S5P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C4 | doub | 1.22Å | 1.25Å | |
| C4 | N3 | sing | 1.35Å | 1.37Å | |
| C4 | C5 | sing | 1.40Å | 1.41Å | |
| C5 | C6 | doub | 1.37Å | 1.43Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | N1 | sing | 1.37Å | 1.36Å | |
| C6 | S22 | sing | 1.76Å | 1.80Å | |
| S22 | H12 | sing | 1.41Å | 1.30Å | |
| N3 | C2 | sing | 1.35Å | 1.41Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C2 | O2 | doub | 1.22Å | 1.28Å | |
| C2 | N1 | sing | 1.35Å | 1.41Å | |
| N1 | C1' | sing | 1.47Å | 1.52Å | |
| C1' | C2' | sing | 1.55Å | 1.55Å | |
| C1' | O4' | sing | 1.44Å | 1.46Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| O4' | C4' | sing | 1.44Å | 1.44Å | |
| C2' | C3' | sing | 1.55Å | 1.54Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | C2' | sing | 1.43Å | 1.47Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C3' | C4' | sing | 1.54Å | 1.53Å | |
| C3' | O3' | sing | 1.43Å | 1.38Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| C5' | O5' | sing | 1.43Å | 1.39Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| O5' | P | sing | 1.61Å | 1.63Å | |
| P | O2P | sing | 1.61Å | 1.45Å | |
| P | O3P | sing | 1.61Å | 1.52Å | |
| O3P | HO3P | sing | 0.97Å | 0.95Å | |
| O1P | P | doub | 1.48Å | 1.46Å | |
| O2P | HO2P | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C4 | N3 | 120.0° | 120.2° |
| O4 | C4 | C5 | 119.9° | 120.2° |
| N3 | C4 | C5 | 119.9° | 119.6° |
| C4 | N3 | C2 | 119.8° | 120.6° |
| C4 | N3 | HN3 | 120.1° | 119.7° |
| C4 | C5 | C6 | 119.7° | 119.0° |
| C4 | C5 | H5 | 120.1° | 120.5° |
| C6 | C5 | H5 | 120.1° | 120.5° |
| C5 | C6 | N1 | 119.6° | 119.4° |
| C5 | C6 | S22 | 119.2° | 120.3° |
| N1 | C6 | S22 | 119.0° | 120.3° |
| C6 | N1 | C2 | 120.2° | 120.4° |
| C6 | N1 | C1' | 119.3° | 119.9° |
| C6 | S22 | H12 | 109.5° | 100.0° |
| C2 | N3 | HN3 | 120.1° | 119.7° |
| N3 | C2 | O2 | 119.7° | 119.5° |
| N3 | C2 | N1 | 120.1° | 121.0° |
| O2 | C2 | N1 | 120.1° | 119.5° |
| C2 | N1 | C1' | 120.3° | 119.8° |
| N1 | C1' | C2' | 111.7° | 110.6° |
| N1 | C1' | O4' | 110.2° | 110.6° |
| N1 | C1' | H1' | 107.1° | 110.5° |
| C2' | C1' | O4' | 108.3° | 103.5° |
| C2' | C1' | H1' | 109.0° | 110.6° |
| C1' | C2' | C3' | 100.3° | 102.1° |
| C1' | C2' | H2' | 112.0° | 110.9° |
| C1' | C2' | O2' | 114.9° | 110.9° |
| O4' | C1' | H1' | 110.6° | 110.8° |
| C1' | O4' | C4' | 109.4° | 107.0° |
| O4' | C4' | C3' | 107.0° | 107.3° |
| O4' | C4' | H4' | 112.6° | 109.9° |
| O4' | C4' | C5' | 107.0° | 109.9° |
| C3' | C2' | H2' | 117.3° | 110.9° |
| C3' | C2' | O2' | 109.3° | 110.9° |
| C2' | C3' | C4' | 106.8° | 104.2° |
| C2' | C3' | O3' | 105.5° | 110.5° |
| C2' | C3' | H3' | 114.3° | 110.5° |
| H2' | C2' | O2' | 103.5° | 110.9° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C4' | C3' | O3' | 111.0° | 110.5° |
| C4' | C3' | H3' | 109.0° | 110.4° |
| C3' | C4' | H4' | 110.3° | 109.8° |
| C3' | C4' | C5' | 109.4° | 109.9° |
| O3' | C3' | H3' | 110.2° | 110.6° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| H4' | C4' | C5' | 110.4° | 110.0° |
| C4' | C5' | O5' | 111.4° | 109.5° |
| C4' | C5' | H5' | 108.8° | 109.5° |
| C4' | C5' | H5'A | 108.4° | 109.4° |
| O5' | C5' | H5' | 108.9° | 109.4° |
| O5' | C5' | H5'A | 108.4° | 109.5° |
| C5' | O5' | P | 120.6° | 123.0° |
| H5' | C5' | H5'A | 110.9° | 109.4° |
| O5' | P | O2P | 108.2° | 109.4° |
| O5' | P | O3P | 98.3° | 109.5° |
| O5' | P | O1P | 110.3° | 109.5° |
| O2P | P | O3P | 113.9° | 109.4° |
| O2P | P | O1P | 112.9° | 109.5° |
| P | O2P | HO2P | 109.5° | 114.0° |
| P | O3P | HO3P | 109.5° | 114.0° |
| O3P | P | O1P | 112.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C4 | N3 | C5 | 174.9° | 179.7° |
| O4 | C4 | C5 | C6 | 179.6° | 180.0° |
| O4 | C4 | C5 | H5 | 0.5° | 0.0° |
| O4 | C4 | N3 | C2 | 179.6° | 180.0° |
| O4 | C4 | N3 | HN3 | 0.4° | 0.0° |
| N3 | C4 | C5 | C6 | 5.5° | 0.3° |
| N3 | C4 | C5 | H5 | 174.4° | 179.7° |
| C4 | N3 | C2 | HN3 | 180.0° | 180.0° |
| C4 | N3 | C2 | O2 | 177.0° | 180.0° |
| C4 | N3 | C2 | N1 | 1.2° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | N1 | 1.4° | 0.0° |
| C4 | C5 | C6 | S22 | 161.2° | 180.0° |
| C5 | C4 | N3 | C2 | 5.5° | 0.3° |
| C5 | C4 | N3 | HN3 | 174.5° | 179.7° |
| C5 | C6 | N1 | S22 | 162.6° | 180.0° |
| C5 | C6 | S22 | H12 | 21.6° | 0.0° |
| C5 | C6 | N1 | C2 | 8.2° | 0.3° |
| C5 | C6 | N1 | C1' | 177.1° | 180.0° |
| H5 | C5 | C6 | N1 | 178.6° | 180.0° |
| H5 | C5 | C6 | S22 | 18.8° | 0.0° |
| N1 | C6 | S22 | H12 | 175.7° | 180.0° |
| C6 | N1 | C2 | N3 | 8.3° | 0.3° |
| C6 | N1 | C2 | O2 | 176.0° | 179.7° |
| C6 | N1 | C2 | C1' | 174.7° | 179.7° |
| C6 | N1 | C1' | C2' | 129.6° | 114.9° |
| C6 | N1 | C1' | O4' | 110.0° | 130.9° |
| C6 | N1 | C1' | H1' | 10.3° | 7.9° |
| S22 | C6 | N1 | C2 | 154.4° | 179.7° |
| S22 | C6 | N1 | C1' | 20.3° | 0.0° |
| N3 | C2 | O2 | N1 | 175.7° | 180.0° |
| N3 | C2 | N1 | C1' | 177.1° | 180.0° |
| HN3 | N3 | C2 | O2 | 3.0° | 0.0° |
| HN3 | N3 | C2 | N1 | 178.7° | 180.0° |
| O2 | C2 | N1 | C1' | 1.4° | 0.0° |
| C2 | N1 | C1' | C2' | 55.7° | 64.8° |
| C2 | N1 | C1' | O4' | 64.7° | 49.3° |
| C2 | N1 | C1' | H1' | 175.0° | 172.4° |
| N1 | C1' | C2' | O4' | 121.5° | 118.6° |
| N1 | C1' | C2' | H1' | 118.1° | 122.8° |
| N1 | C1' | O4' | H1' | 118.2° | 122.9° |
| N1 | C1' | O4' | C4' | 139.8° | 158.6° |
| N1 | C1' | C2' | C3' | 148.8° | 155.6° |
| N1 | C1' | C2' | H2' | 23.5° | 37.4° |
| N1 | C1' | C2' | O2' | 94.2° | 86.2° |
| C2' | C1' | O4' | H1' | 119.4° | 118.5° |
| C2' | C1' | O4' | C4' | 17.4° | 40.0° |
| C1' | C2' | C3' | H2' | 121.5° | 118.2° |
| C1' | C2' | C3' | O2' | 121.2° | 118.2° |
| C1' | C2' | H2' | O2' | 124.3° | 123.7° |
| C1' | C2' | O2' | HO2' | 85.4° | 180.0° |
| C1' | C2' | C3' | C4' | 27.1° | 20.9° |
| C1' | C2' | C3' | O3' | 91.1° | 97.9° |
| C1' | C2' | C3' | H3' | 147.7° | 139.5° |
| O4' | C1' | C2' | C3' | 27.2° | 37.0° |
| O4' | C1' | C2' | H2' | 98.0° | 81.1° |
| O4' | C1' | C2' | O2' | 144.3° | 155.2° |
| C1' | O4' | C4' | C3' | 0.7° | 26.5° |
| C1' | O4' | C4' | H4' | 122.1° | 92.9° |
| C1' | O4' | C4' | C5' | 116.4° | 146.0° |
| H1' | C1' | O4' | C4' | 102.0° | 78.5° |
| H1' | C1' | C2' | C3' | 93.1° | 81.7° |
| H1' | C1' | C2' | H2' | 141.7° | 160.2° |
| H1' | C1' | C2' | O2' | 24.0° | 36.5° |
| O4' | C4' | C3' | C2' | 18.5° | 2.0° |
| O4' | C4' | C3' | H4' | 122.8° | 119.4° |
| O4' | C4' | C3' | C5' | 115.5° | 119.5° |
| O4' | C4' | C3' | O3' | 96.0° | 120.7° |
| O4' | C4' | C3' | H3' | 142.4° | 116.6° |
| O4' | C4' | H4' | C5' | 119.5° | 121.1° |
| O4' | C4' | C5' | O5' | 177.4° | 66.4° |
| O4' | C4' | C5' | H5' | 62.5° | 173.6° |
| O4' | C4' | C5' | H5'A | 58.3° | 53.6° |
| C3' | C2' | H2' | O2' | 120.4° | 123.6° |
| C3' | C2' | O2' | HO2' | 162.8° | 67.3° |
| C2' | C3' | C4' | O3' | 114.5° | 118.7° |
| C2' | C3' | C4' | H3' | 123.9° | 118.6° |
| C2' | C3' | O3' | H3' | 123.8° | 122.6° |
| C2' | C3' | O3' | HO3' | 39.7° | 61.4° |
| C2' | C3' | C4' | H4' | 141.3° | 117.4° |
| C2' | C3' | C4' | C5' | 97.0° | 121.5° |
| H2' | C2' | O2' | HO2' | 37.0° | 56.3° |
| H2' | C2' | C3' | C4' | 94.4° | 97.3° |
| H2' | C2' | C3' | O3' | 147.4° | 144.0° |
| H2' | C2' | C3' | H3' | 26.2° | 21.3° |
| O2' | C2' | C3' | C4' | 148.2° | 139.1° |
| O2' | C2' | C3' | O3' | 30.1° | 20.4° |
| O2' | C2' | C3' | H3' | 91.2° | 102.3° |
| C4' | C3' | O3' | H3' | 120.9° | 122.6° |
| C4' | C3' | O3' | HO3' | 155.0° | 176.2° |
| C3' | C4' | H4' | C5' | 121.0° | 121.1° |
| C3' | C4' | C5' | O5' | 67.0° | 175.7° |
| C3' | C4' | C5' | H5' | 53.0° | 55.7° |
| C3' | C4' | C5' | H5'A | 173.8° | 64.3° |
| O3' | C3' | C4' | H4' | 26.9° | 1.3° |
| O3' | C3' | C4' | C5' | 148.5° | 119.8° |
| H3' | C3' | O3' | HO3' | 84.1° | 61.2° |
| H3' | C3' | C4' | H4' | 94.8° | 124.0° |
| H3' | C3' | C4' | C5' | 26.9° | 2.8° |
| H4' | C4' | C5' | O5' | 54.6° | 54.6° |
| H4' | C4' | C5' | H5' | 174.6° | 65.4° |
| H4' | C4' | C5' | H5'A | 64.6° | 174.7° |
| C4' | C5' | O5' | H5' | 120.0° | 120.0° |
| C4' | C5' | O5' | H5'A | 119.2° | 120.0° |
| C4' | C5' | H5' | H5'A | 119.2° | 120.0° |
| C4' | C5' | O5' | P | 168.3° | 180.0° |
| O5' | C5' | H5' | H5'A | 119.2° | 120.0° |
| C5' | O5' | P | O2P | 60.7° | 65.0° |
| C5' | O5' | P | O3P | 179.3° | 175.0° |
| C5' | O5' | P | O1P | 63.3° | 55.0° |
| H5' | C5' | O5' | P | 71.7° | 60.0° |
| H5'A | C5' | O5' | P | 49.1° | 60.0° |
| O5' | P | O2P | O3P | 108.2° | 120.0° |
| O5' | P | O2P | O1P | 122.4° | 120.0° |
| O5' | P | O3P | O1P | 116.0° | 120.0° |
| O5' | P | O3P | HO3P | 62.6° | 180.0° |
| O5' | P | O2P | HO2P | 82.5° | 60.0° |
| O2P | P | O3P | O1P | 129.8° | 120.0° |
| O2P | P | O3P | HO3P | 176.8° | 60.0° |
| O3P | P | O2P | HO2P | 25.7° | 60.0° |
| HO3P | O3P | P | O1P | 53.4° | 60.0° |
| O1P | P | O2P | HO2P | 155.2° | 180.0° |
