Pteroic acid (PT1) Summary
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- Pteroic acid (PT1) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | C2.1-C3.2-C5.3-N9.65-2-1-0 C2.6-C3.3-C5.2-N9.1 | -1.039 | Rigid Ring |
| 2 | C2.1-C3.2-C5.3-N8.1413-2-1-0 C2.14-C3.3-C5.2-N8.1 | 179.578 | Rigid Ring |
| 3 | C2.1-C3.2-N6.4-C10.76-3-1-0 C2.7-C3.4-N6.2-C10.1 | -179.376 | Rigid Ring |
| 4 | C2.1-N4.13-C7.5-N9.65-4-12-0 C2.6-N4.5-C7.13-N9.1 | 0.802 | Rigid Ring |
| 5 | C2.1-N4.13-C7.5-N11.87-4-12-0 C2.8-N4.5-C7.13-N11.1 | 176.625 | Rigid |
| 6 | C3.2-C2.1-N4.13-C7.54-12-0-1 C3.5-C2.13-N4.1-C7.2 | -1.17 | Rigid Ring |
| 7 | C3.2-C5.3-N9.6-C7.54-5-2-1 C3.5-C5.6-N9.3-C7.2 | 0.656 | Flexible Ring |
| 8 | C3.2-C5.3-N8.14-C12.98-13-2-1 C3.9-C5.14-N8.3-C12.2 | -1.194 | Rigid Ring |
| 9 | C3.2-N6.4-C10.7-C12.98-6-3-1 C3.9-N6.7-C10.4-C12.2 | 1.242 | Rigid Ring |
| 10 | C3.2-N6.4-C10.7-C13.1514-6-3-1 C3.15-N6.7-C10.4-C13.2 | -172.257 | Rigid |
| 11 | C5.3-C3.2-N6.4-C10.76-3-1-2 C5.7-C3.4-N6.2-C10.3 | -1.939 | Rigid Ring |
| 12 | C5.3-N9.6-C7.5-N11.87-4-5-2 C5.8-N9.5-C7.6-N11.3 | -176.423 | Rigid |
| 13 | C5.3-N9.6-C7.5-N4.1312-4-5-2 C5.13-N9.5-C7.6-N4.3 | -0.549 | Flexible Ring |
| 14 | C5.3-N8.14-C12.9-C10.76-8-13-2 C5.7-N8.9-C12.14-C10.3 | 0.489 | Rigid Ring |
| 15 | N6.4-C3.2-C5.3-N9.65-2-1-3 N6.6-C3.3-C5.2-N9.4 | -178.646 | Rigid Ring |
| 16 | N6.4-C3.2-C5.3-N8.1413-2-1-3 N6.14-C3.3-C5.2-N8.4 | 1.972 | Rigid Ring |
| 17 | N6.4-C10.7-C12.9-N8.1413-8-6-3 N6.14-C10.9-C12.7-N8.4 | -0.503 | Rigid Ring |
| 18 | N6.4-C10.7-C13.15-N14.1615-14-6-3 N6.16-C10.15-C13.7-N14.4 | 115.592 | Flexible |
| 19 | C7.5-N9.6-C5.3-N8.1413-2-5-4 C7.14-N9.3-C5.6-N8.5 | -179.943 | Flexible Ring |
| 20 | N9.6-C5.3-N8.14-C12.98-13-2-5 N9.9-C5.14-N8.3-C12.6 | 179.393 | Rigid Ring |
| 21 | C10.7-C13.15-N14.16-C15.1716-15-14-6 C10.17-C13.16-N14.15-C15.7 | -50.12 | Flexible |
| 22 | C12.9-C10.7-C13.15-N14.1615-14-6-8 C12.16-C10.15-C13.7-N14.9 | -57.972 | Flexible |
| 23 | C21.10-C20.22-C18.20-C16.1817-19-21-9 C21.18-C20.20-C18.22-C16.10 | -177.48 | Rigid |
| 24 | C21.10-C20.22-C19.21-C17.1918-20-21-9 C21.19-C20.21-C19.22-C17.10 | 177.517 | Rigid |
| 25 | O22.11-C21.10-C20.22-C18.2019-21-9-10 O22.20-C21.22-C20.10-C18.11 | -19.503 | Flexible |
| 26 | O22.11-C21.10-C20.22-C19.2120-21-9-10 O22.21-C21.22-C20.10-C19.11 | 161.76 | Flexible |
| 27 | O1.12-C2.1-C3.2-C5.32-1-0-11 O1.3-C2.2-C3.1-C5.12 | 179.911 | Rigid |
| 28 | O1.12-C2.1-C3.2-N6.43-1-0-11 O1.4-C2.2-C3.1-N6.12 | -2.556 | Rigid |
| 29 | O1.12-C2.1-N4.13-C7.54-12-0-11 O1.5-C2.13-N4.1-C7.12 | -179.791 | Rigid |
| 30 | N4.13-C2.1-C3.2-C5.32-1-0-12 N4.3-C2.2-C3.1-C5.13 | 1.298 | Rigid Ring |
| 31 | N4.13-C2.1-C3.2-N6.43-1-0-12 N4.4-C2.2-C3.1-N6.13 | 178.831 | Rigid Ring |
| 32 | N8.14-C12.9-C10.7-C13.1514-6-8-13 N8.15-C12.7-C10.9-C13.14 | 172.879 | Rigid |
| 33 | C13.15-N14.16-C15.17-C16.1817-16-15-14 C13.18-N14.17-C15.16-C16.15 | 128.302 | Flexible |
| 34 | C13.15-N14.16-C15.17-C17.1918-16-15-14 C13.19-N14.17-C15.16-C17.15 | -53.82 | Flexible |
| 35 | N14.16-C15.17-C16.18-C18.2019-17-16-15 N14.20-C15.18-C16.17-C18.16 | 177.593 | Rigid |
| 36 | N14.16-C15.17-C17.19-C19.2120-18-16-15 N14.21-C15.19-C17.17-C19.16 | -177.514 | Rigid |
| 37 | C15.17-C16.18-C18.20-C20.2221-19-17-16 C15.22-C16.20-C18.18-C20.17 | -0.48 | Rigid Ring |
| 38 | C15.17-C17.19-C19.21-C20.2221-20-18-16 C15.22-C17.21-C19.19-C20.17 | 0.401 | Rigid Ring |
| 39 | C16.18-C15.17-C17.19-C19.2120-18-16-17 C16.21-C15.19-C17.17-C19.18 | 0.38 | Rigid Ring |
| 40 | C16.18-C18.20-C20.22-C19.2120-21-19-17 C16.21-C18.22-C20.20-C19.18 | 1.261 | Rigid Ring |
| 41 | C17.19-C15.17-C16.18-C18.2019-17-16-18 C17.20-C15.18-C16.17-C18.19 | -0.345 | Rigid Ring |
| 42 | C17.19-C19.21-C20.22-C18.2019-21-20-18 C17.20-C19.22-C20.21-C18.19 | -1.228 | Rigid Ring |
| 43 | C18.20-C20.22-C21.10-O23.2322-9-21-19 C18.23-C20.10-C21.22-O23.20 | 159.997 | Flexible |
| 44 | C19.21-C20.22-C21.10-O23.2322-9-21-20 C19.23-C20.10-C21.22-O23.21 | -18.74 | Flexible |
Dihedrals Histogram