5TM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3S | S | doub | 1.42Å | 1.51Å | |
| O2S | S | doub | 1.42Å | 1.51Å | |
| O1S | S | sing | 1.52Å | 1.51Å | |
| S | O2 | sing | 1.52Å | 1.52Å | |
| O2 | C2 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| O4 | C4 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C1 | O5 | sing | 1.43Å | 1.44Å | |
| S' | O3 | sing | 1.52Å | 1.51Å | |
| S' | O3X | sing | 1.52Å | 1.51Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| O5 | C5 | sing | 1.43Å | 1.46Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | O6 | sing | 1.43Å | 1.43Å | |
| C1 | O1 | sing | 1.43Å | 1.39Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| O3X | H10 | sing | 0.97Å | 0.95Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O1S | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3S | S | O2S | 109.2° | 123.1° |
| O3S | S | O1S | 109.3° | 106.4° |
| O3S | S | O2 | 109.3° | 106.4° |
| O2S | S | O1S | 109.4° | 106.4° |
| O2S | S | O2 | 110.0° | 106.4° |
| O1S | S | O2 | 109.6° | 107.2° |
| S | O1S | H12 | 109.5° | 114.0° |
| S | O2 | C2 | 112.7° | 114.0° |
| O2 | C2 | C3 | 109.9° | 109.5° |
| O2 | C2 | C1 | 109.8° | 109.6° |
| O2 | C2 | H2 | 110.4° | 109.6° |
| C3 | C2 | C1 | 109.0° | 109.2° |
| C2 | C3 | C4 | 110.3° | 109.0° |
| C2 | C3 | O3 | 109.9° | 109.6° |
| C3 | C2 | H2 | 109.0° | 109.5° |
| C2 | C3 | H3 | 108.5° | 109.6° |
| C2 | C1 | O5 | 110.2° | 109.4° |
| C2 | C1 | O1 | 110.4° | 109.4° |
| C2 | C1 | H1 | 108.1° | 109.5° |
| C1 | C2 | H2 | 108.8° | 109.5° |
| O4 | C4 | C3 | 109.7° | 109.5° |
| O4 | C4 | C5 | 109.4° | 109.5° |
| O4 | C4 | H4 | 109.9° | 109.6° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C4 | C3 | O3 | 109.8° | 109.5° |
| C3 | C4 | C5 | 111.2° | 109.2° |
| C4 | C3 | H3 | 108.4° | 109.5° |
| C3 | C4 | H4 | 108.3° | 109.6° |
| C3 | O3 | S' | 112.3° | 114.0° |
| O3 | C3 | H3 | 109.9° | 109.6° |
| C1 | O5 | C5 | 113.1° | 114.1° |
| O5 | C1 | O1 | 108.6° | 109.5° |
| O5 | C1 | H1 | 109.4° | 109.5° |
| O3 | S' | O3X | 109.3° | 103.0° |
| S' | O3X | H10 | 109.5° | 114.0° |
| C4 | C5 | O5 | 110.5° | 109.4° |
| C4 | C5 | C6 | 114.9° | 109.5° |
| C5 | C4 | H4 | 108.3° | 109.5° |
| C4 | C5 | H5 | 107.3° | 109.5° |
| O5 | C5 | C6 | 108.3° | 109.4° |
| O5 | C5 | H5 | 108.2° | 109.5° |
| C5 | C6 | O6 | 110.5° | 109.5° |
| C6 | C5 | H5 | 107.4° | 109.5° |
| C5 | C6 | H61 | 109.2° | 109.5° |
| C5 | C6 | H62 | 109.2° | 109.4° |
| O6 | C6 | H61 | 109.2° | 109.5° |
| O6 | C6 | H62 | 109.2° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| O1 | C1 | H1 | 110.1° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 113.9° |
| H61 | C6 | H62 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3S | S | O2S | O1S | 119.5° | 122.9° |
| O3S | S | O2S | O2 | 120.0° | 123.0° |
| O3S | S | O1S | O2 | 119.8° | 113.6° |
| O3S | S | O2 | C2 | 178.2° | 38.5° |
| O3S | S | O1S | H12 | 0.0° | 66.4° |
| O2S | S | O1S | O2 | 120.7° | 113.6° |
| O2S | S | O2 | C2 | 58.2° | 171.5° |
| O2S | S | O1S | H12 | 119.5° | 66.4° |
| O1S | S | O2 | C2 | 62.1° | 75.0° |
| S | O2 | C2 | C3 | 113.7° | 145.0° |
| S | O2 | C2 | C1 | 126.4° | 95.3° |
| S | O2 | C2 | H2 | 6.5° | 24.9° |
| O2 | S | O1S | H12 | 119.8° | 180.0° |
| O2 | C2 | C3 | C1 | 120.4° | 119.9° |
| O2 | C2 | C3 | H2 | 121.1° | 120.2° |
| O2 | C2 | C1 | H2 | 120.9° | 120.2° |
| O2 | C2 | C3 | C4 | 65.1° | 176.9° |
| O2 | C2 | C3 | O3 | 173.7° | 63.3° |
| O2 | C2 | C1 | O5 | 61.5° | 177.5° |
| O2 | C2 | C1 | O1 | 58.5° | 57.5° |
| O2 | C2 | C1 | H1 | 179.0° | 62.5° |
| O2 | C2 | C3 | H3 | 53.6° | 57.1° |
| C3 | C2 | C1 | H2 | 118.7° | 119.9° |
| C2 | C3 | C4 | O4 | 68.0° | 176.9° |
| C2 | C3 | C4 | O3 | 121.3° | 119.9° |
| C2 | C3 | C4 | H3 | 118.6° | 119.9° |
| C2 | C3 | O3 | H3 | 119.3° | 120.3° |
| C3 | C2 | C1 | O5 | 59.0° | 57.6° |
| C2 | C3 | O3 | S' | 126.6° | 145.0° |
| C2 | C3 | C4 | C5 | 53.2° | 57.0° |
| C3 | C2 | C1 | O1 | 179.0° | 62.4° |
| C3 | C2 | C1 | H1 | 60.5° | 177.6° |
| C2 | C3 | C4 | H4 | 172.1° | 63.0° |
| C1 | C2 | C3 | C4 | 55.3° | 56.9° |
| C1 | C2 | C3 | O3 | 65.9° | 176.8° |
| C2 | C1 | O5 | O1 | 121.1° | 119.9° |
| C2 | C1 | O5 | H1 | 118.7° | 120.0° |
| C2 | C1 | O5 | C5 | 61.4° | 61.1° |
| C2 | C1 | O1 | H1 | 119.3° | 120.0° |
| C1 | C2 | C3 | H3 | 173.9° | 62.9° |
| C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
| O4 | C4 | C3 | C5 | 121.2° | 119.9° |
| O4 | C4 | C3 | H4 | 119.9° | 120.2° |
| O4 | C4 | C3 | O3 | 170.7° | 63.3° |
| O4 | C4 | C5 | H4 | 119.8° | 120.2° |
| O4 | C4 | C5 | O5 | 68.2° | 177.5° |
| O4 | C4 | C5 | C6 | 169.0° | 62.5° |
| O4 | C4 | C3 | H3 | 50.7° | 57.0° |
| O4 | C4 | C5 | H5 | 49.6° | 57.5° |
| C4 | C3 | O3 | H3 | 119.2° | 120.2° |
| C4 | C3 | O3 | S' | 111.8° | 95.4° |
| C3 | C4 | C5 | H4 | 118.9° | 119.9° |
| C3 | C4 | C5 | O5 | 53.1° | 57.7° |
| C3 | C4 | C5 | C6 | 69.7° | 177.6° |
| C4 | C3 | C2 | H2 | 173.9° | 62.9° |
| C3 | C4 | C5 | H5 | 170.9° | 62.4° |
| C3 | C4 | O4 | HO4 | 180.0° | 180.0° |
| C3 | O3 | S' | O3X | 176.2° | 180.0° |
| O3 | C3 | C4 | C5 | 68.1° | 176.8° |
| O3 | C3 | C2 | H2 | 52.7° | 56.9° |
| O3 | C3 | C4 | H4 | 50.8° | 56.9° |
| C1 | O5 | C5 | C4 | 58.1° | 61.2° |
| C1 | O5 | C5 | C6 | 68.6° | 178.8° |
| O5 | C1 | O1 | H1 | 119.7° | 120.0° |
| O5 | C1 | C2 | H2 | 177.7° | 62.3° |
| C1 | O5 | C5 | H5 | 175.3° | 58.9° |
| O5 | C1 | O1 | HO1 | 59.0° | 60.0° |
| S' | O3 | C3 | H3 | 7.4° | 24.8° |
| O3 | S' | O3X | H10 | 180.0° | 180.0° |
| C4 | C5 | O5 | C6 | 126.7° | 120.0° |
| C4 | C5 | O5 | H5 | 117.2° | 120.0° |
| C4 | C5 | C6 | H5 | 119.3° | 120.0° |
| C4 | C5 | C6 | O6 | 120.4° | 175.0° |
| C5 | C4 | C3 | H3 | 171.9° | 62.9° |
| C4 | C5 | C6 | H61 | 0.2° | 55.0° |
| C4 | C5 | C6 | H62 | 119.5° | 65.0° |
| C5 | C4 | O4 | HO4 | 57.8° | 60.4° |
| O5 | C5 | C6 | H5 | 116.7° | 120.1° |
| O5 | C5 | C6 | O6 | 115.6° | 65.1° |
| C5 | O5 | C1 | O1 | 177.5° | 58.8° |
| C5 | O5 | C1 | H1 | 57.3° | 178.8° |
| O5 | C5 | C4 | H4 | 172.1° | 62.3° |
| O5 | C5 | C6 | H61 | 124.3° | 174.9° |
| O5 | C5 | C6 | H62 | 4.6° | 54.9° |
| C5 | C6 | O6 | H61 | 120.2° | 120.0° |
| C5 | C6 | O6 | H62 | 120.2° | 120.0° |
| C6 | C5 | C4 | H4 | 49.2° | 57.7° |
| C5 | C6 | H61 | H62 | 119.5° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O6 | C6 | C5 | H5 | 1.1° | 55.0° |
| O6 | C6 | H61 | H62 | 119.5° | 120.0° |
| O1 | C1 | C2 | H2 | 62.3° | 177.8° |
| H1 | C1 | C2 | H2 | 58.2° | 57.8° |
| H1 | C1 | O1 | HO1 | 60.7° | 60.0° |
| H2 | C2 | C3 | H3 | 67.5° | 177.3° |
| H3 | C3 | C4 | H4 | 69.2° | 177.2° |
| H4 | C4 | C5 | H5 | 70.1° | 177.6° |
| H4 | C4 | O4 | HO4 | 61.0° | 59.8° |
| H5 | C5 | C6 | H61 | 119.1° | 65.0° |
| H5 | C5 | C6 | H62 | 121.2° | 175.0° |
| H61 | C6 | O6 | HO6 | 59.8° | 60.0° |
| H62 | C6 | O6 | HO6 | 59.8° | 60.0° |
