A3G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.36Å | |
| C | N8 | sing | 1.35Å | 1.33Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| N1 | C2 | doub | 1.32Å | 1.32Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.34Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.32Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.39Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.33Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.39Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.33Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.33Å | |
| N7 | C8 | doub | 1.30Å | 1.33Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.33Å | Aromatic |
| N8 | C3' | sing | 1.47Å | 1.47Å | |
| N9 | C1' | sing | 1.46Å | 1.48Å | |
| C1' | C2' | sing | 1.55Å | 1.53Å | |
| C1' | O4' | sing | 1.44Å | 1.44Å | |
| C2' | O2' | sing | 1.43Å | 1.43Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| C3' | C4' | sing | 1.54Å | 1.53Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| N | HNA | sing | 1.01Å | 1.00Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| N6 | HN6A | sing | 0.97Å | 1.00Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N8 | HN8 | sing | 0.97Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CA | HAA | sing | 1.09Å | 1.10Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| O5' | HO5' | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | N8 | 124.1° | 120.0° |
| O | C | CA | 117.8° | 120.0° |
| N8 | C | CA | 118.1° | 120.0° |
| C | N8 | C3' | 123.2° | 120.0° |
| C | N8 | HN8 | 118.4° | 120.0° |
| C | CA | N | 109.8° | 109.5° |
| C | CA | HA | 109.4° | 109.5° |
| C | CA | HAA | 109.4° | 109.4° |
| CA | N | HN | 109.5° | 111.0° |
| CA | N | HNA | 109.5° | 110.9° |
| N | CA | HA | 109.3° | 109.5° |
| N | CA | HAA | 109.3° | 109.5° |
| C2 | N1 | C6 | 120.9° | 121.2° |
| N1 | C2 | N3 | 121.9° | 122.5° |
| N1 | C2 | H2 | 119.1° | 118.8° |
| N1 | C6 | C5 | 118.9° | 118.5° |
| N1 | C6 | N6 | 120.8° | 120.8° |
| C2 | N3 | C4 | 120.6° | 120.7° |
| N3 | C2 | H2 | 119.0° | 118.8° |
| N3 | C4 | C5 | 119.2° | 119.1° |
| N3 | C4 | N9 | 133.8° | 134.9° |
| C5 | C4 | N9 | 107.0° | 106.0° |
| C4 | C5 | C6 | 118.6° | 118.1° |
| C4 | C5 | N7 | 107.6° | 107.2° |
| C4 | N9 | C8 | 108.0° | 107.5° |
| C4 | N9 | C1' | 127.1° | 126.3° |
| C6 | C5 | N7 | 133.8° | 134.7° |
| C5 | C6 | N6 | 120.3° | 120.8° |
| C5 | N7 | C8 | 107.6° | 109.4° |
| C6 | N6 | HN6 | 109.5° | 120.0° |
| C6 | N6 | HN6A | 109.4° | 119.9° |
| N7 | C8 | N9 | 109.8° | 110.0° |
| N7 | C8 | H8 | 125.1° | 125.0° |
| C8 | N9 | C1' | 124.7° | 126.3° |
| N9 | C8 | H8 | 125.1° | 125.0° |
| N8 | C3' | C2' | 112.7° | 110.5° |
| N8 | C3' | C4' | 110.4° | 110.5° |
| C3' | N8 | HN8 | 118.4° | 120.0° |
| N8 | C3' | H3' | 104.1° | 110.4° |
| N9 | C1' | C2' | 113.3° | 110.6° |
| N9 | C1' | O4' | 107.2° | 110.6° |
| N9 | C1' | H1' | 107.4° | 110.6° |
| C2' | C1' | O4' | 106.0° | 103.5° |
| C1' | C2' | O2' | 109.1° | 110.9° |
| C1' | C2' | C3' | 99.9° | 102.1° |
| C2' | C1' | H1' | 108.5° | 110.6° |
| C1' | C2' | H2' | 115.5° | 110.9° |
| C1' | O4' | C4' | 108.7° | 107.0° |
| O4' | C1' | H1' | 114.5° | 110.7° |
| O2' | C2' | C3' | 108.9° | 110.9° |
| O2' | C2' | H2' | 107.4° | 110.8° |
| C2' | O2' | HO2' | 109.5° | 113.9° |
| C2' | C3' | C4' | 100.0° | 104.2° |
| C3' | C2' | H2' | 115.7° | 110.9° |
| C2' | C3' | H3' | 113.9° | 110.5° |
| C3' | C4' | O4' | 104.8° | 107.3° |
| C3' | C4' | C5' | 109.0° | 109.9° |
| C4' | C3' | H3' | 116.0° | 110.6° |
| C3' | C4' | H4' | 112.8° | 109.9° |
| O4' | C4' | C5' | 109.5° | 109.9° |
| O4' | C4' | H4' | 112.3° | 109.9° |
| C4' | C5' | O5' | 109.1° | 109.5° |
| C5' | C4' | H4' | 108.3° | 109.9° |
| C4' | C5' | H5' | 109.6° | 109.5° |
| C4' | C5' | H5'A | 109.6° | 109.5° |
| O5' | C5' | H5' | 109.6° | 109.5° |
| O5' | C5' | H5'A | 109.6° | 109.5° |
| C5' | O5' | HO5' | 109.5° | 114.0° |
| HN | N | HNA | 109.5° | 111.1° |
| HN6 | N6 | HN6A | 109.5° | 120.0° |
| HA | CA | HAA | 109.6° | 109.4° |
| H5' | C5' | H5'A | 109.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | N8 | CA | 179.0° | 179.8° |
| O | C | CA | N | 93.1° | 0.0° |
| O | C | N8 | C3' | 1.0° | 0.0° |
| O | C | N8 | HN8 | 179.0° | 180.0° |
| O | C | CA | HA | 26.9° | 120.0° |
| O | C | CA | HAA | 147.0° | 120.1° |
| N8 | C | CA | N | 87.8° | 179.8° |
| C | N8 | C3' | HN8 | 180.0° | 180.0° |
| C | N8 | C3' | C2' | 69.1° | 155.0° |
| C | N8 | C3' | C4' | 180.0° | 90.3° |
| N8 | C | CA | HA | 152.2° | 60.2° |
| N8 | C | CA | HAA | 32.1° | 59.7° |
| C | N8 | C3' | H3' | 54.8° | 32.4° |
| C | CA | N | HA | 120.0° | 120.0° |
| C | CA | N | HAA | 120.0° | 120.0° |
| CA | C | N8 | C3' | 179.9° | 179.7° |
| C | CA | N | HN | 180.0° | 56.1° |
| C | CA | N | HNA | 60.0° | 180.0° |
| CA | C | N8 | HN8 | 0.1° | 0.2° |
| C | CA | HA | HAA | 119.9° | 119.9° |
| CA | N | HN | HNA | 120.0° | 123.9° |
| N | CA | HA | HAA | 119.8° | 120.1° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.4° | 0.0° |
| C2 | N1 | C6 | C5 | 0.5° | 0.0° |
| C2 | N1 | C6 | N6 | 176.5° | 180.0° |
| C6 | N1 | C2 | N3 | 0.1° | 0.0° |
| N1 | C6 | C5 | C4 | 0.7° | 0.0° |
| N1 | C6 | C5 | N6 | 177.0° | 179.9° |
| N1 | C6 | C5 | N7 | 179.9° | 180.0° |
| C6 | N1 | C2 | H2 | 179.9° | 180.0° |
| N1 | C6 | N6 | HN6 | 0.0° | 0.0° |
| N1 | C6 | N6 | HN6A | 120.0° | 180.0° |
| C2 | N3 | C4 | C5 | 0.1° | 0.0° |
| C2 | N3 | C4 | N9 | 179.1° | 179.9° |
| N3 | C4 | C5 | N9 | 179.3° | 180.0° |
| N3 | C4 | C5 | C6 | 0.5° | 0.0° |
| N3 | C4 | C5 | N7 | 179.9° | 180.0° |
| N3 | C4 | N9 | C8 | 179.9° | 180.0° |
| N3 | C4 | N9 | C1' | 5.0° | 0.0° |
| C4 | N3 | C2 | H2 | 179.6° | 180.0° |
| C4 | C5 | C6 | N7 | 179.3° | 179.9° |
| C4 | C5 | C6 | N6 | 176.2° | 180.0° |
| C4 | C5 | N7 | C8 | 0.3° | 0.0° |
| C5 | C4 | N9 | C8 | 0.8° | 0.0° |
| C5 | C4 | N9 | C1' | 174.1° | 180.0° |
| N9 | C4 | C5 | C6 | 178.8° | 179.9° |
| N9 | C4 | C5 | N7 | 0.7° | 0.0° |
| C4 | N9 | C8 | N7 | 0.7° | 0.0° |
| C4 | N9 | C8 | C1' | 175.1° | 180.0° |
| C4 | N9 | C1' | C2' | 49.8° | 85.0° |
| C4 | N9 | C1' | O4' | 166.4° | 160.9° |
| C4 | N9 | C8 | H8 | 179.3° | 180.0° |
| C4 | N9 | C1' | H1' | 70.1° | 37.9° |
| C6 | C5 | N7 | C8 | 179.1° | 180.0° |
| C5 | C6 | N6 | HN6 | 176.9° | 179.9° |
| C5 | C6 | N6 | HN6A | 56.9° | 0.1° |
| N7 | C5 | C6 | N6 | 3.1° | 0.1° |
| C5 | N7 | C8 | N9 | 0.2° | 0.0° |
| C5 | N7 | C8 | H8 | 179.8° | 180.0° |
| C6 | N6 | HN6 | HN6A | 120.0° | 180.0° |
| N7 | C8 | N9 | H8 | 180.0° | 180.0° |
| N7 | C8 | N9 | C1' | 174.4° | 180.0° |
| C8 | N9 | C1' | C2' | 136.1° | 95.0° |
| C8 | N9 | C1' | O4' | 19.5° | 19.1° |
| C8 | N9 | C1' | H1' | 104.0° | 142.1° |
| N8 | C3' | C2' | C1' | 160.9° | 97.8° |
| N8 | C3' | C2' | O2' | 46.6° | 20.4° |
| N8 | C3' | C2' | C4' | 117.2° | 118.7° |
| N8 | C3' | C2' | H3' | 118.3° | 122.5° |
| N8 | C3' | C4' | H3' | 118.1° | 122.6° |
| N8 | C3' | C4' | O4' | 158.2° | 120.7° |
| N8 | C3' | C4' | C5' | 84.7° | 119.9° |
| N8 | C3' | C2' | H2' | 74.4° | 143.9° |
| N8 | C3' | C4' | H4' | 35.7° | 1.2° |
| N9 | C1' | C2' | O4' | 117.3° | 118.5° |
| N9 | C1' | C2' | H1' | 119.2° | 122.9° |
| N9 | C1' | O4' | H1' | 119.0° | 123.0° |
| N9 | C1' | C2' | O2' | 163.1° | 86.3° |
| N9 | C1' | C2' | C3' | 82.9° | 155.5° |
| N9 | C1' | O4' | C4' | 111.0° | 158.6° |
| C1' | N9 | C8 | H8 | 5.6° | 0.0° |
| N9 | C1' | C2' | H2' | 42.0° | 37.3° |
| C2' | C1' | O4' | H1' | 119.6° | 118.5° |
| C1' | C2' | O2' | C3' | 108.1° | 112.7° |
| C1' | C2' | O2' | H2' | 125.9° | 123.7° |
| C1' | C2' | C3' | H2' | 124.7° | 118.2° |
| C1' | C2' | C3' | C4' | 43.7° | 20.9° |
| C2' | C1' | O4' | C4' | 10.4° | 40.0° |
| C1' | C2' | O2' | HO2' | 180.0° | 61.5° |
| C1' | C2' | C3' | H3' | 80.8° | 139.7° |
| O4' | C1' | C2' | O2' | 79.6° | 155.2° |
| O4' | C1' | C2' | C3' | 34.4° | 37.0° |
| C1' | O4' | C4' | C3' | 18.3° | 26.5° |
| C1' | O4' | C4' | C5' | 135.1° | 145.9° |
| O4' | C1' | C2' | H2' | 159.3° | 81.2° |
| C1' | O4' | C4' | H4' | 104.5° | 93.0° |
| O2' | C2' | C3' | H2' | 121.1° | 123.6° |
| O2' | C2' | C3' | C4' | 70.6° | 139.1° |
| O2' | C2' | C1' | H1' | 43.9° | 36.6° |
| O2' | C2' | C3' | H3' | 165.0° | 102.1° |
| C2' | C3' | C4' | H3' | 123.0° | 118.8° |
| C2' | C3' | C4' | O4' | 39.3° | 2.0° |
| C2' | C3' | C4' | C5' | 156.4° | 121.5° |
| C2' | C3' | N8 | HN8 | 110.9° | 25.0° |
| C3' | C2' | C1' | H1' | 157.9° | 81.6° |
| C3' | C2' | O2' | HO2' | 72.0° | 174.2° |
| C2' | C3' | C4' | H4' | 83.2° | 117.5° |
| C3' | C4' | O4' | C5' | 116.8° | 119.4° |
| C3' | C4' | O4' | H4' | 122.8° | 119.5° |
| C3' | C4' | C5' | H4' | 123.1° | 121.1° |
| C3' | C4' | C5' | O5' | 58.0° | 175.0° |
| C4' | C3' | N8 | HN8 | 0.0° | 89.8° |
| C4' | C3' | C2' | H2' | 168.4° | 97.4° |
| C3' | C4' | C5' | H5' | 178.0° | 55.0° |
| C3' | C4' | C5' | H5'A | 62.0° | 65.0° |
| O4' | C4' | C5' | H4' | 122.8° | 121.1° |
| O4' | C4' | C5' | O5' | 56.1° | 67.1° |
| C4' | O4' | C1' | H1' | 130.0° | 78.5° |
| O4' | C4' | C3' | H3' | 83.7° | 116.7° |
| O4' | C4' | C5' | H5' | 63.9° | 172.8° |
| O4' | C4' | C5' | H5'A | 176.1° | 52.9° |
| C4' | C5' | O5' | H5' | 120.0° | 120.0° |
| C4' | C5' | O5' | H5'A | 120.0° | 120.0° |
| C5' | C4' | C3' | H3' | 33.4° | 2.7° |
| C4' | C5' | H5' | H5'A | 120.2° | 120.0° |
| C4' | C5' | O5' | HO5' | 180.0° | 180.0° |
| O5' | C5' | C4' | H4' | 178.9° | 54.0° |
| O5' | C5' | H5' | H5'A | 120.1° | 120.0° |
| HN | N | CA | HA | 60.0° | 63.9° |
| HN | N | CA | HAA | 60.0° | 176.1° |
| HNA | N | CA | HA | 180.0° | 60.1° |
| HNA | N | CA | HAA | 60.0° | 60.0° |
| HN8 | N8 | C3' | H3' | 125.2° | 147.5° |
| H1' | C1' | C2' | H2' | 77.2° | 160.2° |
| H2' | C2' | O2' | HO2' | 54.0° | 62.2° |
| H2' | C2' | C3' | H3' | 43.9° | 21.5° |
| H3' | C3' | C4' | H4' | 153.8° | 123.8° |
| H4' | C4' | C5' | H5' | 58.9° | 66.1° |
| H4' | C4' | C5' | H5'A | 61.0° | 174.0° |
| H5' | C5' | O5' | HO5' | 60.0° | 60.0° |
| H5'A | C5' | O5' | HO5' | 60.0° | 60.0° |
