4-hydroxy-3-[2-oxo-3-(thieno[3,2-b]pyridine-2-sulfonylamino)-pyrrolidin-1-ylmethyl]-benzamidine (PR1) Summary
- Home
- 4-hydroxy-3-[2-oxo-3-(thieno[3,2-b]pyridine-2-sulfonylamino)-pyrrolidin-1-ylmethyl]-benzamidine (PR1) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | C1.1-C2.2-C3.3-C4.43-2-1-0 C1.4-C2.3-C3.2-C4.1 | -0.037 | Rigid Ring |
| 2 | C1.1-C2.2-C3.3-O44.1110-2-1-0 C1.11-C2.3-C3.2-O44.1 | -179.799 | Rigid |
| 3 | C1.1-C6.6-C5.5-C4.43-4-5-0 C1.4-C6.5-C5.6-C4.1 | -0.224 | Rigid Ring |
| 4 | C1.1-C6.6-C10.7-N11.87-6-5-0 C1.8-C6.7-C10.6-N11.1 | 169.714 | Rigid |
| 5 | C1.1-C6.6-C10.7-N12.98-6-5-0 C1.9-C6.7-C10.6-N12.1 | -10.071 | Rigid |
| 6 | C2.2-C1.1-C6.6-C5.54-5-0-1 C2.5-C1.6-C6.1-C5.2 | 0.239 | Rigid Ring |
| 7 | C2.2-C1.1-C6.6-C10.76-5-0-1 C2.7-C1.6-C6.1-C10.2 | -178.581 | Rigid |
| 8 | C2.2-C3.3-C4.4-C5.54-3-2-1 C2.5-C3.4-C4.3-C5.2 | 0.054 | Rigid Ring |
| 9 | C2.2-C3.3-C4.4-C13.109-3-2-1 C2.10-C3.4-C4.3-C13.2 | -179.583 | Rigid |
| 10 | C3.3-C4.4-C5.5-C6.65-4-3-2 C3.6-C4.5-C5.4-C6.3 | 0.081 | Rigid Ring |
| 11 | C3.3-C4.4-C13.10-N28.2120-9-3-2 C3.21-C4.10-C13.4-N28.3 | 96.172 | Flexible |
| 12 | C4.4-C5.5-C6.6-C10.76-5-4-3 C4.7-C5.6-C6.5-C10.4 | 178.601 | Rigid |
| 13 | C4.4-C13.10-N28.21-C29.2221-20-9-3 C4.22-C13.21-N28.10-C29.4 | 130.184 | Flexible |
| 14 | C4.4-C13.10-N28.21-C32.2524-20-9-3 C4.25-C13.21-N28.10-C32.4 | -61.106 | Flexible |
| 15 | C5.5-C4.4-C3.3-O44.1110-2-3-4 C5.11-C4.3-C3.4-O44.5 | 179.816 | Rigid |
| 16 | C5.5-C4.4-C13.10-N28.2120-9-3-4 C5.21-C4.10-C13.4-N28.5 | -83.464 | Flexible |
| 17 | C5.5-C6.6-C10.7-N11.87-6-5-4 C5.8-C6.7-C10.6-N11.5 | -9.058 | Rigid |
| 18 | C5.5-C6.6-C10.7-N12.98-6-5-4 C5.9-C6.7-C10.6-N12.5 | 171.157 | Rigid |
| 19 | C6.6-C1.1-C2.2-C3.32-1-0-5 C6.3-C1.2-C2.1-C3.6 | -0.115 | Rigid Ring |
| 20 | C6.6-C5.5-C4.4-C13.109-3-4-5 C6.10-C5.4-C4.5-C13.6 | 179.731 | Rigid |
| 21 | C13.10-C4.4-C3.3-O44.1110-2-3-9 C13.11-C4.3-C3.4-O44.10 | 0.179 | Rigid |
| 22 | C13.10-N28.21-C29.22-C30.2322-21-20-9 C13.23-N28.22-C29.21-C30.10 | -178.327 | Rigid |
| 23 | C13.10-N28.21-C29.22-O41.3029-21-20-9 C13.30-N28.22-C29.21-O41.10 | 2.099 | Rigid |
| 24 | C13.10-N28.21-C32.25-C31.2423-24-20-9 C13.24-N28.25-C32.21-C31.10 | -161.185 | Rigid |
| 25 | C16.12-C17.13-C18.14-C19.1514-13-12-11 C16.15-C17.14-C18.13-C19.12 | -0.113 | Rigid Ring |
| 26 | C16.12-C21.17-N20.16-C19.1514-15-16-11 C16.15-C21.16-N20.17-C19.12 | 0.146 | Rigid Ring |
| 27 | C16.12-C21.17-C25.18-C26.1918-17-16-11 C16.19-C21.18-C25.17-C26.12 | 0.171 | Rigid Ring |
| 28 | C16.12-S27.20-C26.19-C25.1817-18-19-11 C16.18-S27.19-C26.20-C25.12 | -0.012 | Rigid Ring |
| 29 | C16.12-S27.20-C26.19-S38.2726-18-19-11 C16.27-S27.19-C26.20-S38.12 | -178.753 | Rigid |
| 30 | C17.13-C16.12-C21.17-N20.1615-16-11-12 C17.16-C16.17-C21.12-N20.13 | -0.181 | Rigid Ring |
| 31 | C17.13-C16.12-C21.17-C25.1817-16-11-12 C17.18-C16.17-C21.12-C25.13 | -179.509 | Rigid Ring |
| 32 | C17.13-C16.12-S27.20-C26.1918-19-11-12 C17.19-C16.20-S27.12-C26.13 | 179.3 | Rigid Ring |
| 33 | C17.13-C18.14-C19.15-N20.1615-14-13-12 C17.16-C18.15-C19.14-N20.13 | 0.068 | Rigid Ring |
| 34 | C18.14-C17.13-C16.12-C21.1716-11-12-13 C18.17-C17.12-C16.13-C21.14 | 0.166 | Rigid Ring |
| 35 | C18.14-C17.13-C16.12-S27.2019-11-12-13 C18.20-C17.12-C16.13-S27.14 | -178.988 | Rigid Ring |
| 36 | C18.14-C19.15-N20.16-C21.1716-15-14-13 C18.17-C19.16-N20.15-C21.14 | -0.09 | Rigid Ring |
| 37 | C19.15-N20.16-C21.17-C25.1817-16-15-14 C19.18-N20.17-C21.16-C25.15 | 179.318 | Rigid Ring |
| 38 | N20.16-C21.17-C16.12-S27.2019-11-16-15 N20.20-C21.12-C16.17-S27.16 | 179.147 | Rigid Ring |
| 39 | N20.16-C21.17-C25.18-C26.1918-17-16-15 N20.19-C21.18-C25.17-C26.16 | -179.046 | Rigid Ring |
| 40 | C21.17-C16.12-S27.20-C26.1918-19-11-16 C21.19-C16.20-S27.12-C26.17 | 0.106 | Rigid Ring |
| 41 | C21.17-C25.18-C26.19-S27.2019-18-17-16 C21.20-C25.19-C26.18-S27.17 | -0.095 | Rigid Ring |
| 42 | C21.17-C25.18-C26.19-S38.2726-18-17-16 C21.27-C25.19-C26.18-S38.17 | 178.647 | Rigid |
| 43 | C25.18-C21.17-C16.12-S27.2019-11-16-17 C25.20-C21.12-C16.17-S27.18 | -0.181 | Rigid Ring |
| 44 | C25.18-C26.19-S38.27-N37.2625-26-18-17 C25.26-C26.27-S38.19-N37.18 | -69.66 | Flexible |
| 45 | C25.18-C26.19-S38.27-O39.2827-26-18-17 C25.28-C26.27-S38.19-O39.18 | 178.386 | Flexible |
| 46 | C25.18-C26.19-S38.27-O40.2928-26-18-17 C25.29-C26.27-S38.19-O40.18 | 42.156 | Flexible |
| 47 | C26.19-S38.27-N37.26-C30.2322-25-26-18 C26.23-S38.26-N37.27-C30.19 | -63.6 | Flexible |
| 48 | S27.20-C26.19-S38.27-N37.2625-26-18-19 S27.26-C26.27-S38.19-N37.20 | 108.974 | Flexible |
| 49 | S27.20-C26.19-S38.27-O39.2827-26-18-19 S27.28-C26.27-S38.19-O39.20 | -2.981 | Flexible |
| 50 | S27.20-C26.19-S38.27-O40.2928-26-18-19 S27.29-C26.27-S38.19-O40.20 | -139.211 | Flexible |
| 51 | N28.21-C29.22-C30.23-C31.2423-22-21-20 N28.24-C29.23-C30.22-C31.21 | -27.654 | Flexible Ring |
| 52 | N28.21-C29.22-C30.23-N37.2625-22-21-20 N28.26-C29.23-C30.22-N37.21 | -135.284 | Flexible |
| 53 | N28.21-C32.25-C31.24-C30.2322-23-24-20 N28.23-C32.24-C31.25-C30.21 | -25.316 | Flexible Ring |
| 54 | C29.22-N28.21-C32.25-C31.2423-24-20-21 C29.24-N28.25-C32.21-C31.22 | 8.763 | Rigid Ring |
| 55 | C29.22-C30.23-C31.24-C32.2524-23-22-21 C29.25-C30.24-C31.23-C32.22 | 32.119 | Flexible Ring |
| 56 | C29.22-C30.23-N37.26-S38.2726-25-22-21 C29.27-C30.26-N37.23-S38.22 | -129.07 | Flexible |
| 57 | C30.23-C29.22-N28.21-C32.2524-20-21-22 C30.25-C29.21-N28.22-C32.23 | 12.02 | Rigid Ring |
| 58 | C30.23-N37.26-S38.27-O39.2827-26-25-22 C30.28-N37.27-S38.26-O39.23 | 52.218 | Flexible |
| 59 | C30.23-N37.26-S38.27-O40.2928-26-25-22 C30.29-N37.27-S38.26-O40.23 | -179.709 | Flexible |
| 60 | C31.24-C30.23-C29.22-O41.3029-21-22-23 C31.30-C30.22-C29.23-O41.24 | 151.926 | Flexible |
| 61 | C31.24-C30.23-N37.26-S38.2726-25-22-23 C31.27-C30.26-N37.23-S38.24 | 120.388 | Flexible |
| 62 | C32.25-N28.21-C29.22-O41.3029-21-20-24 C32.30-N28.22-C29.21-O41.25 | -167.554 | Rigid |
| 63 | C32.25-C31.24-C30.23-N37.2625-22-23-24 C32.26-C31.23-C30.24-N37.25 | 159.705 | Flexible |
| 64 | N37.26-C30.23-C29.22-O41.3029-21-22-25 N37.30-C30.22-C29.23-O41.26 | 44.297 | Flexible |
Dihedrals Histogram