DSH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.33Å | |
| N1 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.34Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.33Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.35Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.38Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.33Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.38Å | Aromatic |
| C5 | N7 | sing | 1.36Å | 1.34Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.35Å | |
| N7 | C8 | doub | 1.30Å | 1.35Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.34Å | Aromatic |
| N9 | C1' | sing | 1.46Å | 1.49Å | |
| CA | CB | sing | 1.53Å | 1.33Å | |
| CB | CG | sing | 1.53Å | 1.51Å | |
| SD | CG | sing | 1.81Å | 1.76Å | |
| SD | C5' | sing | 1.81Å | 1.77Å | |
| C1' | C2' | sing | 1.55Å | 1.52Å | |
| C1' | O4' | sing | 1.44Å | 1.43Å | |
| C2' | O2' | sing | 1.43Å | 1.43Å | |
| C2' | C3' | sing | 1.55Å | 1.52Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C4' | sing | 1.54Å | 1.52Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | C5' | sing | 1.53Å | 1.52Å | |
| 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 | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CG | HGA | 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 | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| CA | HAA | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CA | CB | 120.5° | 109.5° |
| CA | N | HN | 109.5° | 111.0° |
| CA | N | HNA | 109.5° | 111.0° |
| N | CA | HA | 106.0° | 109.4° |
| N | CA | HAA | 106.0° | 109.4° |
| C2 | N1 | C6 | 120.8° | 121.1° |
| N1 | C2 | N3 | 121.4° | 122.5° |
| N1 | C2 | H2 | 119.3° | 118.7° |
| N1 | C6 | C5 | 118.8° | 118.5° |
| N1 | C6 | N6 | 120.8° | 120.7° |
| C2 | N3 | C4 | 120.5° | 120.6° |
| N3 | C2 | H2 | 119.3° | 118.8° |
| N3 | C4 | C5 | 119.0° | 119.0° |
| N3 | C4 | N9 | 133.3° | 134.9° |
| C5 | C4 | N9 | 107.7° | 106.0° |
| C4 | C5 | C6 | 119.6° | 118.2° |
| C4 | C5 | N7 | 107.5° | 107.1° |
| C4 | N9 | C8 | 108.1° | 107.4° |
| C4 | N9 | C1' | 126.2° | 126.3° |
| C6 | C5 | N7 | 132.9° | 134.7° |
| C5 | C6 | N6 | 120.3° | 120.8° |
| C5 | N7 | C8 | 107.3° | 109.5° |
| C6 | N6 | HN6 | 109.5° | 120.0° |
| C6 | N6 | HN6A | 109.4° | 120.0° |
| N7 | C8 | N9 | 109.4° | 110.0° |
| N7 | C8 | H8 | 125.3° | 125.0° |
| C8 | N9 | C1' | 125.7° | 126.3° |
| N9 | C8 | H8 | 125.3° | 125.0° |
| N9 | C1' | C2' | 112.7° | 110.6° |
| N9 | C1' | O4' | 110.3° | 110.6° |
| N9 | C1' | H1' | 105.2° | 110.6° |
| CA | CB | CG | 120.9° | 109.5° |
| CB | CA | HA | 105.9° | 109.5° |
| CA | CB | HB | 105.8° | 109.5° |
| CB | CA | HAA | 105.9° | 109.5° |
| CA | CB | HBA | 105.8° | 109.5° |
| CB | CG | SD | 109.3° | 109.5° |
| CG | CB | HB | 105.9° | 109.4° |
| CB | CG | HG | 109.5° | 109.4° |
| CB | CG | HGA | 109.5° | 109.5° |
| CG | CB | HBA | 105.8° | 109.5° |
| CG | SD | C5' | 101.1° | 103.0° |
| SD | CG | HG | 109.5° | 109.5° |
| SD | CG | HGA | 109.5° | 109.5° |
| SD | C5' | C4' | 111.8° | 109.5° |
| SD | C5' | H5' | 108.7° | 109.5° |
| SD | C5' | H5'A | 108.7° | 109.5° |
| C2' | C1' | O4' | 104.5° | 103.5° |
| C1' | C2' | O2' | 109.6° | 110.9° |
| C1' | C2' | C3' | 102.7° | 102.1° |
| C2' | C1' | H1' | 111.0° | 110.6° |
| C1' | C2' | H2' | 114.1° | 110.9° |
| C1' | O4' | C4' | 110.6° | 107.0° |
| O4' | C1' | H1' | 113.3° | 110.8° |
| O2' | C2' | C3' | 110.8° | 110.9° |
| O2' | C2' | H2' | 106.5° | 110.8° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C2' | C3' | O3' | 108.1° | 110.5° |
| C2' | C3' | C4' | 104.4° | 104.2° |
| C3' | C2' | H2' | 113.0° | 110.9° |
| C2' | C3' | H3' | 113.0° | 110.5° |
| O3' | C3' | C4' | 107.6° | 110.5° |
| O3' | C3' | H3' | 110.1° | 110.5° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C3' | C4' | O4' | 106.0° | 107.3° |
| C3' | C4' | C5' | 111.9° | 109.9° |
| C4' | C3' | H3' | 113.4° | 110.6° |
| C3' | C4' | H4' | 110.5° | 109.9° |
| O4' | C4' | C5' | 110.2° | 109.8° |
| O4' | C4' | H4' | 112.1° | 109.8° |
| C5' | C4' | H4' | 106.2° | 110.0° |
| C4' | C5' | H5' | 108.7° | 109.5° |
| C4' | C5' | H5'A | 108.7° | 109.4° |
| HN | N | HNA | 109.4° | 111.0° |
| HN6 | N6 | HN6A | 109.5° | 120.0° |
| HA | CA | HAA | 112.7° | 109.5° |
| HB | CB | HBA | 112.8° | 109.5° |
| HG | CG | HGA | 109.4° | 109.4° |
| H5' | C5' | H5'A | 110.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | CB | HA | 120.0° | 120.0° |
| N | CA | CB | HAA | 120.0° | 120.0° |
| N | CA | CB | CG | 0.2° | 180.0° |
| CA | N | HN | HNA | 120.0° | 123.9° |
| N | CA | HA | HAA | 115.5° | 120.0° |
| N | CA | CB | HB | 119.8° | 60.0° |
| N | CA | CB | HBA | 120.2° | 60.0° |
| N1 | C2 | N3 | H2 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 0.6° | 0.0° |
| C2 | N1 | C6 | C5 | 0.2° | 0.0° |
| C2 | N1 | C6 | N6 | 180.0° | 180.0° |
| C6 | N1 | C2 | N3 | 0.5° | 0.0° |
| N1 | C6 | C5 | C4 | 0.1° | 0.0° |
| N1 | C6 | C5 | N6 | 179.9° | 180.0° |
| N1 | C6 | C5 | N7 | 179.9° | 180.0° |
| C6 | N1 | C2 | H2 | 179.5° | 180.0° |
| N1 | C6 | N6 | HN6 | 0.0° | 0.0° |
| N1 | C6 | N6 | HN6A | 120.0° | 180.0° |
| C2 | N3 | C4 | C5 | 0.5° | 0.0° |
| C2 | N3 | C4 | N9 | 179.6° | 180.0° |
| N3 | C4 | C5 | N9 | 179.3° | 180.0° |
| N3 | C4 | C5 | C6 | 0.2° | 0.0° |
| N3 | C4 | C5 | N7 | 179.7° | 180.0° |
| N3 | C4 | N9 | C8 | 180.0° | 180.0° |
| N3 | C4 | N9 | C1' | 1.9° | 0.0° |
| C4 | N3 | C2 | H2 | 179.3° | 180.0° |
| C4 | C5 | C6 | N7 | 179.9° | 180.0° |
| C4 | C5 | C6 | N6 | 179.9° | 180.0° |
| C4 | C5 | N7 | C8 | 0.2° | 0.0° |
| C5 | C4 | N9 | C8 | 0.8° | 0.0° |
| C5 | C4 | N9 | C1' | 178.9° | 180.0° |
| N9 | C4 | C5 | C6 | 179.5° | 180.0° |
| N9 | C4 | C5 | N7 | 0.4° | 0.0° |
| C4 | N9 | C8 | N7 | 0.9° | 0.0° |
| C4 | N9 | C8 | C1' | 178.1° | 180.0° |
| C4 | N9 | C1' | C2' | 140.6° | 85.0° |
| C4 | N9 | C1' | O4' | 103.0° | 160.9° |
| C4 | N9 | C8 | H8 | 179.1° | 180.0° |
| C4 | N9 | C1' | H1' | 19.6° | 37.9° |
| C6 | C5 | N7 | C8 | 179.9° | 180.0° |
| C5 | C6 | N6 | HN6 | 179.9° | 179.9° |
| C5 | C6 | N6 | HN6A | 60.1° | 0.0° |
| N7 | C5 | C6 | N6 | 0.0° | 0.1° |
| C5 | N7 | C8 | N9 | 0.7° | 0.0° |
| C5 | N7 | C8 | H8 | 179.3° | 180.0° |
| C6 | N6 | HN6 | HN6A | 120.0° | 180.0° |
| N7 | C8 | N9 | H8 | 180.0° | 180.0° |
| N7 | C8 | N9 | C1' | 179.0° | 180.0° |
| C8 | N9 | C1' | C2' | 41.6° | 95.0° |
| C8 | N9 | C1' | O4' | 74.8° | 19.0° |
| C8 | N9 | C1' | H1' | 162.7° | 142.1° |
| N9 | C1' | C2' | O4' | 119.8° | 118.5° |
| N9 | C1' | C2' | H1' | 117.7° | 122.9° |
| N9 | C1' | O4' | H1' | 117.7° | 123.0° |
| N9 | C1' | C2' | O2' | 88.5° | 86.3° |
| N9 | C1' | C2' | C3' | 153.6° | 155.5° |
| N9 | C1' | O4' | C4' | 145.9° | 158.5° |
| C1' | N9 | C8 | H8 | 1.0° | 0.0° |
| N9 | C1' | C2' | H2' | 30.9° | 37.3° |
| CA | CB | CG | HB | 120.0° | 120.0° |
| CA | CB | CG | HBA | 120.0° | 120.0° |
| CA | CB | CG | SD | 124.6° | 180.0° |
| CB | CA | N | HN | 180.0° | 180.0° |
| CB | CA | N | HNA | 60.0° | 56.0° |
| CB | CA | HA | HAA | 115.4° | 120.1° |
| CA | CB | HB | HBA | 115.3° | 120.0° |
| CA | CB | CG | HG | 4.6° | 60.0° |
| CA | CB | CG | HGA | 115.4° | 59.9° |
| CB | CG | SD | HG | 120.0° | 120.0° |
| CB | CG | SD | HGA | 120.0° | 120.0° |
| CB | CG | SD | C5' | 144.7° | 180.0° |
| CG | CB | CA | HA | 120.2° | 60.1° |
| CG | CB | HB | HBA | 115.3° | 120.0° |
| CB | CG | HG | HGA | 120.1° | 119.9° |
| CG | CB | CA | HAA | 119.8° | 60.0° |
| CG | SD | C5' | C4' | 88.4° | 180.0° |
| SD | CG | CB | HB | 115.4° | 60.0° |
| SD | CG | HG | HGA | 120.1° | 120.0° |
| CG | SD | C5' | H5' | 31.6° | 60.0° |
| CG | SD | C5' | H5'A | 151.6° | 60.0° |
| SD | CG | CB | HBA | 4.6° | 60.0° |
| SD | C5' | C4' | C3' | 80.2° | 175.0° |
| SD | C5' | C4' | O4' | 162.1° | 67.2° |
| SD | C5' | C4' | H5' | 120.0° | 120.0° |
| SD | C5' | C4' | H5'A | 120.0° | 120.0° |
| C5' | SD | CG | HG | 95.3° | 60.0° |
| C5' | SD | CG | HGA | 24.7° | 60.0° |
| SD | C5' | C4' | H4' | 40.4° | 53.8° |
| SD | C5' | H5' | H5'A | 119.1° | 120.0° |
| C2' | C1' | O4' | H1' | 120.9° | 118.5° |
| C1' | C2' | O2' | C3' | 112.7° | 112.7° |
| C1' | C2' | O2' | H2' | 124.0° | 123.6° |
| C1' | C2' | C3' | H2' | 123.5° | 118.2° |
| C1' | C2' | C3' | O3' | 83.6° | 97.8° |
| C1' | C2' | C3' | C4' | 30.7° | 20.9° |
| C2' | C1' | O4' | C4' | 24.5° | 40.1° |
| C1' | C2' | O2' | HO2' | 180.0° | 180.0° |
| C1' | C2' | C3' | H3' | 154.4° | 139.7° |
| O4' | C1' | C2' | O2' | 151.7° | 155.2° |
| O4' | C1' | C2' | C3' | 33.8° | 37.0° |
| C1' | O4' | C4' | C3' | 4.8° | 26.5° |
| C1' | O4' | C4' | C5' | 126.1° | 146.0° |
| O4' | C1' | C2' | H2' | 88.9° | 81.2° |
| C1' | O4' | C4' | H4' | 115.8° | 92.9° |
| O2' | C2' | C3' | H2' | 119.5° | 123.7° |
| O2' | C2' | C3' | O3' | 33.5° | 20.4° |
| O2' | C2' | C3' | C4' | 147.8° | 139.0° |
| O2' | C2' | C1' | H1' | 29.2° | 36.6° |
| O2' | C2' | C3' | H3' | 88.6° | 102.2° |
| C2' | C3' | O3' | C4' | 112.2° | 114.8° |
| C2' | C3' | O3' | H3' | 123.8° | 122.6° |
| C2' | C3' | C4' | H3' | 123.4° | 118.7° |
| C2' | C3' | C4' | O4' | 16.8° | 2.0° |
| C2' | C3' | C4' | C5' | 103.4° | 121.5° |
| C3' | C2' | C1' | H1' | 88.7° | 81.6° |
| C3' | C2' | O2' | HO2' | 67.3° | 67.3° |
| C2' | C3' | O3' | HO3' | 180.0° | 61.4° |
| C2' | C3' | C4' | H4' | 138.5° | 117.4° |
| O3' | C3' | C4' | H3' | 122.0° | 122.6° |
| O3' | C3' | C4' | O4' | 97.8° | 120.7° |
| O3' | C3' | C4' | C5' | 142.0° | 119.9° |
| O3' | C3' | C2' | H2' | 153.0° | 144.0° |
| O3' | C3' | C4' | H4' | 23.8° | 1.3° |
| C3' | C4' | O4' | C5' | 121.3° | 119.5° |
| C3' | C4' | O4' | H4' | 120.6° | 119.5° |
| C3' | C4' | C5' | H4' | 120.6° | 121.1° |
| C4' | C3' | C2' | H2' | 92.7° | 97.3° |
| C4' | C3' | O3' | HO3' | 67.8° | 176.2° |
| C3' | C4' | C5' | H5' | 159.8° | 65.0° |
| C3' | C4' | C5' | H5'A | 39.8° | 55.0° |
| O4' | C4' | C5' | H4' | 121.7° | 121.0° |
| C4' | O4' | C1' | H1' | 96.4° | 78.5° |
| O4' | C4' | C3' | H3' | 140.2° | 116.7° |
| O4' | C4' | C5' | H5' | 42.1° | 52.9° |
| O4' | C4' | C5' | H5'A | 77.9° | 172.8° |
| C5' | C4' | C3' | H3' | 20.0° | 2.7° |
| C4' | C5' | H5' | H5'A | 119.1° | 119.9° |
| HN | N | CA | HA | 60.0° | 60.0° |
| HN | N | CA | HAA | 60.0° | 60.0° |
| HNA | N | CA | HA | 60.0° | 63.9° |
| HNA | N | CA | HAA | 180.0° | 176.1° |
| HA | CA | CB | HB | 0.2° | 180.0° |
| HA | CA | CB | HBA | 119.8° | 60.0° |
| HB | CB | CG | HG | 124.6° | 180.0° |
| HB | CB | CG | HGA | 4.6° | 60.1° |
| HB | CB | CA | HAA | 120.2° | 60.0° |
| HG | CG | CB | HBA | 115.4° | 60.0° |
| HGA | CG | CB | HBA | 124.6° | 179.9° |
| H1' | C1' | C2' | H2' | 148.6° | 160.1° |
| H2' | C2' | O2' | HO2' | 56.0° | 56.4° |
| H2' | C2' | C3' | H3' | 30.9° | 21.5° |
| H3' | C3' | O3' | HO3' | 56.2° | 61.2° |
| H3' | C3' | C4' | H4' | 98.1° | 123.9° |
| H4' | C4' | C5' | H5' | 79.6° | 173.9° |
| H4' | C4' | C5' | H5'A | 160.4° | 66.2° |
| HAA | CA | CB | HBA | 0.2° | 180.0° |
