A3S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| O5' | H5' | sing | 0.97Å | 0.95Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C5' | H5'1 | sing | 1.09Å | 1.12Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.45Å | 1.46Å | |
| C4' | C3' | sing | 1.54Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| O4' | C1' | sing | 1.44Å | 1.41Å | |
| C1' | N9 | sing | 1.47Å | 1.46Å | |
| C1' | C2' | sing | 1.54Å | 1.53Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
| C4 | N3 | sing | 1.33Å | 1.34Å | Aromatic |
| C4 | C5 | doub | 1.41Å | 1.38Å | Aromatic |
| N3 | C2 | doub | 1.32Å | 1.33Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| N1 | C6 | doub | 1.33Å | 1.35Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.33Å | |
| C6 | C5 | sing | 1.41Å | 1.41Å | Aromatic |
| N6 | HN61 | sing | 0.97Å | 1.02Å | |
| N6 | HN62 | sing | 0.97Å | 1.02Å | |
| C5 | N7 | sing | 1.35Å | 1.39Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.31Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C2' | O2' | sing | 1.43Å | 1.41Å | |
| C2' | C3' | sing | 1.54Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.11Å | |
| O2' | H1 | sing | 0.97Å | 0.95Å | |
| C3' | N8 | sing | 1.46Å | 1.42Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| N8 | C | sing | 1.35Å | 1.42Å | |
| N8 | HN8 | sing | 0.97Å | 1.02Å | |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | HN1 | sing | 1.01Å | 1.02Å | |
| N | HN2 | sing | 1.01Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| CB | OG | sing | 1.43Å | 1.42Å | |
| CB | HB1 | sing | 1.09Å | 1.11Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| OG | HOG | sing | 0.97Å | 0.95Å | |
| C | O | doub | 1.21Å | 1.23Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5' | O5' | H5' | 110.2° | 106.8° |
| O5' | C5' | C4' | 110.2° | 109.5° |
| O5' | C5' | H5'1 | 111.9° | 109.5° |
| O5' | C5' | H5'2 | 111.9° | 109.5° |
| C4' | C5' | H5'1 | 111.9° | 109.4° |
| C4' | C5' | H5'2 | 111.9° | 109.4° |
| C5' | C4' | O4' | 108.9° | 110.4° |
| C5' | C4' | C3' | 115.2° | 110.7° |
| C5' | C4' | H4' | 104.9° | 110.3° |
| H5'1 | C5' | H5'2 | 98.5° | 109.5° |
| O4' | C4' | C3' | 106.1° | 104.7° |
| O4' | C4' | H4' | 114.2° | 110.3° |
| C4' | O4' | C1' | 109.7° | 105.4° |
| C3' | C4' | H4' | 107.8° | 110.3° |
| C4' | C3' | C2' | 102.8° | 104.2° |
| C4' | C3' | N8 | 113.4° | 110.5° |
| C4' | C3' | H3' | 110.6° | 110.5° |
| O4' | C1' | N9 | 108.2° | 110.5° |
| O4' | C1' | C2' | 106.1° | 104.8° |
| O4' | C1' | H1' | 113.7° | 110.3° |
| N9 | C1' | C2' | 112.9° | 110.4° |
| N9 | C1' | H1' | 106.9° | 110.3° |
| C1' | N9 | C4 | 126.5° | 126.3° |
| C1' | N9 | C8 | 127.7° | 126.2° |
| C2' | C1' | H1' | 109.2° | 110.4° |
| C1' | C2' | O2' | 110.4° | 110.6° |
| C1' | C2' | C3' | 101.3° | 104.0° |
| C1' | C2' | H2' | 115.4° | 110.6° |
| C4 | N9 | C8 | 105.8° | 107.5° |
| N9 | C4 | N3 | 127.4° | 134.9° |
| N9 | C4 | C5 | 105.8° | 106.0° |
| N9 | C8 | N7 | 113.8° | 109.9° |
| N9 | C8 | H8 | 125.2° | 125.1° |
| N3 | C4 | C5 | 126.8° | 119.1° |
| C4 | N3 | C2 | 110.7° | 120.6° |
| C4 | C5 | C6 | 117.1° | 118.2° |
| C4 | C5 | N7 | 110.7° | 107.1° |
| N3 | C2 | N1 | 129.3° | 122.5° |
| N3 | C2 | H2 | 115.0° | 118.7° |
| N1 | C2 | H2 | 115.7° | 118.8° |
| C2 | N1 | C6 | 118.5° | 121.2° |
| N1 | C6 | N6 | 118.6° | 120.8° |
| N1 | C6 | C5 | 117.7° | 118.4° |
| N6 | C6 | C5 | 123.7° | 120.8° |
| C6 | N6 | HN61 | 108.9° | 120.0° |
| C6 | N6 | HN62 | 118.6° | 120.0° |
| C6 | C5 | N7 | 132.3° | 134.7° |
| HN61 | N6 | HN62 | 108.9° | 120.0° |
| C5 | N7 | C8 | 103.9° | 109.5° |
| N7 | C8 | H8 | 121.0° | 125.0° |
| O2' | C2' | C3' | 113.1° | 110.5° |
| O2' | C2' | H2' | 104.2° | 110.4° |
| C2' | O2' | H1 | 110.4° | 106.8° |
| C3' | C2' | H2' | 112.8° | 110.5° |
| C2' | C3' | N8 | 107.2° | 110.6° |
| C2' | C3' | H3' | 116.5° | 110.5° |
| N8 | C3' | H3' | 106.5° | 110.4° |
| C3' | N8 | C | 117.1° | 120.0° |
| C3' | N8 | HN8 | 121.4° | 119.9° |
| C | N8 | HN8 | 121.4° | 120.0° |
| N8 | C | CA | 115.8° | 120.0° |
| N8 | C | O | 123.2° | 120.0° |
| CA | N | HN1 | 112.1° | 106.7° |
| CA | N | HN2 | 109.8° | 106.7° |
| N | CA | CB | 109.8° | 109.5° |
| N | CA | C | 111.0° | 109.5° |
| N | CA | HA | 108.5° | 109.4° |
| HN1 | N | HN2 | 112.1° | 106.6° |
| CB | CA | C | 110.3° | 109.5° |
| CB | CA | HA | 109.3° | 109.4° |
| CA | CB | OG | 111.0° | 109.5° |
| CA | CB | HB1 | 111.6° | 109.5° |
| CA | CB | HB2 | 111.6° | 109.5° |
| C | CA | HA | 108.0° | 109.5° |
| CA | C | O | 121.0° | 120.0° |
| OG | CB | HB1 | 111.6° | 109.4° |
| OG | CB | HB2 | 111.6° | 109.5° |
| CB | OG | HOG | 111.1° | 106.9° |
| HB1 | CB | HB2 | 98.8° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5' | C5' | C4' | H5'1 | 125.3° | 120.0° |
| O5' | C5' | C4' | H5'2 | 125.3° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 117.9° | 120.0° |
| O5' | C5' | C4' | O4' | 61.1° | 66.4° |
| O5' | C5' | C4' | C3' | 58.0° | 178.1° |
| O5' | C5' | C4' | H4' | 176.3° | 55.8° |
| H5' | O5' | C5' | C4' | 180.0° | 180.0° |
| H5' | O5' | C5' | H5'1 | 54.7° | 60.0° |
| H5' | O5' | C5' | H5'2 | 54.7° | 60.0° |
| C4' | C5' | H5'1 | H5'2 | 117.9° | 119.9° |
| C5' | C4' | O4' | C3' | 124.6° | 119.2° |
| C5' | C4' | O4' | H4' | 116.8° | 122.2° |
| C5' | C4' | C3' | H4' | 116.7° | 122.4° |
| C5' | C4' | O4' | C1' | 121.8° | 159.5° |
| C5' | C4' | C3' | C2' | 95.9° | 142.7° |
| C5' | C4' | C3' | N8 | 148.7° | 98.5° |
| C5' | C4' | C3' | H3' | 29.1° | 24.0° |
| H5'1 | C5' | C4' | O4' | 64.2° | 173.5° |
| H5'1 | C5' | C4' | C3' | 176.8° | 58.1° |
| H5'1 | C5' | C4' | H4' | 58.4° | 64.3° |
| H5'2 | C5' | C4' | O4' | 173.7° | 53.6° |
| H5'2 | C5' | C4' | C3' | 67.3° | 61.9° |
| H5'2 | C5' | C4' | H4' | 51.0° | 175.8° |
| O4' | C4' | C3' | H4' | 122.7° | 118.7° |
| C4' | O4' | C1' | N9 | 142.0° | 159.3° |
| C4' | O4' | C1' | C2' | 20.6° | 40.4° |
| C4' | O4' | C1' | H1' | 99.3° | 78.4° |
| O4' | C4' | C3' | C2' | 24.7° | 23.7° |
| O4' | C4' | C3' | N8 | 90.7° | 142.5° |
| O4' | C4' | C3' | H3' | 149.7° | 95.0° |
| C3' | C4' | O4' | C1' | 2.7° | 40.3° |
| C4' | C3' | C2' | C1' | 35.6° | 0.1° |
| C4' | C3' | C2' | O2' | 153.7° | 118.9° |
| C4' | C3' | C2' | N8 | 119.8° | 118.8° |
| C4' | C3' | C2' | H3' | 121.1° | 118.7° |
| C4' | C3' | C2' | H2' | 88.4° | 118.6° |
| C4' | C3' | N8 | H3' | 121.9° | 122.5° |
| C4' | C3' | N8 | C | 66.1° | 88.3° |
| C4' | C3' | N8 | HN8 | 113.9° | 91.8° |
| H4' | C4' | O4' | C1' | 121.3° | 78.4° |
| H4' | C4' | C3' | C2' | 147.4° | 94.9° |
| H4' | C4' | C3' | N8 | 32.0° | 23.9° |
| H4' | C4' | C3' | H3' | 87.6° | 146.4° |
| O4' | C1' | N9 | C2' | 117.1° | 115.5° |
| O4' | C1' | N9 | H1' | 122.9° | 122.3° |
| O4' | C1' | C2' | H1' | 122.9° | 118.8° |
| O4' | C1' | N9 | C4 | 132.2° | 159.8° |
| O4' | C1' | N9 | C8 | 48.2° | 20.5° |
| O4' | C1' | C2' | O2' | 155.3° | 142.6° |
| O4' | C1' | C2' | C3' | 35.2° | 24.0° |
| O4' | C1' | C2' | H2' | 87.0° | 94.7° |
| N9 | C1' | C2' | H1' | 118.8° | 122.2° |
| C1' | N9 | C4 | C8 | 179.7° | 179.7° |
| C1' | N9 | C4 | N3 | 0.5° | 0.8° |
| C1' | N9 | C4 | C5 | 179.3° | 179.9° |
| C1' | N9 | C8 | N7 | 179.3° | 180.0° |
| C1' | N9 | C8 | H8 | 0.7° | 0.1° |
| N9 | C1' | C2' | O2' | 86.3° | 98.4° |
| N9 | C1' | C2' | C3' | 153.6° | 143.0° |
| N9 | C1' | C2' | H2' | 31.4° | 24.3° |
| C2' | C1' | N9 | C4 | 110.7° | 84.7° |
| C2' | C1' | N9 | C8 | 68.9° | 94.9° |
| C1' | C2' | O2' | C3' | 112.7° | 114.7° |
| C1' | C2' | O2' | H2' | 124.4° | 122.7° |
| C1' | C2' | C3' | H2' | 124.0° | 118.7° |
| C1' | C2' | O2' | H1 | 180.0° | 65.3° |
| C1' | C2' | C3' | N8 | 84.2° | 118.6° |
| C1' | C2' | C3' | H3' | 156.7° | 118.8° |
| H1' | C1' | N9 | C4 | 9.3° | 37.6° |
| H1' | C1' | N9 | C8 | 171.1° | 142.8° |
| H1' | C1' | C2' | O2' | 32.4° | 23.8° |
| H1' | C1' | C2' | C3' | 87.6° | 94.8° |
| H1' | C1' | C2' | H2' | 150.2° | 146.5° |
| N9 | C4 | N3 | C5 | 179.7° | 179.1° |
| N9 | C4 | N3 | C2 | 179.6° | 179.6° |
| N9 | C4 | C5 | C6 | 179.5° | 179.8° |
| N9 | C4 | C5 | N7 | 0.3° | 0.4° |
| C4 | N9 | C8 | N7 | 0.4° | 0.3° |
| C4 | N9 | C8 | H8 | 179.6° | 179.8° |
| C8 | N9 | C4 | N3 | 179.8° | 179.5° |
| C8 | N9 | C4 | C5 | 0.4° | 0.4° |
| N9 | C8 | N7 | C5 | 0.2° | 0.0° |
| N9 | C8 | N7 | H8 | 180.0° | 179.9° |
| C4 | N3 | C2 | N1 | 0.0° | 0.3° |
| C4 | N3 | C2 | H2 | 179.9° | 179.8° |
| N3 | C4 | C5 | C6 | 0.2° | 0.5° |
| N3 | C4 | C5 | N7 | 179.9° | 179.7° |
| C5 | C4 | N3 | C2 | 0.1° | 0.5° |
| C4 | C5 | C6 | N1 | 0.2° | 0.3° |
| C4 | C5 | C6 | N6 | 179.6° | 179.7° |
| C4 | C5 | C6 | N7 | 179.8° | 179.7° |
| C4 | C5 | N7 | C8 | 0.1° | 0.2° |
| N3 | C2 | N1 | H2 | 180.0° | 180.0° |
| N3 | C2 | N1 | C6 | 0.0° | 0.0° |
| C2 | N1 | C6 | N6 | 179.7° | 180.0° |
| C2 | N1 | C6 | C5 | 0.2° | 0.0° |
| H2 | C2 | N1 | C6 | 180.0° | 180.0° |
| N1 | C6 | N6 | C5 | 179.9° | 180.0° |
| N1 | C6 | N6 | HN61 | 54.7° | 180.0° |
| N1 | C6 | N6 | HN62 | 180.0° | 0.0° |
| N1 | C6 | C5 | N7 | 179.9° | 180.0° |
| C6 | N6 | HN61 | HN62 | 130.7° | 180.0° |
| N6 | C6 | C5 | N7 | 0.2° | 0.0° |
| C5 | C6 | N6 | HN61 | 125.4° | 0.0° |
| C5 | C6 | N6 | HN62 | 0.1° | 180.0° |
| C6 | C5 | N7 | C8 | 179.7° | 180.0° |
| C5 | N7 | C8 | H8 | 179.8° | 180.0° |
| O2' | C2' | C3' | H2' | 117.9° | 122.5° |
| O2' | C2' | C3' | N8 | 34.0° | 0.1° |
| O2' | C2' | C3' | H3' | 85.1° | 122.5° |
| C3' | C2' | O2' | H1 | 67.3° | 180.0° |
| C2' | C3' | N8 | H3' | 125.4° | 122.6° |
| C2' | C3' | N8 | C | 178.8° | 156.9° |
| C2' | C3' | N8 | HN8 | 1.2° | 23.1° |
| H2' | C2' | O2' | H1 | 55.6° | 57.4° |
| H2' | C2' | C3' | N8 | 151.9° | 122.6° |
| H2' | C2' | C3' | H3' | 32.8° | 0.1° |
| C3' | N8 | C | HN8 | 180.0° | 180.0° |
| C3' | N8 | C | CA | 177.7° | 180.0° |
| C3' | N8 | C | O | 2.0° | 0.0° |
| H3' | C3' | N8 | C | 55.8° | 34.3° |
| H3' | C3' | N8 | HN8 | 124.2° | 145.7° |
| N8 | C | CA | N | 10.5° | 160.0° |
| N8 | C | CA | CB | 132.4° | 80.0° |
| N8 | C | CA | O | 179.7° | 180.0° |
| N8 | C | CA | HA | 108.3° | 40.0° |
| HN8 | N8 | C | CA | 2.3° | 0.0° |
| HN8 | N8 | C | O | 178.0° | 179.9° |
| CA | N | HN1 | HN2 | 124.0° | 113.7° |
| N | CA | CB | C | 122.6° | 120.0° |
| N | CA | CB | HA | 118.8° | 119.9° |
| N | CA | C | HA | 118.8° | 120.0° |
| N | CA | CB | OG | 45.7° | 65.0° |
| N | CA | CB | HB1 | 79.5° | 55.1° |
| N | CA | CB | HB2 | 171.0° | 175.0° |
| N | CA | C | O | 169.8° | 20.0° |
| HN1 | N | CA | CB | 54.7° | 173.8° |
| HN1 | N | CA | C | 176.9° | 53.7° |
| HN1 | N | CA | HA | 64.6° | 66.3° |
| HN2 | N | CA | CB | 180.0° | 60.1° |
| HN2 | N | CA | C | 57.8° | 59.9° |
| HN2 | N | CA | HA | 60.7° | 180.0° |
| CB | CA | C | HA | 119.3° | 120.0° |
| CA | CB | OG | HB1 | 125.3° | 120.1° |
| CA | CB | OG | HB2 | 125.2° | 120.1° |
| CA | CB | HB1 | HB2 | 117.5° | 120.0° |
| CA | CB | OG | HOG | 180.0° | 180.0° |
| CB | CA | C | O | 47.9° | 100.0° |
| C | CA | CB | OG | 76.9° | 175.0° |
| C | CA | CB | HB1 | 157.8° | 65.0° |
| C | CA | CB | HB2 | 48.4° | 55.0° |
| HA | CA | CB | OG | 164.6° | 55.0° |
| HA | CA | CB | HB1 | 39.3° | 175.0° |
| HA | CA | CB | HB2 | 70.2° | 65.1° |
| HA | CA | C | O | 71.4° | 140.0° |
| OG | CB | HB1 | HB2 | 117.6° | 119.9° |
| HB1 | CB | OG | HOG | 54.7° | 59.9° |
| HB2 | CB | OG | HOG | 54.8° | 59.9° |
