[4-(4-acetylamino-phenyl)-3,5-dioxo-4-aza-tricyclo[5.2.2.0 2,6]undec-1-ylcarbamoyloxy]-acetic acid (FRA) Summary
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- [4-(4-acetylamino-phenyl)-3,5-dioxo-4-aza-tricyclo[5.2.2.0 2,6]undec-1-ylcarbamoyloxy]-acetic acid (FRA) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | C22.1-C1.2-N1.4-C2.54-3-1-0 C22.5-C1.4-N1.2-C2.1 | -11.293 | Rigid |
| 2 | C1.2-N1.4-C2.5-C7.65-4-3-1 C1.6-N1.5-C2.4-C7.2 | 54.417 | Flexible |
| 3 | C1.2-N1.4-C2.5-C3.109-4-3-1 C1.10-N1.5-C2.4-C3.2 | -125.547 | Flexible |
| 4 | O3.3-C1.2-N1.4-C2.54-3-1-2 O3.5-C1.4-N1.2-C2.3 | 168.436 | Rigid |
| 5 | N1.4-C2.5-C7.6-C6.76-5-4-3 N1.7-C2.6-C7.5-C6.4 | -179.983 | Rigid |
| 6 | N1.4-C2.5-C3.10-C4.98-9-4-3 N1.9-C2.10-C3.5-C4.4 | -179.981 | Rigid |
| 7 | C2.5-C7.6-C6.7-C5.87-6-5-4 C2.8-C7.7-C6.6-C5.5 | -0.104 | Rigid Ring |
| 8 | C2.5-C3.10-C4.9-C5.87-8-9-4 C2.8-C3.9-C4.10-C5.5 | 0.027 | Rigid Ring |
| 9 | C7.6-C2.5-C3.10-C4.98-9-4-5 C7.9-C2.10-C3.5-C4.6 | 0.055 | Rigid Ring |
| 10 | C7.6-C6.7-C5.8-C4.98-7-6-5 C7.9-C6.8-C5.7-C4.6 | 0.181 | Rigid Ring |
| 11 | C7.6-C6.7-C5.8-N5.1110-7-6-5 C7.11-C6.8-C5.7-N5.6 | 179.902 | Rigid |
| 12 | C6.7-C7.6-C2.5-C3.109-4-5-6 C6.10-C7.5-C2.6-C3.7 | -0.018 | Rigid Ring |
| 13 | C6.7-C5.8-C4.9-C3.109-8-7-6 C6.10-C5.9-C4.8-C3.7 | -0.141 | Rigid Ring |
| 14 | C6.7-C5.8-N5.11-C11.1211-10-7-6 C6.12-C5.11-N5.8-C11.7 | 38.779 | Flexible |
| 15 | C6.7-C5.8-N5.11-C8.1514-10-7-6 C6.15-C5.11-N5.8-C8.7 | -140.61 | Flexible |
| 16 | C5.8-N5.11-C11.12-C10.1312-11-10-7 C5.13-N5.12-C11.11-C10.8 | -178.693 | Rigid |
| 17 | C5.8-N5.11-C11.12-O11.1615-11-10-7 C5.16-N5.12-C11.11-O11.8 | 0.605 | Rigid |
| 18 | C5.8-N5.11-C8.15-C9.1413-14-10-7 C5.14-N5.15-C8.11-C9.8 | 179.456 | Rigid |
| 19 | C5.8-N5.11-C8.15-O8.1716-14-10-7 C5.17-N5.15-C8.11-O8.8 | -0.264 | Rigid |
| 20 | C4.9-C5.8-N5.11-C11.1211-10-7-8 C4.12-C5.11-N5.8-C11.9 | -141.517 | Flexible |
| 21 | C4.9-C5.8-N5.11-C8.1514-10-7-8 C4.15-C5.11-N5.8-C8.9 | 39.094 | Flexible |
| 22 | C3.10-C4.9-C5.8-N5.1110-7-8-9 C3.11-C4.8-C5.9-N5.10 | -179.851 | Rigid |
| 23 | N5.11-C11.12-C10.13-C9.1413-12-11-10 N5.14-C11.13-C10.12-C9.11 | -1.175 | Rigid Ring |
| 24 | N5.11-C11.12-C10.13-C12.1817-12-11-10 N5.18-C11.13-C10.12-C12.11 | 118.969 | Rigid Ring |
| 25 | N5.11-C8.15-C9.14-C10.1312-13-14-10 N5.13-C8.14-C9.15-C10.11 | -0.675 | Rigid Ring |
| 26 | N5.11-C8.15-C9.14-C15.2322-13-14-10 N5.23-C8.14-C9.15-C15.11 | -124.034 | Rigid Ring |
| 27 | C11.12-N5.11-C8.15-C9.1413-14-10-11 C11.14-N5.15-C8.11-C9.12 | -0.022 | Rigid Ring |
| 28 | C11.12-N5.11-C8.15-O8.1716-14-10-11 C11.17-N5.15-C8.11-O8.12 | -179.743 | Rigid |
| 29 | C11.12-C10.13-C9.14-C8.1514-13-12-11 C11.15-C10.14-C9.13-C8.12 | 1.016 | Rigid Ring |
| 30 | C11.12-C10.13-C9.14-C15.2322-13-12-11 C11.23-C10.14-C9.13-C15.12 | 128.366 | Rigid Ring |
| 31 | C11.12-C10.13-C12.18-C17.1918-17-12-11 C11.19-C10.18-C12.13-C17.12 | -60.337 | Rigid Ring |
| 32 | C11.12-C10.13-C12.18-C13.2221-17-12-11 C11.22-C10.18-C12.13-C13.12 | -176.593 | Rigid Ring |
| 33 | C10.13-C11.12-N5.11-C8.1514-10-11-12 C10.15-C11.11-N5.12-C8.13 | 0.786 | Rigid Ring |
| 34 | C10.13-C9.14-C8.15-O8.1716-14-13-12 C10.17-C9.15-C8.14-O8.13 | 179.064 | Rigid |
| 35 | C10.13-C9.14-C15.23-C16.2019-22-13-12 C10.20-C9.23-C15.14-C16.13 | -60.624 | Rigid Ring |
| 36 | C10.13-C9.14-C15.23-C14.2120-22-13-12 C10.21-C9.23-C15.14-C14.13 | 51.438 | Rigid Ring |
| 37 | C10.13-C9.14-C15.23-N15.2423-22-13-12 C10.24-C9.23-C15.14-N15.13 | 178.46 | Rigid |
| 38 | C10.13-C12.18-C17.19-C16.2019-18-17-12 C10.20-C12.19-C17.18-C16.13 | -56.904 | Rigid Ring |
| 39 | C10.13-C12.18-C13.22-C14.2120-21-17-12 C10.21-C12.22-C13.18-C14.13 | 57.805 | Rigid Ring |
| 40 | C9.14-C10.13-C11.12-O11.1615-11-12-13 C9.16-C10.12-C11.13-O11.14 | 179.474 | Rigid |
| 41 | C9.14-C10.13-C12.18-C17.1918-17-12-13 C9.19-C10.18-C12.13-C17.14 | 56.68 | Rigid Ring |
| 42 | C9.14-C10.13-C12.18-C13.2221-17-12-13 C9.22-C10.18-C12.13-C13.14 | -59.576 | Rigid Ring |
| 43 | C9.14-C15.23-C16.20-C17.1918-19-22-13 C9.19-C15.20-C16.23-C17.14 | 59.339 | Rigid Ring |
| 44 | C9.14-C15.23-C14.21-C13.2221-20-22-13 C9.22-C15.21-C14.23-C13.14 | -57.668 | Rigid Ring |
| 45 | C9.14-C15.23-N15.24-C18.2524-23-22-13 C9.25-C15.24-N15.23-C18.14 | -93.835 | Flexible |
| 46 | C8.15-N5.11-C11.12-O11.1615-11-10-14 C8.16-N5.12-C11.11-O11.15 | -179.916 | Rigid |
| 47 | C8.15-C9.14-C10.13-C12.1817-12-13-14 C8.18-C9.13-C10.14-C12.15 | -124.565 | Rigid Ring |
| 48 | C8.15-C9.14-C15.23-C16.2019-22-13-14 C8.20-C9.23-C15.14-C16.15 | 57.033 | Rigid Ring |
| 49 | C8.15-C9.14-C15.23-C14.2120-22-13-14 C8.21-C9.23-C15.14-C14.15 | 169.095 | Rigid Ring |
| 50 | C8.15-C9.14-C15.23-N15.2423-22-13-14 C8.24-C9.23-C15.14-N15.15 | -63.883 | Rigid |
| 51 | O11.16-C11.12-C10.13-C12.1817-12-11-15 O11.18-C11.13-C10.12-C12.16 | -60.382 | Rigid |
| 52 | O8.17-C8.15-C9.14-C15.2322-13-14-16 O8.23-C8.14-C9.15-C15.17 | 55.705 | Rigid |
| 53 | C12.18-C10.13-C9.14-C15.2322-13-12-17 C12.23-C10.14-C9.13-C15.18 | 2.785 | Rigid Ring |
| 54 | C12.18-C17.19-C16.20-C15.2322-19-18-17 C12.23-C17.20-C16.19-C15.18 | -0.931 | Rigid Ring |
| 55 | C12.18-C13.22-C14.21-C15.2322-20-21-17 C12.23-C13.21-C14.22-C15.18 | 1.068 | Rigid Ring |
| 56 | C17.19-C12.18-C13.22-C14.2120-21-17-18 C17.21-C12.22-C13.18-C14.19 | -60.384 | Rigid Ring |
| 57 | C17.19-C16.20-C15.23-C14.2120-22-19-18 C17.21-C16.23-C15.20-C14.19 | -52.695 | Rigid Ring |
| 58 | C17.19-C16.20-C15.23-N15.2423-22-19-18 C17.24-C16.23-C15.20-N15.19 | 177.1 | Rigid |
| 59 | C16.20-C17.19-C12.18-C13.2221-17-18-19 C16.22-C17.18-C12.19-C13.20 | 58.975 | Rigid Ring |
| 60 | C16.20-C15.23-C14.21-C13.2221-20-22-19 C16.22-C15.21-C14.23-C13.20 | 56.663 | Rigid Ring |
| 61 | C16.20-C15.23-N15.24-C18.2524-23-22-19 C16.25-C15.24-N15.23-C18.20 | 147.553 | Flexible |
| 62 | C14.21-C15.23-N15.24-C18.2524-23-22-20 C14.25-C15.24-N15.23-C18.21 | 24.708 | Flexible |
| 63 | C13.22-C14.21-C15.23-N15.2423-22-20-21 C13.24-C14.23-C15.21-N15.22 | -177.162 | Rigid |
| 64 | C15.23-N15.24-C18.25-O18.2625-24-23-22 C15.26-N15.25-C18.24-O18.23 | -0.592 | Rigid |
| 65 | C15.23-N15.24-C18.25-O19.2726-24-23-22 C15.27-N15.25-C18.24-O19.23 | 178.82 | Rigid |
| 66 | N15.24-C18.25-O19.27-C19.2827-26-24-23 N15.28-C18.27-O19.25-C19.24 | -179.498 | Rigid |
| 67 | C18.25-O19.27-C19.28-C20.2928-27-26-24 C18.29-O19.28-C19.27-C20.25 | 168.908 | Flexible |
| 68 | O18.26-C18.25-O19.27-C19.2827-26-24-25 O18.28-C18.27-O19.25-C19.26 | -0.1 | Rigid |
| 69 | O19.27-C19.28-C20.29-O20.3029-28-27-26 O19.30-C19.29-C20.28-O20.27 | -147.126 | Flexible |
| 70 | O19.27-C19.28-C20.29-O21.3130-28-27-26 O19.31-C19.29-C20.28-O21.27 | 32.602 | Flexible |
Dihedrals Histogram