8XA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP1 | P | doub | 1.48Å | 1.48Å | |
| P | O5' | sing | 1.61Å | 1.61Å | |
| P | OP2 | sing | 1.61Å | 1.48Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| O2' | C2' | sing | 1.43Å | 1.43Å | |
| C4' | C3' | sing | 1.54Å | 1.53Å | |
| C4' | C5' | sing | 1.53Å | 1.52Å | |
| C4' | O4' | sing | 1.44Å | 1.42Å | |
| C3' | C2' | sing | 1.54Å | 1.53Å | |
| C3' | O3' | sing | 1.43Å | 1.44Å | |
| C2' | C1' | sing | 1.54Å | 1.52Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| C1' | N9 | sing | 1.47Å | 1.47Å | |
| N9 | C8 | sing | 1.36Å | 1.36Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.35Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.30Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.37Å | Aromatic |
| C2 | N1 | doub | 1.32Å | 1.33Å | Aromatic |
| N7 | C5 | sing | 1.36Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.34Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.33Å | |
| P | O1 | sing | 1.61Å | 1.62Å | |
| OP2 | H1 | 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 | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N6 | H61 | sing | 0.97Å | 1.00Å | |
| N6 | H62 | sing | 0.97Å | 1.00Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | H3 | sing | 0.97Å | 0.95Å | |
| O1 | H4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | O5' | 108.5° | 109.5° |
| OP1 | P | OP2 | 119.2° | 109.4° |
| OP1 | P | O1 | 108.8° | 109.5° |
| O5' | P | OP2 | 108.5° | 109.5° |
| P | O5' | C5' | 120.4° | 123.0° |
| O5' | P | O1 | 101.9° | 109.5° |
| OP2 | P | O1 | 108.5° | 109.4° |
| P | OP2 | H1 | 109.5° | 114.1° |
| O5' | C5' | C4' | 111.7° | 109.5° |
| O5' | C5' | H5' | 108.9° | 109.5° |
| O5' | C5' | H5'' | 108.9° | 109.5° |
| O2' | C2' | C3' | 111.2° | 110.6° |
| O2' | C2' | C1' | 111.5° | 110.5° |
| O2' | C2' | H2' | 111.0° | 110.4° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C3' | C4' | C5' | 110.7° | 110.4° |
| C3' | C4' | O4' | 108.8° | 104.8° |
| C4' | C3' | C2' | 103.1° | 104.1° |
| C4' | C3' | O3' | 111.3° | 110.5° |
| C3' | C4' | H4' | 108.6° | 110.4° |
| C4' | C3' | H3' | 109.6° | 110.5° |
| C5' | C4' | O4' | 110.1° | 110.4° |
| C4' | C5' | H5' | 108.9° | 109.5° |
| C4' | C5' | H5'' | 108.9° | 109.5° |
| C5' | C4' | H4' | 108.6° | 110.4° |
| C4' | O4' | C1' | 109.4° | 105.3° |
| O4' | C4' | H4' | 110.0° | 110.4° |
| C2' | C3' | O3' | 112.0° | 110.6° |
| C3' | C2' | C1' | 103.5° | 104.1° |
| C3' | C2' | H2' | 109.7° | 110.5° |
| C2' | C3' | H3' | 109.6° | 110.5° |
| O3' | C3' | H3' | 110.9° | 110.5° |
| C3' | O3' | H3 | 109.5° | 114.1° |
| C2' | C1' | O4' | 108.6° | 104.8° |
| C2' | C1' | N9 | 110.7° | 110.4° |
| C2' | C1' | H1' | 108.4° | 110.4° |
| C1' | C2' | H2' | 109.7° | 110.5° |
| O4' | C1' | N9 | 110.4° | 110.4° |
| O4' | C1' | H1' | 109.7° | 110.4° |
| C1' | N9 | C8 | 128.2° | 126.2° |
| C1' | N9 | C4 | 126.5° | 126.3° |
| N9 | C1' | H1' | 109.0° | 110.3° |
| C8 | N9 | C4 | 105.4° | 107.5° |
| N9 | C8 | N7 | 114.8° | 110.0° |
| N9 | C8 | H8 | 122.6° | 125.1° |
| N9 | C4 | N3 | 126.8° | 134.9° |
| N9 | C4 | C5 | 105.8° | 106.0° |
| C4 | N3 | C2 | 111.3° | 120.7° |
| N3 | C4 | C5 | 127.3° | 119.1° |
| N3 | C2 | N1 | 127.0° | 122.4° |
| N3 | C2 | H2 | 116.5° | 118.8° |
| C8 | N7 | C5 | 103.1° | 109.4° |
| N7 | C8 | H8 | 122.6° | 125.0° |
| C4 | C5 | N7 | 110.8° | 107.2° |
| C4 | C5 | C6 | 116.6° | 118.2° |
| C2 | N1 | C6 | 120.4° | 121.2° |
| N1 | C2 | H2 | 116.5° | 118.8° |
| N7 | C5 | C6 | 132.6° | 134.6° |
| C5 | C6 | N1 | 117.5° | 118.4° |
| C5 | C6 | N6 | 123.4° | 120.9° |
| N1 | C6 | N6 | 119.1° | 120.7° |
| C6 | N6 | H61 | 109.5° | 120.1° |
| C6 | N6 | H62 | 109.5° | 120.0° |
| P | O1 | H4 | 109.5° | 114.0° |
| H5' | C5' | H5'' | 109.5° | 109.4° |
| H61 | N6 | H62 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | O5' | OP2 | 130.9° | 120.0° |
| OP1 | P | O5' | O1 | 114.7° | 120.1° |
| OP1 | P | OP2 | O1 | 125.2° | 120.0° |
| OP1 | P | O5' | C5' | 155.1° | 55.0° |
| OP1 | P | OP2 | H1 | 0.0° | 60.0° |
| OP1 | P | O1 | H4 | 0.0° | 180.0° |
| O5' | P | OP2 | O1 | 110.0° | 120.0° |
| P | O5' | C5' | C4' | 116.0° | 180.0° |
| O5' | P | OP2 | H1 | 124.8° | 180.0° |
| P | O5' | C5' | H5' | 4.4° | 60.0° |
| P | O5' | C5' | H5'' | 123.7° | 60.0° |
| O5' | P | O1 | H4 | 114.5° | 59.9° |
| OP2 | P | O5' | C5' | 74.0° | 175.0° |
| OP2 | P | O1 | H4 | 131.1° | 60.1° |
| O5' | C5' | C4' | C3' | 113.3° | 175.0° |
| O5' | C5' | C4' | H5' | 120.4° | 120.0° |
| O5' | C5' | C4' | H5'' | 120.3° | 120.0° |
| O5' | C5' | C4' | O4' | 126.4° | 69.6° |
| C5' | O5' | P | O1 | 40.4° | 65.0° |
| O5' | C5' | H5' | H5'' | 118.9° | 120.0° |
| O5' | C5' | C4' | H4' | 5.9° | 52.8° |
| O2' | C2' | C3' | C4' | 95.0° | 118.7° |
| O2' | C2' | C3' | C1' | 119.8° | 118.7° |
| O2' | C2' | C3' | H2' | 123.2° | 122.6° |
| O2' | C2' | C3' | O3' | 145.2° | 122.6° |
| O2' | C2' | C1' | H2' | 123.4° | 122.6° |
| O2' | C2' | C1' | O4' | 98.8° | 142.7° |
| O2' | C2' | C1' | N9 | 139.7° | 98.4° |
| O2' | C2' | C1' | H1' | 20.2° | 23.9° |
| O2' | C2' | C3' | H3' | 21.7° | 0.1° |
| C3' | C4' | C5' | O4' | 120.4° | 115.4° |
| C3' | C4' | C5' | H4' | 119.1° | 122.2° |
| C3' | C4' | O4' | H4' | 118.8° | 118.8° |
| C4' | C3' | C2' | O3' | 119.8° | 118.7° |
| C4' | C3' | C2' | H3' | 116.7° | 118.7° |
| C4' | C3' | O3' | H3' | 122.3° | 122.6° |
| C4' | C3' | C2' | C1' | 24.8° | 0.0° |
| C3' | C4' | O4' | C1' | 9.2° | 40.5° |
| C3' | C4' | C5' | H5' | 126.4° | 65.0° |
| C3' | C4' | C5' | H5'' | 7.0° | 55.0° |
| C4' | C3' | C2' | H2' | 141.8° | 118.7° |
| C4' | C3' | O3' | H3 | 180.0° | 180.0° |
| C5' | C4' | O4' | H4' | 119.7° | 122.3° |
| C5' | C4' | C3' | C2' | 142.8° | 142.8° |
| C5' | C4' | C3' | O3' | 22.5° | 24.1° |
| C5' | C4' | O4' | C1' | 130.7° | 159.3° |
| C4' | C5' | H5' | H5'' | 119.0° | 120.0° |
| C5' | C4' | C3' | H3' | 100.6° | 98.5° |
| O4' | C4' | C3' | C2' | 21.7° | 24.0° |
| O4' | C4' | C3' | O3' | 98.6° | 94.7° |
| C4' | O4' | C1' | C2' | 7.6° | 40.5° |
| C4' | O4' | C1' | N9 | 114.1° | 159.3° |
| O4' | C4' | C5' | H5' | 6.0° | 50.4° |
| O4' | C4' | C5' | H5'' | 113.3° | 170.4° |
| C4' | O4' | C1' | H1' | 125.8° | 78.4° |
| O4' | C4' | C3' | H3' | 138.3° | 142.6° |
| C2' | C3' | O3' | H3' | 122.8° | 122.7° |
| C3' | C2' | C1' | H2' | 117.0° | 118.6° |
| C3' | C2' | C1' | O4' | 20.8° | 23.9° |
| C3' | C2' | C1' | N9 | 100.7° | 142.9° |
| C2' | C3' | C4' | H4' | 98.1° | 94.9° |
| C3' | C2' | C1' | H1' | 139.8° | 94.9° |
| C3' | C2' | O2' | HO2' | 180.0° | 65.3° |
| C2' | C3' | O3' | H3 | 65.1° | 65.3° |
| O3' | C3' | C2' | C1' | 95.0° | 118.7° |
| O3' | C3' | C4' | H4' | 141.6° | 146.3° |
| O3' | C3' | C2' | H2' | 22.0° | 0.0° |
| C2' | C1' | O4' | N9 | 121.6° | 118.9° |
| C2' | C1' | O4' | H1' | 118.3° | 118.9° |
| C2' | C1' | N9 | H1' | 119.1° | 122.3° |
| C2' | C1' | N9 | C8 | 105.0° | 91.9° |
| C2' | C1' | N9 | C4 | 75.4° | 88.4° |
| C1' | C2' | O2' | HO2' | 65.0° | 180.0° |
| C1' | C2' | C3' | H3' | 141.5° | 118.7° |
| O4' | C1' | N9 | H1' | 120.5° | 122.3° |
| O4' | C1' | N9 | C8 | 15.4° | 23.5° |
| O4' | C1' | N9 | C4 | 164.3° | 156.1° |
| C1' | O4' | C4' | H4' | 109.7° | 78.4° |
| O4' | C1' | C2' | H2' | 137.8° | 94.7° |
| C1' | N9 | C8 | C4 | 179.7° | 179.7° |
| C1' | N9 | C4 | N3 | 0.0° | 0.1° |
| C1' | N9 | C8 | N7 | 180.0° | 179.9° |
| C1' | N9 | C4 | C5 | 179.9° | 179.9° |
| C1' | N9 | C8 | H8 | 0.0° | 0.0° |
| N9 | C1' | C2' | H2' | 16.3° | 24.2° |
| C8 | N9 | C4 | N3 | 179.7° | 179.8° |
| N9 | C8 | N7 | H8 | 180.0° | 179.9° |
| C8 | N9 | C4 | C5 | 0.2° | 0.2° |
| N9 | C8 | N7 | C5 | 0.3° | 0.4° |
| C8 | N9 | C1' | H1' | 135.9° | 145.8° |
| N9 | C4 | N3 | C5 | 179.8° | 180.0° |
| N9 | C4 | N3 | C2 | 179.8° | 180.0° |
| C4 | N9 | C8 | N7 | 0.3° | 0.4° |
| N9 | C4 | C5 | N7 | 0.0° | 0.0° |
| N9 | C4 | C5 | C6 | 179.9° | 179.9° |
| C4 | N9 | C1' | H1' | 43.7° | 33.9° |
| C4 | N9 | C8 | H8 | 179.7° | 179.7° |
| C4 | N3 | C2 | N1 | 0.1° | 0.1° |
| N3 | C4 | C5 | N7 | 179.8° | 180.0° |
| N3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C4 | N3 | C2 | H2 | 179.9° | 180.0° |
| C2 | N3 | C4 | C5 | 0.0° | 0.0° |
| N3 | C2 | N1 | H2 | 180.0° | 179.9° |
| N3 | C2 | N1 | C6 | 0.1° | 0.1° |
| C8 | N7 | C5 | C4 | 0.1° | 0.3° |
| C8 | N7 | C5 | C6 | 179.6° | 179.8° |
| C4 | C5 | N7 | C6 | 179.8° | 179.9° |
| C4 | C5 | C6 | N1 | 0.0° | 0.1° |
| C4 | C5 | C6 | N6 | 179.5° | 180.0° |
| C2 | N1 | C6 | C5 | 0.0° | 0.0° |
| C2 | N1 | C6 | N6 | 179.5° | 180.0° |
| N7 | C5 | C6 | N1 | 179.8° | 180.0° |
| N7 | C5 | C6 | N6 | 0.3° | 0.1° |
| C5 | N7 | C8 | H8 | 179.7° | 179.7° |
| C5 | C6 | N1 | N6 | 179.5° | 180.0° |
| C5 | C6 | N6 | H61 | 179.5° | 180.0° |
| C5 | C6 | N6 | H62 | 59.5° | 0.0° |
| C6 | N1 | C2 | H2 | 179.9° | 180.0° |
| N1 | C6 | N6 | H61 | 0.0° | 0.0° |
| N1 | C6 | N6 | H62 | 120.0° | 180.0° |
| C6 | N6 | H61 | H62 | 120.0° | 180.0° |
| O1 | P | OP2 | H1 | 125.2° | 60.0° |
| H5' | C5' | C4' | H4' | 114.5° | 172.8° |
| H5'' | C5' | C4' | H4' | 126.2° | 67.2° |
| H4' | C4' | C3' | H3' | 18.6° | 23.7° |
| H1' | C1' | C2' | H2' | 103.2° | 146.4° |
| H2' | C2' | O2' | HO2' | 57.6° | 57.3° |
| H2' | C2' | C3' | H3' | 101.5° | 122.7° |
| H3' | C3' | O3' | H3 | 57.7° | 57.4° |
