(4s-trans)-4-(amino)-5,6-dihydro-6-methyl-4h-thieno (2,3-b)thiopyran-2-sulfonamide-7,7-dioxide (PTS) Summary
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- (4s-trans)-4-(amino)-5,6-dihydro-6-methyl-4h-thieno (2,3-b)thiopyran-2-sulfonamide-7,7-dioxide (PTS) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | S1.1-C2.2-C3.3-C4.43-2-1-0 S1.4-C2.3-C3.2-C4.1 | -2.219 | Rigid Ring |
| 2 | S1.1-C2.2-S10.10-O11.1110-9-1-0 S1.11-C2.10-S10.2-O11.1 | 36.871 | Flexible |
| 3 | S1.1-C2.2-S10.10-O12.1211-9-1-0 S1.12-C2.10-S10.2-O12.1 | -93.921 | Flexible |
| 4 | S1.1-C2.2-S10.10-N13.1312-9-1-0 S1.13-C2.10-S10.2-N13.1 | 151.695 | Flexible |
| 5 | S1.1-C9.9-C4.4-C3.32-3-8-0 S1.3-C9.4-C4.9-C3.1 | 4.411 | Rigid Ring |
| 6 | S1.1-C9.9-C4.4-C5.54-3-8-0 S1.5-C9.4-C4.9-C5.1 | -179.14 | Rigid Ring |
| 7 | S1.1-C9.9-S8.8-C7.76-7-8-0 S1.7-C9.8-S8.9-C7.1 | -165.182 | Rigid Ring |
| 8 | S1.1-C9.9-S8.8-O16.1615-7-8-0 S1.16-C9.8-S8.9-O16.1 | -51.751 | Rigid |
| 9 | S1.1-C9.9-S8.8-O17.1716-7-8-0 S1.17-C9.8-S8.9-O17.1 | 81.915 | Rigid |
| 10 | C2.2-S1.1-C9.9-C4.43-8-0-1 C2.4-S1.9-C9.1-C4.2 | -4.911 | Rigid Ring |
| 11 | C2.2-S1.1-C9.9-S8.87-8-0-1 C2.8-S1.9-C9.1-S8.2 | -173.671 | Rigid Ring |
| 12 | C2.2-C3.3-C4.4-C5.54-3-2-1 C2.5-C3.4-C4.3-C5.2 | -177.86 | Rigid Ring |
| 13 | C2.2-C3.3-C4.4-C9.98-3-2-1 C2.9-C3.4-C4.3-C9.2 | -1.39 | Rigid Ring |
| 14 | C3.3-C2.2-S10.10-O11.1110-9-1-2 C3.11-C2.10-S10.2-O11.3 | -159.097 | Flexible |
| 15 | C3.3-C2.2-S10.10-O12.1211-9-1-2 C3.12-C2.10-S10.2-O12.3 | 70.111 | Flexible |
| 16 | C3.3-C2.2-S10.10-N13.1312-9-1-2 C3.13-C2.10-S10.2-N13.3 | -44.272 | Flexible |
| 17 | C3.3-C4.4-C5.5-C6.65-4-3-2 C3.6-C4.5-C5.4-C6.3 | -167.163 | Rigid Ring |
| 18 | C3.3-C4.4-C5.5-N14.1413-4-3-2 C3.14-C4.5-C5.4-N14.3 | 72.64 | Rigid |
| 19 | C3.3-C4.4-C9.9-S8.87-8-3-2 C3.8-C4.9-C9.4-S8.3 | 172.991 | Rigid Ring |
| 20 | C4.4-C3.3-C2.2-S10.109-1-2-3 C4.10-C3.2-C2.3-S10.4 | -167.812 | Rigid |
| 21 | C4.4-C5.5-C6.6-C7.76-5-4-3 C4.7-C5.6-C6.5-C7.4 | -48.267 | Rigid Ring |
| 22 | C4.4-C9.9-S8.8-C7.76-7-8-3 C4.7-C9.8-S8.9-C7.4 | 27.421 | Rigid Ring |
| 23 | C4.4-C9.9-S8.8-O16.1615-7-8-3 C4.16-C9.8-S8.9-O16.4 | 140.852 | Rigid |
| 24 | C4.4-C9.9-S8.8-O17.1716-7-8-3 C4.17-C9.8-S8.9-O17.4 | -85.482 | Rigid |
| 25 | C5.5-C4.4-C9.9-S8.87-8-3-4 C5.8-C4.9-C9.4-S8.5 | -10.56 | Rigid Ring |
| 26 | C5.5-C6.6-C7.7-S8.87-6-5-4 C5.8-C6.7-C7.6-S8.5 | 69.683 | Rigid Ring |
| 27 | C5.5-C6.6-C7.7-C15.1514-6-5-4 C5.15-C6.7-C7.6-C15.5 | -174.558 | Rigid |
| 28 | C6.6-C5.5-C4.4-C9.98-3-4-5 C6.9-C5.4-C4.5-C9.6 | 16.849 | Rigid Ring |
| 29 | C6.6-C7.7-S8.8-C9.98-7-6-5 C6.9-C7.8-S8.7-C9.6 | -54.068 | Rigid Ring |
| 30 | C6.6-C7.7-S8.8-O16.1615-7-6-5 C6.16-C7.8-S8.7-O16.6 | -170.608 | Rigid |
| 31 | C6.6-C7.7-S8.8-O17.1716-7-6-5 C6.17-C7.8-S8.7-O17.6 | 61.072 | Rigid |
| 32 | C7.7-C6.6-C5.5-N14.1413-4-5-6 C7.14-C6.5-C5.6-N14.7 | 74.216 | Rigid |
| 33 | C9.9-S1.1-C2.2-C3.32-1-0-8 C9.3-S1.2-C2.1-C3.9 | 4.088 | Rigid Ring |
| 34 | C9.9-S1.1-C2.2-S10.109-1-0-8 C9.10-S1.2-C2.1-S10.9 | 169.726 | Rigid |
| 35 | C9.9-C4.4-C5.5-N14.1413-4-3-8 C9.14-C4.5-C5.4-N14.9 | -103.348 | Rigid |
| 36 | C9.9-S8.8-C7.7-C15.1514-6-7-8 C9.15-S8.7-C7.8-C15.9 | -175.337 | Rigid |
| 37 | C15.15-C7.7-S8.8-O16.1615-7-6-14 C15.16-C7.8-S8.7-O16.15 | 68.123 | Rigid |
| 38 | C15.15-C7.7-S8.8-O17.1716-7-6-14 C15.17-C7.8-S8.7-O17.15 | -60.197 | Rigid |
Dihedrals Histogram