AT4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5' | PA | sing | 1.62Å | 1.61Å | |
| O5' | C5' | sing | 1.42Å | 1.43Å | |
| C5' | C4' | sing | 1.52Å | 1.53Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| C4' | C3' | sing | 1.52Å | 1.53Å | |
| C4' | O4' | sing | 1.45Å | 1.44Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.44Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C2' | sing | 1.52Å | 1.53Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.41Å | 1.43Å | |
| C2' | C1' | sing | 1.52Å | 1.53Å | |
| C2' | H2' | sing | 1.10Å | 1.10Å | |
| C1' | N9 | sing | 1.46Å | 1.48Å | |
| C1' | H1' | sing | 1.10Å | 1.10Å | |
| N1 | C2 | doub | 1.35Å | 1.32Å | Aromatic |
| N1 | C6 | sing | 1.35Å | 1.34Å | Aromatic |
| C2 | N3 | sing | 1.35Å | 1.32Å | Aromatic |
| C2 | H2 | sing | 1.09Å | 1.08Å | |
| N3 | C4 | doub | 1.34Å | 1.34Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.33Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | N7 | sing | 1.37Å | 1.33Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | N6 | sing | 1.41Å | 1.33Å | |
| N6 | HN61 | sing | 1.00Å | 1.00Å | |
| N6 | HN62 | sing | 1.00Å | 1.00Å | |
| N7 | C8 | doub | 1.32Å | 1.33Å | Aromatic |
| C8 | N9 | sing | 1.37Å | 1.33Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| PA | O2A | doub | 1.50Å | 1.61Å | |
| PA | O3A | sing | 1.62Å | 1.61Å | |
| PA | O1A | sing | 1.62Å | 1.48Å | |
| O1A | HO1A | sing | 0.98Å | 0.95Å | |
| O3A | PB | sing | 1.62Å | 1.61Å | |
| PB | S3B | sing | 2.10Å | 1.93Å | |
| PB | O1B | doub | 1.51Å | 1.48Å | |
| PB | O2B | sing | 1.62Å | 1.48Å | |
| O2B | HO2B | sing | 0.98Å | 0.95Å | |
| S3B | HS3B | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| PA | O5' | C5' | 119.7° | 120.0° |
| O5' | PA | O2A | 105.7° | 115.2° |
| O5' | PA | O3A | 105.3° | 103.1° |
| O5' | PA | O1A | 112.8° | 104.7° |
| O5' | C5' | C4' | 112.0° | 108.7° |
| O5' | C5' | H5'1 | 108.7° | 109.2° |
| O5' | C5' | H5'2 | 108.1° | 109.2° |
| C4' | C5' | H5'1 | 108.6° | 110.1° |
| C4' | C5' | H5'2 | 108.1° | 110.1° |
| C5' | C4' | C3' | 110.6° | 112.9° |
| C5' | C4' | O4' | 107.6° | 108.4° |
| C5' | C4' | H4' | 108.8° | 109.3° |
| H5'1 | C5' | H5'2 | 111.4° | 109.5° |
| C3' | C4' | O4' | 105.8° | 106.4° |
| C3' | C4' | H4' | 110.5° | 112.1° |
| C4' | C3' | O3' | 111.0° | 108.8° |
| C4' | C3' | C2' | 100.6° | 102.3° |
| C4' | C3' | H3' | 114.2° | 114.5° |
| O4' | C4' | H4' | 113.4° | 107.6° |
| C4' | O4' | C1' | 107.9° | 108.8° |
| O4' | C1' | C2' | 104.2° | 106.1° |
| O4' | C1' | N9 | 112.3° | 109.7° |
| O4' | C1' | H1' | 112.4° | 108.9° |
| O3' | C3' | C2' | 109.3° | 109.5° |
| O3' | C3' | H3' | 106.1° | 107.7° |
| C3' | O3' | HO3' | 109.5° | 106.4° |
| C2' | C3' | H3' | 115.7° | 113.8° |
| C3' | C2' | O2' | 111.3° | 113.1° |
| C3' | C2' | C1' | 98.0° | 101.5° |
| C3' | C2' | H2' | 115.6° | 110.3° |
| O2' | C2' | C1' | 109.4° | 111.9° |
| O2' | C2' | H2' | 105.3° | 108.9° |
| C2' | O2' | HO2' | 109.5° | 107.3° |
| C1' | C2' | H2' | 117.3° | 111.1° |
| C2' | C1' | N9 | 112.9° | 114.0° |
| C2' | C1' | H1' | 111.7° | 112.6° |
| N9 | C1' | H1' | 103.6° | 105.3° |
| C1' | N9 | C4 | 126.1° | 126.9° |
| C1' | N9 | C8 | 125.8° | 126.1° |
| C2 | N1 | C6 | 120.9° | 117.5° |
| N1 | C2 | N3 | 121.9° | 128.8° |
| N1 | C2 | H2 | 119.1° | 115.5° |
| N1 | C6 | C5 | 118.9° | 119.0° |
| N1 | C6 | N6 | 120.4° | 120.2° |
| N3 | C2 | H2 | 119.1° | 115.6° |
| C2 | N3 | C4 | 120.5° | 110.4° |
| N3 | C4 | N9 | 133.6° | 127.5° |
| N3 | C4 | C5 | 119.4° | 127.3° |
| N9 | C4 | C5 | 107.0° | 105.2° |
| C4 | N9 | C8 | 108.1° | 107.0° |
| C4 | C5 | N7 | 107.4° | 110.7° |
| C4 | C5 | C6 | 118.5° | 116.9° |
| N7 | C5 | C6 | 134.2° | 132.4° |
| C5 | N7 | C8 | 107.9° | 104.9° |
| C5 | C6 | N6 | 120.6° | 120.7° |
| C6 | N6 | HN61 | 109.5° | 119.4° |
| C6 | N6 | HN62 | 109.5° | 119.5° |
| HN61 | N6 | HN62 | 109.5° | 120.8° |
| N7 | C8 | N9 | 109.6° | 112.2° |
| N7 | C8 | H8 | 125.2° | 125.6° |
| N9 | C8 | H8 | 125.2° | 122.2° |
| O2A | PA | O3A | 106.0° | 114.6° |
| O2A | PA | O1A | 113.0° | 114.3° |
| O3A | PA | O1A | 113.3° | 103.6° |
| PA | O3A | PB | 121.7° | 131.4° |
| PA | O1A | HO1A | 109.5° | 118.9° |
| O3A | PB | S3B | 103.1° | 109.0° |
| O3A | PB | O1B | 108.2° | 113.2° |
| O3A | PB | O2B | 107.8° | 101.9° |
| S3B | PB | O1B | 109.4° | 111.1° |
| S3B | PB | O2B | 109.1° | 109.1° |
| PB | S3B | HS3B | 109.5° | 98.0° |
| O1B | PB | O2B | 118.3° | 112.1° |
| PB | O2B | HO2B | 109.5° | 118.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| PA | O5' | C5' | C4' | 177.9° | 180.0° |
| PA | O5' | C5' | H5'1 | 57.9° | 59.9° |
| PA | O5' | C5' | H5'2 | 63.2° | 59.8° |
| O5' | PA | O2A | O3A | 111.5° | 119.3° |
| O5' | PA | O2A | O1A | 123.8° | 121.3° |
| O5' | PA | O3A | O1A | 123.7° | 108.9° |
| O5' | PA | O1A | HO1A | 57.4° | 173.0° |
| O5' | PA | O3A | PB | 164.2° | 174.0° |
| O5' | C5' | C4' | H5'1 | 120.0° | 119.6° |
| O5' | C5' | C4' | H5'2 | 118.9° | 119.6° |
| O5' | C5' | H5'1 | H5'2 | 119.0° | 119.5° |
| O5' | C5' | C4' | C3' | 53.8° | 179.5° |
| O5' | C5' | C4' | O4' | 61.3° | 61.9° |
| O5' | C5' | C4' | H4' | 175.4° | 55.1° |
| C5' | O5' | PA | O2A | 163.9° | 180.0° |
| C5' | O5' | PA | O3A | 51.8° | 54.5° |
| C5' | O5' | PA | O1A | 72.1° | 53.6° |
| C4' | C5' | H5'1 | H5'2 | 119.0° | 121.2° |
| C5' | C4' | C3' | O4' | 116.3° | 118.8° |
| C5' | C4' | C3' | H4' | 120.6° | 123.9° |
| C5' | C4' | O4' | H4' | 120.4° | 118.0° |
| C5' | C4' | O4' | C1' | 114.7° | 114.3° |
| C5' | C4' | C3' | O3' | 159.7° | 154.1° |
| C5' | C4' | C3' | C2' | 84.7° | 90.2° |
| C5' | C4' | C3' | H3' | 39.9° | 33.5° |
| H5'1 | C5' | C4' | C3' | 66.2° | 59.9° |
| H5'1 | C5' | C4' | O4' | 178.6° | 57.7° |
| H5'1 | C5' | C4' | H4' | 55.4° | 174.6° |
| H5'2 | C5' | C4' | C3' | 172.8° | 60.9° |
| H5'2 | C5' | C4' | O4' | 57.6° | 178.6° |
| H5'2 | C5' | C4' | H4' | 65.7° | 64.5° |
| C3' | C4' | O4' | H4' | 121.3° | 120.3° |
| C3' | C4' | O4' | C1' | 3.6° | 7.4° |
| C4' | C3' | O3' | C2' | 110.1° | 111.1° |
| C4' | C3' | O3' | H3' | 124.5° | 124.6° |
| C4' | C3' | C2' | H3' | 123.5° | 124.1° |
| C4' | C3' | O3' | HO3' | 178.2° | 0.4° |
| C4' | C3' | C2' | O2' | 159.7° | 157.4° |
| C4' | C3' | C2' | C1' | 45.1° | 37.4° |
| C4' | C3' | C2' | H2' | 80.3° | 80.4° |
| O4' | C4' | C3' | O3' | 84.0° | 87.2° |
| O4' | C4' | C3' | C2' | 31.6° | 28.6° |
| O4' | C4' | C3' | H3' | 156.2° | 152.3° |
| C4' | O4' | C1' | C2' | 26.2° | 16.9° |
| C4' | O4' | C1' | N9 | 148.8° | 140.6° |
| C4' | O4' | C1' | H1' | 94.9° | 104.6° |
| H4' | C4' | O4' | C1' | 124.9° | 127.7° |
| H4' | C4' | C3' | O3' | 39.1° | 30.1° |
| H4' | C4' | C3' | C2' | 154.7° | 145.9° |
| H4' | C4' | C3' | H3' | 80.7° | 90.4° |
| O4' | C1' | C2' | C3' | 44.7° | 34.2° |
| O4' | C1' | C2' | O2' | 160.7° | 155.0° |
| O4' | C1' | C2' | N9 | 122.1° | 120.9° |
| O4' | C1' | C2' | H1' | 121.6° | 119.1° |
| O4' | C1' | C2' | H2' | 79.5° | 83.0° |
| O4' | C1' | N9 | H1' | 121.5° | 117.1° |
| O4' | C1' | N9 | C4 | 115.7° | 147.1° |
| O4' | C1' | N9 | C8 | 63.6° | 32.9° |
| O3' | C3' | C2' | H3' | 119.7° | 120.6° |
| O3' | C3' | C2' | O2' | 42.8° | 42.1° |
| O3' | C3' | C2' | C1' | 71.7° | 77.9° |
| O3' | C3' | C2' | H2' | 162.9° | 164.3° |
| C2' | C3' | O3' | HO3' | 71.8° | 110.7° |
| C3' | C2' | O2' | C1' | 107.2° | 113.8° |
| C3' | C2' | O2' | H2' | 125.9° | 123.0° |
| C3' | C2' | C1' | H2' | 124.3° | 117.3° |
| C3' | C2' | C1' | N9 | 166.9° | 155.2° |
| C3' | C2' | C1' | H1' | 76.8° | 84.9° |
| C3' | C2' | O2' | HO2' | 107.3° | 34.4° |
| H3' | C3' | O3' | HO3' | 53.6° | 125.0° |
| H3' | C3' | C2' | O2' | 76.8° | 78.5° |
| H3' | C3' | C2' | C1' | 168.6° | 161.5° |
| H3' | C3' | C2' | H2' | 43.2° | 43.7° |
| O2' | C2' | C1' | H2' | 119.7° | 121.9° |
| O2' | C2' | C1' | N9 | 77.1° | 84.0° |
| O2' | C2' | C1' | H1' | 39.2° | 35.9° |
| C2' | C1' | N9 | H1' | 121.0° | 124.0° |
| C2' | C1' | N9 | C4 | 126.8° | 94.0° |
| C2' | C1' | N9 | C8 | 53.9° | 86.0° |
| C1' | C2' | O2' | HO2' | 0.1° | 148.3° |
| H2' | C2' | C1' | N9 | 42.6° | 37.9° |
| H2' | C2' | C1' | H1' | 158.9° | 157.8° |
| H2' | C2' | O2' | HO2' | 126.7° | 88.6° |
| C1' | N9 | C4 | N3 | 0.4° | 0.0° |
| C1' | N9 | C4 | C8 | 179.4° | 179.9° |
| C1' | N9 | C4 | C5 | 179.3° | 179.9° |
| C1' | N9 | C8 | N7 | 179.3° | 180.0° |
| C1' | N9 | C8 | H8 | 0.7° | 0.1° |
| H1' | C1' | N9 | C4 | 5.8° | 29.9° |
| H1' | C1' | N9 | C8 | 175.0° | 150.0° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.1° | 0.0° |
| C2 | N1 | C6 | C5 | 0.1° | 0.0° |
| C2 | N1 | C6 | N6 | 179.9° | 180.0° |
| C6 | N1 | C2 | N3 | 0.0° | 0.0° |
| C6 | N1 | C2 | H2 | 180.0° | 180.0° |
| N1 | C6 | C5 | C4 | 0.1° | 0.0° |
| N1 | C6 | C5 | N7 | 179.6° | 180.0° |
| N1 | C6 | C5 | N6 | 179.9° | 180.0° |
| N1 | C6 | N6 | HN61 | 81.5° | 177.9° |
| N1 | C6 | N6 | HN62 | 158.4° | 4.1° |
| C2 | N3 | C4 | N9 | 179.5° | 180.0° |
| C2 | N3 | C4 | C5 | 0.1° | 0.0° |
| H2 | C2 | N3 | C4 | 179.9° | 180.0° |
| N3 | C4 | N9 | C5 | 179.6° | 180.0° |
| N3 | C4 | C5 | N7 | 179.8° | 180.0° |
| N3 | C4 | C5 | C6 | 0.0° | 0.0° |
| N3 | C4 | N9 | C8 | 179.7° | 180.0° |
| N9 | C4 | C5 | N7 | 0.1° | 0.0° |
| N9 | C4 | C5 | C6 | 179.7° | 180.0° |
| C4 | N9 | C8 | N7 | 0.0° | 0.0° |
| C4 | N9 | C8 | H8 | 180.0° | 180.0° |
| C4 | C5 | N7 | C6 | 179.7° | 179.9° |
| C4 | C5 | C6 | N6 | 180.0° | 180.0° |
| C4 | C5 | N7 | C8 | 0.1° | 0.0° |
| C5 | C4 | N9 | C8 | 0.1° | 0.0° |
| N7 | C5 | C6 | N6 | 0.3° | 0.1° |
| C5 | N7 | C8 | N9 | 0.0° | 0.0° |
| C5 | N7 | C8 | H8 | 180.0° | 180.0° |
| C5 | C6 | N6 | HN61 | 98.4° | 2.1° |
| C5 | C6 | N6 | HN62 | 21.6° | 175.8° |
| C6 | C5 | N7 | C8 | 179.6° | 180.0° |
| C6 | N6 | HN61 | HN62 | 120.0° | 173.6° |
| N7 | C8 | N9 | H8 | 180.0° | 179.9° |
| O2A | PA | O3A | O1A | 124.5° | 125.2° |
| O2A | PA | O1A | HO1A | 177.3° | 46.1° |
| O2A | PA | O3A | PB | 52.4° | 60.0° |
| O3A | PA | O1A | HO1A | 62.1° | 79.3° |
| PA | O3A | PB | S3B | 108.1° | 175.8° |
| PA | O3A | PB | O1B | 7.7° | 60.0° |
| PA | O3A | PB | O2B | 136.6° | 60.5° |
| O1A | PA | O3A | PB | 72.1° | 65.2° |
| O3A | PB | S3B | O1B | 114.9° | 125.4° |
| O3A | PB | S3B | O2B | 114.3° | 110.5° |
| O3A | PB | O1B | O2B | 122.7° | 114.6° |
| O3A | PB | O2B | HO2B | 134.3° | 168.9° |
| O3A | PB | S3B | HS3B | 112.8° | 130.9° |
| S3B | PB | O1B | O2B | 125.7° | 122.4° |
| S3B | PB | O2B | HO2B | 23.0° | 75.9° |
| O1B | PB | O2B | HO2B | 102.8° | 47.6° |
| O1B | PB | S3B | HS3B | 2.1° | 5.4° |
| O2B | PB | S3B | HS3B | 132.9° | 118.7° |
