S4G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O3P | sing | 1.61Å | 1.61Å | |
| O3P | HO3P | sing | 0.97Å | 0.95Å | |
| O1P | P | doub | 1.48Å | 1.48Å | |
| O5' | P | sing | 1.61Å | 1.59Å | |
| P | O2P | sing | 1.61Å | 1.49Å | |
| O2P | HO2P | sing | 0.97Å | 0.95Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| C1' | N9 | sing | 1.46Å | 1.45Å | |
| N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| N9 | C8 | sing | 1.37Å | 1.37Å | Aromatic |
| N3 | C4 | sing | 1.34Å | 1.35Å | |
| C4 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
| N3 | C2 | doub | 1.31Å | 1.32Å | |
| N2 | C2 | sing | 1.37Å | 1.34Å | |
| C2 | N1 | sing | 1.36Å | 1.37Å | |
| H1N2 | N2 | sing | 0.97Å | 1.00Å | |
| N2 | H2N2 | sing | 0.97Å | 1.00Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N1 | C6 | sing | 1.35Å | 1.39Å | |
| C5 | C6 | sing | 1.42Å | 1.42Å | |
| C6 | O6 | doub | 1.22Å | 1.24Å | |
| C5 | N7 | sing | 1.36Å | 1.39Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.30Å | Aromatic |
| H8 | C8 | sing | 1.08Å | 1.08Å | |
| H22' | C2' | sing | 1.09Å | 1.10Å | |
| C3' | C2' | sing | 1.52Å | 1.52Å | |
| C2' | H12' | sing | 1.09Å | 1.10Å | |
| C2' | C1' | sing | 1.54Å | 1.52Å | |
| H25' | C5' | sing | 1.09Å | 1.10Å | |
| H15' | C5' | sing | 1.09Å | 1.10Å | |
| C4' | C5' | sing | 1.53Å | 1.51Å | |
| H4' | C4' | sing | 1.09Å | 1.10Å | |
| C4' | C3' | sing | 1.54Å | 1.53Å | |
| C4' | S4' | sing | 1.84Å | 1.84Å | |
| S4' | C1' | sing | 1.84Å | 1.83Å | |
| H1' | C1' | sing | 1.09Å | 1.10Å | |
| O3' | C3' | sing | 1.43Å | 1.43Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P | O3P | HO3P | 109.5° | 114.0° |
| O3P | P | O1P | 107.4° | 109.4° |
| O3P | P | O5' | 104.0° | 109.5° |
| O3P | P | O2P | 108.3° | 109.5° |
| O1P | P | O5' | 108.1° | 109.5° |
| O1P | P | O2P | 119.6° | 109.5° |
| O5' | P | O2P | 108.3° | 109.5° |
| P | O5' | C5' | 121.0° | 123.0° |
| P | O2P | HO2P | 109.5° | 114.0° |
| O5' | C5' | H25' | 109.4° | 109.5° |
| O5' | C5' | H15' | 109.3° | 109.4° |
| O5' | C5' | C4' | 109.8° | 109.5° |
| C1' | N9 | C4 | 127.1° | 126.2° |
| C1' | N9 | C8 | 126.4° | 126.3° |
| N9 | C1' | C2' | 112.0° | 110.8° |
| N9 | C1' | S4' | 109.4° | 110.8° |
| N9 | C1' | H1' | 106.4° | 110.8° |
| C4 | N9 | C8 | 106.5° | 107.4° |
| N9 | C4 | N3 | 126.0° | 134.2° |
| N9 | C4 | C5 | 105.3° | 106.1° |
| N9 | C8 | N7 | 113.4° | 109.8° |
| N9 | C8 | H8 | 123.3° | 125.0° |
| N3 | C4 | C5 | 128.7° | 119.7° |
| C4 | N3 | C2 | 111.9° | 121.2° |
| C4 | C5 | C6 | 118.9° | 118.6° |
| C4 | C5 | N7 | 110.7° | 107.3° |
| N3 | C2 | N2 | 119.7° | 119.1° |
| N3 | C2 | N1 | 124.0° | 121.9° |
| N2 | C2 | N1 | 116.3° | 119.1° |
| C2 | N2 | H1N2 | 110.6° | 120.0° |
| C2 | N2 | H2N2 | 124.7° | 120.0° |
| C2 | N1 | HN1 | 117.5° | 119.8° |
| C2 | N1 | C6 | 124.9° | 120.3° |
| H1N2 | N2 | H2N2 | 124.7° | 120.0° |
| HN1 | N1 | C6 | 117.5° | 119.9° |
| N1 | C6 | C5 | 111.5° | 118.3° |
| N1 | C6 | O6 | 120.0° | 120.8° |
| C5 | C6 | O6 | 128.5° | 120.8° |
| C6 | C5 | N7 | 130.4° | 134.1° |
| C5 | N7 | C8 | 104.1° | 109.3° |
| N7 | C8 | H8 | 123.3° | 125.1° |
| H22' | C2' | C3' | 109.1° | 108.7° |
| H22' | C2' | H12' | 110.3° | 108.8° |
| H22' | C2' | C1' | 109.1° | 108.9° |
| C3' | C2' | H12' | 108.9° | 108.8° |
| C3' | C2' | C1' | 110.5° | 112.6° |
| C2' | C3' | C4' | 111.4° | 112.6° |
| C2' | C3' | O3' | 104.0° | 108.9° |
| C2' | C3' | H3' | 115.3° | 108.9° |
| H12' | C2' | C1' | 108.9° | 108.9° |
| C2' | C1' | S4' | 104.7° | 102.6° |
| C2' | C1' | H1' | 111.0° | 110.8° |
| H25' | C5' | H15' | 109.7° | 109.5° |
| H25' | C5' | C4' | 109.3° | 109.5° |
| H15' | C5' | C4' | 109.3° | 109.5° |
| C5' | C4' | H4' | 99.8° | 110.7° |
| C5' | C4' | C3' | 112.9° | 110.8° |
| C5' | C4' | S4' | 116.3° | 110.8° |
| H4' | C4' | C3' | 115.7° | 110.8° |
| H4' | C4' | S4' | 112.3° | 110.9° |
| C3' | C4' | S4' | 100.5° | 102.6° |
| C4' | C3' | O3' | 118.0° | 108.9° |
| C4' | C3' | H3' | 100.4° | 108.8° |
| C4' | S4' | C1' | 98.3° | 94.8° |
| S4' | C1' | H1' | 113.5° | 110.8° |
| O3' | C3' | H3' | 108.3° | 108.7° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3P | P | O1P | O5' | 111.7° | 120.0° |
| O3P | P | O1P | O2P | 123.8° | 120.0° |
| O3P | P | O5' | O2P | 115.0° | 120.0° |
| O3P | P | O2P | HO2P | 1.9° | 60.0° |
| O3P | P | O5' | C5' | 100.1° | 175.0° |
| HO3P | O3P | P | O1P | 34.0° | 60.0° |
| HO3P | O3P | P | O5' | 80.5° | 180.0° |
| HO3P | O3P | P | O2P | 164.5° | 60.0° |
| O1P | P | O5' | O2P | 131.0° | 120.0° |
| O1P | P | O2P | HO2P | 121.5° | 180.0° |
| O1P | P | O5' | C5' | 13.9° | 55.0° |
| O5' | P | O2P | HO2P | 114.1° | 60.0° |
| P | O5' | C5' | H25' | 48.4° | 60.0° |
| P | O5' | C5' | H15' | 71.7° | 60.0° |
| P | O5' | C5' | C4' | 168.4° | 180.0° |
| O2P | P | O5' | C5' | 144.9° | 65.0° |
| O5' | C5' | H25' | H15' | 119.9° | 119.9° |
| O5' | C5' | H25' | C4' | 120.3° | 120.0° |
| O5' | C5' | H15' | C4' | 120.2° | 120.0° |
| O5' | C5' | C4' | H4' | 170.1° | 178.3° |
| O5' | C5' | C4' | C3' | 66.4° | 55.0° |
| O5' | C5' | C4' | S4' | 49.1° | 58.2° |
| C1' | N9 | C4 | C8 | 178.6° | 179.7° |
| C1' | N9 | C4 | N3 | 1.2° | 0.3° |
| C1' | N9 | C4 | C5 | 178.3° | 179.7° |
| C1' | N9 | C8 | N7 | 178.6° | 179.8° |
| C1' | N9 | C8 | H8 | 1.4° | 0.2° |
| N9 | C1' | C2' | H22' | 21.4° | 22.2° |
| N9 | C1' | C2' | C3' | 98.7° | 142.8° |
| N9 | C1' | C2' | H12' | 141.8° | 96.3° |
| N9 | C1' | C2' | S4' | 118.4° | 118.3° |
| N9 | C1' | C2' | H1' | 118.8° | 123.4° |
| N9 | C1' | S4' | C4' | 122.6° | 152.8° |
| N9 | C1' | S4' | H1' | 118.7° | 123.4° |
| N9 | C4 | N3 | C5 | 179.4° | 180.0° |
| N9 | C4 | N3 | C2 | 179.4° | 180.0° |
| N9 | C4 | C5 | C6 | 179.4° | 180.0° |
| N9 | C4 | C5 | N7 | 0.5° | 0.0° |
| C4 | N9 | C8 | N7 | 0.1° | 0.0° |
| C4 | N9 | C8 | H8 | 180.0° | 180.0° |
| C4 | N9 | C1' | C2' | 92.5° | 85.0° |
| C4 | N9 | C1' | S4' | 152.0° | 28.2° |
| C4 | N9 | C1' | H1' | 29.0° | 151.6° |
| C8 | N9 | C4 | N3 | 179.9° | 180.0° |
| C8 | N9 | C4 | C5 | 0.4° | 0.0° |
| N9 | C8 | N7 | C5 | 0.3° | 0.1° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| C8 | N9 | C1' | C2' | 85.9° | 94.6° |
| C8 | N9 | C1' | S4' | 29.7° | 152.2° |
| C8 | N9 | C1' | H1' | 152.6° | 28.7° |
| C4 | N3 | C2 | N2 | 179.9° | 180.0° |
| C4 | N3 | C2 | N1 | 0.0° | 0.1° |
| N3 | C4 | C5 | C6 | 0.2° | 0.0° |
| N3 | C4 | C5 | N7 | 180.0° | 180.0° |
| C5 | C4 | N3 | C2 | 0.1° | 0.0° |
| C4 | C5 | C6 | N1 | 0.1° | 0.1° |
| C4 | C5 | C6 | N7 | 179.9° | 179.9° |
| C4 | C5 | C6 | O6 | 179.9° | 179.9° |
| C4 | C5 | N7 | C8 | 0.5° | 0.1° |
| N3 | C2 | N2 | N1 | 180.0° | 179.9° |
| N3 | C2 | N2 | H1N2 | 180.0° | 180.0° |
| N3 | C2 | N2 | H2N2 | 0.0° | 0.0° |
| N3 | C2 | N1 | HN1 | 179.9° | 180.0° |
| N3 | C2 | N1 | C6 | 0.1° | 0.1° |
| C2 | N2 | H1N2 | H2N2 | 180.0° | 180.0° |
| N2 | C2 | N1 | HN1 | 0.1° | 0.1° |
| N2 | C2 | N1 | C6 | 179.9° | 180.0° |
| N1 | C2 | N2 | H1N2 | 0.0° | 0.0° |
| N1 | C2 | N2 | H2N2 | 180.0° | 180.0° |
| C2 | N1 | HN1 | C6 | 180.0° | 179.9° |
| C2 | N1 | C6 | C5 | 0.0° | 0.1° |
| C2 | N1 | C6 | O6 | 180.0° | 179.9° |
| HN1 | N1 | C6 | C5 | 180.0° | 180.0° |
| HN1 | N1 | C6 | O6 | 0.0° | 0.0° |
| N1 | C6 | C5 | O6 | 180.0° | 180.0° |
| N1 | C6 | C5 | N7 | 180.0° | 180.0° |
| C6 | C5 | N7 | C8 | 179.4° | 180.0° |
| O6 | C6 | C5 | N7 | 0.0° | 0.0° |
| C5 | N7 | C8 | H8 | 179.7° | 179.9° |
| H22' | C2' | C3' | H12' | 120.4° | 118.4° |
| H22' | C2' | C3' | C1' | 120.0° | 120.7° |
| H22' | C2' | H12' | C1' | 119.7° | 118.6° |
| H22' | C2' | C3' | C4' | 160.2° | 120.7° |
| H22' | C2' | C1' | S4' | 139.8° | 96.1° |
| H22' | C2' | C1' | H1' | 97.4° | 145.6° |
| H22' | C2' | C3' | O3' | 71.6° | 118.5° |
| H22' | C2' | C3' | H3' | 46.8° | 0.1° |
| C3' | C2' | H12' | C1' | 120.6° | 123.1° |
| C2' | C3' | C4' | C5' | 162.8° | 142.8° |
| C2' | C3' | C4' | H4' | 83.0° | 93.9° |
| C2' | C3' | C4' | O3' | 120.2° | 120.8° |
| C2' | C3' | C4' | H3' | 122.5° | 120.8° |
| C2' | C3' | C4' | S4' | 38.2° | 24.5° |
| C3' | C2' | C1' | S4' | 19.8° | 24.5° |
| C3' | C2' | C1' | H1' | 142.6° | 93.8° |
| C2' | C3' | O3' | H3' | 123.1° | 118.5° |
| C2' | C3' | O3' | HO3' | 64.5° | 57.0° |
| H12' | C2' | C3' | C4' | 79.3° | 120.9° |
| H12' | C2' | C1' | S4' | 99.8° | 145.3° |
| H12' | C2' | C1' | H1' | 23.0° | 27.0° |
| H12' | C2' | C3' | O3' | 48.8° | 0.1° |
| H12' | C2' | C3' | H3' | 167.2° | 118.3° |
| C1' | C2' | C3' | C4' | 40.2° | 0.0° |
| C2' | C1' | S4' | C4' | 2.5° | 34.5° |
| C2' | C1' | S4' | H1' | 121.2° | 118.3° |
| C1' | C2' | C3' | O3' | 168.4° | 120.8° |
| C1' | C2' | C3' | H3' | 73.3° | 120.8° |
| H25' | C5' | H15' | C4' | 119.9° | 120.1° |
| H25' | C5' | C4' | H4' | 69.9° | 61.7° |
| H25' | C5' | C4' | C3' | 53.6° | 175.0° |
| H25' | C5' | C4' | S4' | 169.1° | 61.8° |
| H15' | C5' | C4' | H4' | 50.2° | 58.4° |
| H15' | C5' | C4' | C3' | 173.7° | 64.9° |
| H15' | C5' | C4' | S4' | 70.8° | 178.1° |
| C5' | C4' | H4' | C3' | 121.5° | 123.3° |
| C5' | C4' | H4' | S4' | 123.8° | 123.4° |
| C5' | C4' | C3' | S4' | 124.6° | 118.3° |
| C5' | C4' | S4' | C1' | 145.0° | 152.8° |
| C5' | C4' | C3' | O3' | 77.0° | 96.3° |
| C5' | C4' | C3' | H3' | 40.3° | 22.0° |
| H4' | C4' | C3' | S4' | 121.2° | 118.4° |
| H4' | C4' | S4' | C1' | 100.9° | 83.9° |
| H4' | C4' | C3' | O3' | 37.2° | 26.9° |
| H4' | C4' | C3' | H3' | 154.4° | 145.2° |
| C3' | C4' | S4' | C1' | 22.7° | 34.5° |
| C4' | C3' | O3' | H3' | 113.0° | 118.4° |
| C4' | C3' | O3' | HO3' | 171.5° | 179.9° |
| C4' | S4' | C1' | H1' | 118.7° | 83.8° |
| S4' | C4' | C3' | O3' | 158.4° | 145.3° |
| S4' | C4' | C3' | H3' | 84.3° | 96.3° |
| H3' | C3' | O3' | HO3' | 58.5° | 61.5° |
