | 98.6° |
| C4' | C5' | H8 | H9 | 120.5° | 120.0° |
| C2' | C1' | N9 | H4 | 118.5° | 122.2° |
| C1' | C2' | O2' | H5 | 121.8° | 122.7° |
| C2' | C1' | N9 | C4 | 116.4° | 85.0° |
| C2' | C1' | N9 | C8 | 64.8° | 94.8° |
| C1' | C2' | C3' | H6 | 97.6° | 118.7° |
| C1' | C2' | O2' | H11 | 63.2° | 179.9° |
| N9 | C1' | C2' | O2' | 9.5° | 24.2° |
| C1' | N9 | C4 | N3 | 0.7° | 0.0° |
| C1' | N9 | C4 | C8 | 179.1° | 179.8° |
| C1' | N9 | C4 | C5 | 179.5° | 179.2° |
| C1' | N9 | C8 | N7 | 179.6° | 179.2° |
| C1' | N9 | C8 | H2 | 0.4° | 0.2° |
| N9 | C1' | C2' | H5 | 114.4° | 98.4° |
| O2' | C2' | C1' | H4 | 129.1° | 146.4° |
| O2' | C2' | C3' | H6 | 141.5° | 122.7° |
| C2 | N3 | C4 | H3 | 180.0° | 179.4° |
| C2 | N3 | C4 | N9 | 179.8° | 180.0° |
| C2 | N3 | C4 | C5 | 0.0° | 0.8° |
| N3 | C2 | N1 | C6 | 0.0° | 0.0° |
| N3 | C2 | N1 | H1 | 180.0° | 179.7° |
| C4 | N3 | C2 | N1 | 0.0° | 0.6° |
| N3 | C4 | N9 | C5 | 179.8° | 179.3° |
| N3 | C4 | N9 | C8 | 179.7° | 179.8° |
| N3 | C4 | C5 | C6 | 0.0° | 0.5° |
| N3 | C4 | C5 | N7 | 180.0° | 180.0° |
| C2 | N1 | C6 | H1 | 180.0° | 179.8° |
| C2 | N1 | C6 | C5 | 0.0° | 0.3° |
| C2 | N1 | C6 | O6 | 180.0° | 179.8° |
| N1 | C2 | N3 | H3 | 180.0° | 180.0° |
| O5' | PA | O3A | O1A | 119.8° | 120.0° |
| O5' | PA | O3A | PB | 177.8° | 165.0° |
| PA | O5' | C5' | H8 | 30.9° | 60.0° |
| PA | O5' | C5' | H9 | 151.3° | 60.0° |
| O5' | PA | O1A | H10 | 120.1° | 60.0° |
| O3A | PA | O5' | C5' | 163.6° | 175.0° |
| PA | O3A | PB | O2B | 34.3° | 80.0° |
| PA | O3A | PB | O3B | 154.5° | 160.0° |
| O3A | PA | O1A | H10 | 120.0° | 60.1° |
| O1A | PA | O5' | C5' | 43.7° | 65.1° |
| O1A | PA | O3A | PB | 62.5° | 75.0° |
| C4 | N9 | C8 | N7 | 0.6° | 1.0° |
| N9 | C4 | C5 | C6 | 179.8° | 179.9° |
| N9 | C4 | C5 | N7 | 0.1° | 0.6° |
| C4 | N9 | C8 | H2 | 179.4° | 179.6° |
| N9 | C4 | N3 | H3 | 0.2° | 0.5° |
| C4 | N9 | C1' | H4 | 2.2° | 37.2° |
| C8 | N9 | C4 | C5 | 0.4° | 0.9° |
| N9 | C8 | N7 | H2 | 180.0° | 179.4° |
| N9 | C8 | N7 | C5 | 0.5° | 0.6° |
| C8 | N9 | C1' | H4 | 176.7° | 143.0° |
| C4 | C5 | C6 | N1 | 0.0° | 0.0° |
| C4 | C5 | N7 | C8 | 0.2° | 0.0° |
| C4 | C5 | C6 | N7 | 180.0° | 179.3° |
| C4 | C5 | C6 | O6 | 180.0° | 180.0° |
| C5 | C4 | N3 | H3 | 180.0° | 179.7° |
| O5' | C5' | C4' | H7 | 3.7° | 52.8° |
| O5' | C5' | H8 | H9 | 120.5° | 120.0° |
| O3A | PB | O2B | O3B | 120.2° | 120.0° |
| O3A | PB | O2B | H12 | 119.7° | 60.0° |
| O3A | PB | O3B | H14 | 120.0° | 180.0° |
| O2B | PB | O3B | H14 | 120.2° | 60.0° |
| O3B | PB | O2B | H12 | 120.1° | 60.0° |
| N1 | C6 | C5 | O6 | 180.0° | 179.9° |
| N1 | C6 | C5 | N7 | 180.0° | 179.3° |
| C8 | N7 | C5 | C6 | 179.8° | 179.4° |
| C5 | C6 | N1 | H1 | 180.0° | 180.0° |
| N7 | C5 | C6 | O6 | 0.0° | 0.6° |
| C5 | N7 | C8 | H2 | 179.5° | 180.0° |
| O6 | C6 | N1 | H1 | 0.0° | 0.0° |
| H4 | C1' | C2' | H5 | 5.1° | 23.8° |
| H5 | C2' | C3' | H6 | 18.2° | 0.1° |
| H5 | C2' | O2' | H11 | 58.6° | 57.4° |
| H6 | C3' | C4' | H7 | 25.7° | 23.6° |
| H6 | C3' | O3' | H13 | 56.3° | 57.3° |
| H7 | C4' | C5' | H8 | 116.1° | 67.2° |
| H7 | C4' | C5' | H9 | 123.5° | 172.8° |
