1SC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3P | P | sing | 1.61Å | 1.60Å | |
| O3P | HO3P | sing | 0.97Å | 0.95Å | |
| P | O1P | doub | 1.48Å | 1.48Å | |
| P | O5' | sing | 1.61Å | 1.58Å | |
| P | S | sing | 2.12Å | 1.84Å | |
| O5' | C5' | sing | 1.43Å | 1.41Å | |
| C5' | C4' | sing | 1.53Å | 1.50Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C4' | C3' | sing | 1.54Å | 1.51Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.42Å | |
| C3' | O3' | sing | 1.43Å | 1.40Å | |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.41Å | |
| C2' | C1' | sing | 1.54Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | N1 | sing | 1.47Å | 1.46Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| N1 | C2 | sing | 1.35Å | 1.39Å | |
| N1 | C6 | sing | 1.36Å | 1.37Å | |
| C2 | O2 | doub | 1.22Å | 1.24Å | |
| C2 | N3 | sing | 1.33Å | 1.35Å | |
| N3 | C4 | doub | 1.33Å | 1.33Å | |
| C4 | N4 | sing | 1.38Å | 1.33Å | |
| C4 | C5 | sing | 1.41Å | 1.43Å | |
| N4 | HN41 | sing | 0.97Å | 1.00Å | |
| N4 | HN42 | sing | 0.97Å | 1.00Å | |
| C5 | C6 | doub | 1.35Å | 1.34Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| S | HS | sing | 1.35Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P | O3P | HO3P | 109.5° | 106.7° |
| O3P | P | O1P | 107.4° | 109.4° |
| O3P | P | O5' | 104.4° | 109.5° |
| O3P | P | S | 107.4° | 109.5° |
| O1P | P | O5' | 108.8° | 109.5° |
| O1P | P | S | 120.9° | 109.5° |
| O5' | P | S | 106.9° | 109.5° |
| P | O5' | C5' | 119.8° | 106.8° |
| P | S | HS | 109.5° | 100.0° |
| O5' | C5' | C4' | 109.7° | 109.5° |
| O5' | C5' | H5'1 | 109.4° | 109.5° |
| O5' | C5' | H5'2 | 109.4° | 109.5° |
| C4' | C5' | H5'1 | 109.4° | 109.5° |
| C4' | C5' | H5'2 | 109.4° | 109.4° |
| C5' | C4' | O4' | 110.3° | 110.4° |
| C5' | C4' | C3' | 113.5° | 110.5° |
| C5' | C4' | H4' | 104.4° | 110.3° |
| H5'1 | C5' | H5'2 | 109.6° | 109.5° |
| O4' | C4' | C3' | 103.5° | 104.8° |
| O4' | C4' | H4' | 114.3° | 110.3° |
| C4' | O4' | C1' | 109.5° | 105.3° |
| C3' | C4' | H4' | 111.1° | 110.4° |
| C4' | C3' | O3' | 112.2° | 110.5° |
| C4' | C3' | C2' | 103.3° | 104.1° |
| C4' | C3' | H3' | 113.7° | 110.5° |
| O4' | C1' | C2' | 108.0° | 104.9° |
| O4' | C1' | N1 | 109.0° | 110.4° |
| O4' | C1' | H1' | 111.2° | 110.4° |
| O3' | C3' | C2' | 114.7° | 110.6° |
| O3' | C3' | H3' | 102.1° | 110.4° |
| C3' | O3' | HO3' | 109.5° | 106.8° |
| C2' | C3' | H3' | 111.2° | 110.6° |
| C3' | C2' | O2' | 113.7° | 110.5° |
| C3' | C2' | C1' | 101.0° | 104.0° |
| C3' | C2' | H2' | 112.5° | 110.5° |
| O2' | C2' | C1' | 110.0° | 110.8° |
| O2' | C2' | H2' | 104.0° | 110.5° |
| C2' | O2' | HO2' | 109.5° | 106.9° |
| C1' | C2' | H2' | 116.1° | 110.5° |
| C2' | C1' | N1 | 110.6° | 110.4° |
| C2' | C1' | H1' | 109.5° | 110.4° |
| N1 | C1' | H1' | 108.5° | 110.4° |
| C1' | N1 | C2 | 118.0° | 119.8° |
| C1' | N1 | C6 | 121.6° | 119.8° |
| C2 | N1 | C6 | 120.4° | 120.3° |
| N1 | C2 | O2 | 118.5° | 119.5° |
| N1 | C2 | N3 | 119.5° | 121.1° |
| N1 | C6 | C5 | 120.9° | 119.3° |
| N1 | C6 | H6 | 119.6° | 120.4° |
| O2 | C2 | N3 | 122.0° | 119.4° |
| C2 | N3 | C4 | 119.9° | 120.7° |
| N3 | C4 | N4 | 117.7° | 120.1° |
| N3 | C4 | C5 | 122.0° | 119.6° |
| N4 | C4 | C5 | 120.3° | 120.2° |
| C4 | N4 | HN41 | 109.7° | 120.0° |
| C4 | N4 | HN42 | 125.1° | 120.0° |
| C4 | C5 | C6 | 117.3° | 119.0° |
| C4 | C5 | H5 | 121.3° | 120.5° |
| HN41 | N4 | HN42 | 125.2° | 120.0° |
| C6 | C5 | H5 | 121.3° | 120.5° |
| C5 | C6 | H6 | 119.6° | 120.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3P | P | O1P | O5' | 112.5° | 120.0° |
| O3P | P | O1P | S | 123.5° | 120.0° |
| O3P | P | O5' | S | 113.6° | 120.0° |
| O3P | P | O5' | C5' | 33.2° | 175.0° |
| O3P | P | S | HS | 3.1° | 60.0° |
| HO3P | O3P | P | O1P | 63.9° | 180.0° |
| HO3P | O3P | P | O5' | 51.5° | 60.0° |
| HO3P | O3P | P | S | 164.7° | 60.0° |
| O1P | P | O5' | S | 132.0° | 120.0° |
| O1P | P | O5' | C5' | 81.3° | 55.0° |
| O1P | P | S | HS | 126.6° | 59.9° |
| P | O5' | C5' | C4' | 141.1° | 180.0° |
| P | O5' | C5' | H5'1 | 21.0° | 60.0° |
| P | O5' | C5' | H5'2 | 99.0° | 60.0° |
| O5' | P | S | HS | 108.4° | 180.0° |
| S | P | O5' | C5' | 146.7° | 65.0° |
| O5' | C5' | C4' | H5'1 | 120.0° | 120.0° |
| O5' | C5' | C4' | H5'2 | 119.9° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 119.9° | 120.1° |
| O5' | C5' | C4' | O4' | 76.9° | 66.5° |
| O5' | C5' | C4' | C3' | 38.6° | 178.1° |
| O5' | C5' | C4' | H4' | 159.8° | 55.8° |
| C4' | C5' | H5'1 | H5'2 | 119.9° | 120.0° |
| C5' | C4' | O4' | C3' | 121.8° | 119.0° |
| C5' | C4' | O4' | H4' | 117.3° | 122.2° |
| C5' | C4' | C3' | H4' | 117.3° | 122.3° |
| C5' | C4' | O4' | C1' | 144.5° | 159.5° |
| C5' | C4' | C3' | O3' | 79.4° | 98.4° |
| C5' | C4' | C3' | C2' | 156.4° | 142.9° |
| C5' | C4' | C3' | H3' | 35.8° | 24.2° |
| H5'1 | C5' | C4' | O4' | 43.1° | 173.5° |
| H5'1 | C5' | C4' | C3' | 158.7° | 58.1° |
| H5'1 | C5' | C4' | H4' | 80.2° | 64.3° |
| H5'2 | C5' | C4' | O4' | 163.1° | 53.5° |
| H5'2 | C5' | C4' | C3' | 81.3° | 61.9° |
| H5'2 | C5' | C4' | H4' | 39.9° | 175.7° |
| O4' | C4' | C3' | H4' | 123.1° | 118.8° |
| O4' | C4' | C3' | O3' | 161.0° | 142.8° |
| O4' | C4' | C3' | C2' | 36.9° | 24.1° |
| O4' | C4' | C3' | H3' | 83.7° | 94.7° |
| C4' | O4' | C1' | C2' | 0.4° | 40.5° |
| C4' | O4' | C1' | N1 | 119.9° | 159.3° |
| C4' | O4' | C1' | H1' | 120.5° | 78.4° |
| C3' | C4' | O4' | C1' | 22.8° | 40.5° |
| C4' | C3' | O3' | C2' | 117.6° | 114.7° |
| C4' | C3' | O3' | H3' | 122.1° | 122.6° |
| C4' | C3' | C2' | H3' | 122.3° | 118.7° |
| C4' | C3' | O3' | HO3' | 142.0° | 180.0° |
| C4' | C3' | C2' | O2' | 81.6° | 118.8° |
| C4' | C3' | C2' | C1' | 36.0° | 0.1° |
| C4' | C3' | C2' | H2' | 160.5° | 118.7° |
| H4' | C4' | O4' | C1' | 98.2° | 78.3° |
| H4' | C4' | C3' | O3' | 37.9° | 24.0° |
| H4' | C4' | C3' | C2' | 86.2° | 94.8° |
| H4' | C4' | C3' | H3' | 153.2° | 146.5° |
| O4' | C1' | C2' | C3' | 23.0° | 23.9° |
| O4' | C1' | C2' | O2' | 97.3° | 142.6° |
| O4' | C1' | C2' | N1 | 119.2° | 118.9° |
| O4' | C1' | C2' | H1' | 121.2° | 118.9° |
| O4' | C1' | C2' | H2' | 145.0° | 94.7° |
| O4' | C1' | N1 | H1' | 121.2° | 122.2° |
| O4' | C1' | N1 | C2 | 150.2° | 52.0° |
| O4' | C1' | N1 | C6 | 30.4° | 128.0° |
| O3' | C3' | C2' | H3' | 115.2° | 122.6° |
| O3' | C3' | C2' | O2' | 40.9° | 0.1° |
| O3' | C3' | C2' | C1' | 158.6° | 118.8° |
| O3' | C3' | C2' | H2' | 77.0° | 122.7° |
| C2' | C3' | O3' | HO3' | 100.4° | 65.3° |
| C3' | C2' | O2' | C1' | 112.3° | 114.7° |
| C3' | C2' | O2' | H2' | 122.7° | 122.6° |
| C3' | C2' | C1' | H2' | 122.0° | 118.6° |
| C3' | C2' | O2' | HO2' | 59.3° | 61.4° |
| C3' | C2' | C1' | N1 | 96.2° | 142.7° |
| C3' | C2' | C1' | H1' | 144.2° | 95.0° |
| H3' | C3' | O3' | HO3' | 19.9° | 57.4° |
| H3' | C3' | C2' | O2' | 156.0° | 122.5° |
| H3' | C3' | C2' | C1' | 86.3° | 118.6° |
| H3' | C3' | C2' | H2' | 38.2° | 0.0° |
| O2' | C2' | C1' | H2' | 117.7° | 122.7° |
| O2' | C2' | C1' | N1 | 143.5° | 98.6° |
| O2' | C2' | C1' | H1' | 23.9° | 23.7° |
| C1' | C2' | O2' | HO2' | 171.6° | 176.1° |
| C2' | C1' | N1 | H1' | 120.2° | 122.3° |
| C2' | C1' | N1 | C2 | 91.2° | 63.4° |
| C2' | C1' | N1 | C6 | 88.2° | 116.5° |
| H2' | C2' | O2' | HO2' | 63.4° | 61.1° |
| H2' | C2' | C1' | N1 | 25.8° | 24.2° |
| H2' | C2' | C1' | H1' | 93.8° | 146.4° |
| C1' | N1 | C2 | C6 | 179.4° | 180.0° |
| C1' | N1 | C2 | O2 | 0.1° | 0.0° |
| C1' | N1 | C2 | N3 | 179.7° | 180.0° |
| C1' | N1 | C6 | C5 | 179.1° | 179.7° |
| C1' | N1 | C6 | H6 | 0.9° | 0.0° |
| H1' | C1' | N1 | C2 | 29.0° | 174.3° |
| H1' | C1' | N1 | C6 | 151.6° | 5.8° |
| N1 | C2 | O2 | N3 | 179.8° | 180.0° |
| N1 | C2 | N3 | C4 | 0.9° | 0.1° |
| C2 | N1 | C6 | C5 | 0.3° | 0.3° |
| C2 | N1 | C6 | H6 | 179.7° | 180.0° |
| C6 | N1 | C2 | O2 | 179.5° | 180.0° |
| C6 | N1 | C2 | N3 | 0.3° | 0.0° |
| N1 | C6 | C5 | C4 | 0.3° | 0.6° |
| N1 | C6 | C5 | H6 | 180.0° | 179.7° |
| N1 | C6 | C5 | H5 | 179.7° | 180.0° |
| O2 | C2 | N3 | C4 | 179.0° | 180.0° |
| C2 | N3 | C4 | N4 | 179.1° | 180.0° |
| C2 | N3 | C4 | C5 | 0.8° | 0.2° |
| N3 | C4 | N4 | C5 | 180.0° | 179.7° |
| N3 | C4 | N4 | HN41 | 180.0° | 0.0° |
| N3 | C4 | N4 | HN42 | 0.0° | 179.7° |
| N3 | C4 | C5 | C6 | 0.2° | 0.5° |
| N3 | C4 | C5 | H5 | 179.8° | 179.9° |
| C4 | N4 | HN41 | HN42 | 180.0° | 179.7° |
| N4 | C4 | C5 | C6 | 179.7° | 179.7° |
| N4 | C4 | C5 | H5 | 0.3° | 0.3° |
| C5 | C4 | N4 | HN41 | 0.0° | 179.7° |
| C5 | C4 | N4 | HN42 | 180.0° | 0.6° |
| C4 | C5 | C6 | H5 | 180.0° | 179.4° |
| C4 | C5 | C6 | H6 | 179.7° | 179.7° |
| H5 | C5 | C6 | H6 | 0.4° | 0.3° |
