(2s,4s)-4-hydroxy-2-(1-methylethyl)-4-[(4r,13s)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-n-(2-methylpropyl)butanamide (3OX) Summary
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- (2s,4s)-4-hydroxy-2-(1-methylethyl)-4-[(4r,13s)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-n-(2-methylpropyl)butanamide (3OX) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | N1.1-C2.2-C3.3-C4.43-2-1-0 N1.4-C2.3-C3.2-C4.1 | 64.302 | Flexible |
| 2 | N1.1-C2.2-C3.3-O8.87-2-1-0 N1.8-C2.3-C3.2-O8.1 | -57.632 | Flexible |
| 3 | N1.1-C2.2-C7.7-O13.1312-6-1-0 N1.13-C2.7-C7.2-O13.1 | -53.44 | Flexible Ring |
| 4 | N1.1-C25.25-C19.19-C20.2019-18-24-0 N1.20-C25.19-C19.25-C20.1 | -129.806 | Flexible Ring |
| 5 | N1.1-C25.25-C19.19-C24.2423-18-24-0 N1.24-C25.19-C19.25-C24.1 | 54.938 | Flexible Ring |
| 6 | C2.2-N1.1-C25.25-C19.1918-24-0-1 C2.19-N1.25-C25.1-C19.2 | -172.953 | Rigid Ring |
| 7 | C2.2-N1.1-C25.25-O32.3231-24-0-1 C2.32-N1.25-C25.1-O32.2 | 2.932 | Rigid |
| 8 | C2.2-C3.3-C4.4-C5.54-3-2-1 C2.5-C3.4-C4.3-C5.2 | 154.93 | Flexible |
| 9 | C2.2-C7.7-O13.13-C43.4342-12-6-1 C2.43-C7.13-O13.7-C43.2 | 166.155 | Rigid Ring |
| 10 | C3.3-C2.2-C7.7-O13.1312-6-1-2 C3.13-C2.7-C7.2-O13.3 | -178.643 | Flexible |
| 11 | C3.3-C4.4-C5.5-C6.65-4-3-2 C3.6-C4.5-C5.4-C6.3 | -81.84 | Flexible |
| 12 | C3.3-C4.4-C5.5-C9.98-4-3-2 C3.9-C4.5-C5.4-C9.3 | 156.122 | Flexible |
| 13 | C4.4-C3.3-C2.2-C7.76-1-2-3 C4.7-C3.2-C2.3-C7.4 | -175.279 | Flexible |
| 14 | C4.4-C5.5-C6.6-O12.1211-5-4-3 C4.12-C5.6-C6.5-O12.4 | -58.419 | Flexible |
| 15 | C4.4-C5.5-C6.6-N18.1817-5-4-3 C4.18-C5.6-C6.5-N18.4 | 121.157 | Flexible |
| 16 | C4.4-C5.5-C9.9-C10.109-8-4-3 C4.10-C5.9-C9.5-C10.4 | -64.487 | Flexible |
| 17 | C4.4-C5.5-C9.9-C11.1110-8-4-3 C4.11-C5.9-C9.5-C11.4 | 171.386 | Flexible |
| 18 | C5.5-C4.4-C3.3-O8.87-2-3-4 C5.8-C4.3-C3.4-O8.5 | -81.932 | Flexible |
| 19 | C5.5-C6.6-N18.18-C14.1413-17-5-4 C5.14-C6.18-N18.6-C14.5 | -179.586 | Rigid |
| 20 | C6.6-C5.5-C9.9-C10.109-8-4-5 C6.10-C5.9-C9.5-C10.6 | 177.334 | Flexible |
| 21 | C6.6-C5.5-C9.9-C11.1110-8-4-5 C6.11-C5.9-C9.5-C11.6 | 53.208 | Flexible |
| 22 | C6.6-N18.18-C14.14-C15.1514-13-17-5 C6.15-N18.14-C14.18-C15.6 | -111.418 | Flexible |
| 23 | C7.7-C2.2-C3.3-O8.87-2-1-6 C7.8-C2.3-C3.2-O8.7 | 62.788 | Flexible |
| 24 | C7.7-O13.13-C43.43-C38.3837-42-12-6 C7.38-O13.43-C43.13-C38.7 | -169.425 | Flexible Ring |
| 25 | C9.9-C5.5-C6.6-O12.1211-5-4-8 C9.12-C5.6-C6.5-O12.9 | 62.878 | Flexible |
| 26 | C9.9-C5.5-C6.6-N18.1817-5-4-8 C9.18-C5.6-C6.5-N18.9 | -117.546 | Flexible |
| 27 | O12.12-C6.6-N18.18-C14.1413-17-5-11 O12.14-C6.18-N18.6-C14.12 | -0.025 | Rigid |
| 28 | O13.13-C43.43-C38.38-C39.3938-37-42-12 O13.39-C43.38-C38.43-C39.13 | -102.724 | Flexible Ring |
| 29 | O13.13-C43.43-C38.38-C42.4241-37-42-12 O13.42-C43.38-C38.43-C42.13 | 74.729 | Flexible Ring |
| 30 | C16.16-C15.15-C14.14-N18.1817-13-14-15 C16.18-C15.14-C14.15-N18.16 | -179.294 | Flexible |
| 31 | C17.17-C15.15-C14.14-N18.1817-13-14-16 C17.18-C15.14-C14.15-N18.17 | -56.584 | Flexible |
| 32 | C19.19-C20.20-C21.21-C22.2221-20-19-18 C19.22-C20.21-C21.20-C22.19 | 0.853 | Rigid Ring |
| 33 | C19.19-C20.20-C21.21-N27.2726-20-19-18 C19.27-C20.21-C21.20-N27.19 | -176.398 | Rigid |
| 34 | C19.19-C24.24-C23.23-C22.2221-22-23-18 C19.22-C24.23-C23.24-C22.19 | -0.694 | Rigid Ring |
| 35 | C19.19-C24.24-C23.23-C26.2625-22-23-18 C19.26-C24.23-C23.24-C26.19 | 176.295 | Rigid Ring |
| 36 | C20.20-C19.19-C24.24-C23.2322-23-18-19 C20.23-C19.24-C24.19-C23.20 | 3.684 | Rigid Ring |
| 37 | C20.20-C19.19-C25.25-O32.3231-24-18-19 C20.32-C19.25-C25.19-O32.20 | 54.156 | Flexible |
| 38 | C20.20-C21.21-C22.22-C23.2322-21-20-19 C20.23-C21.22-C22.21-C23.20 | 2.141 | Rigid Ring |
| 39 | C20.20-C21.21-N27.27-C28.2827-26-20-19 C20.28-C21.27-N27.21-C28.20 | -64.032 | Flexible |
| 40 | C20.20-C21.21-N27.27-S29.2928-26-20-19 C20.29-C21.27-N27.21-S29.20 | 107.823 | Flexible |
| 41 | C21.21-C20.20-C19.19-C24.2423-18-19-20 C21.24-C20.19-C19.20-C24.21 | -3.676 | Rigid Ring |
| 42 | C21.21-C20.20-C19.19-C25.2524-18-19-20 C21.25-C20.19-C19.20-C25.21 | -178.724 | Rigid Ring |
| 43 | C21.21-C22.22-C23.23-C24.2423-22-21-20 C21.24-C22.23-C23.22-C24.21 | -2.201 | Rigid Ring |
| 44 | C21.21-C22.22-C23.23-C26.2625-22-21-20 C21.26-C22.23-C23.22-C26.21 | -179.045 | Rigid Ring |
| 45 | C21.21-N27.27-S29.29-C30.3029-28-26-20 C21.30-N27.29-S29.27-C30.21 | 33.429 | Flexible |
| 46 | C21.21-N27.27-S29.29-O33.3332-28-26-20 C21.33-N27.29-S29.27-O33.21 | -83.477 | Flexible |
| 47 | C21.21-N27.27-S29.29-O34.3433-28-26-20 C21.34-N27.29-S29.27-O34.21 | 157.44 | Flexible |
| 48 | C22.22-C21.21-N27.27-C28.2827-26-20-21 C22.28-C21.27-N27.21-C28.22 | 118.696 | Flexible |
| 49 | C22.22-C21.21-N27.27-S29.2928-26-20-21 C22.29-C21.27-N27.21-S29.22 | -69.449 | Flexible |
| 50 | C22.22-C23.23-C26.26-O31.3130-25-22-21 C22.31-C23.26-C26.23-O31.22 | 41.045 | Flexible |
| 51 | C22.22-C23.23-C26.26-N35.3534-25-22-21 C22.35-C23.26-C26.23-N35.22 | -139.195 | Flexible Ring |
| 52 | C23.23-C22.22-C21.21-N27.2726-20-21-22 C23.27-C22.21-C21.22-N27.23 | 179.33 | Rigid |
| 53 | C23.23-C24.24-C19.19-C25.2524-18-23-22 C23.25-C24.19-C19.24-C25.23 | 179.31 | Rigid Ring |
| 54 | C23.23-C26.26-N35.35-C36.3635-34-25-22 C23.36-C26.35-N35.26-C36.23 | -170.203 | Rigid Ring |
| 55 | C24.24-C19.19-C25.25-O32.3231-24-18-23 C24.32-C19.25-C25.19-O32.24 | -121.1 | Flexible |
| 56 | C24.24-C23.23-C26.26-O31.3130-25-22-23 C24.31-C23.26-C26.23-O31.24 | -135.807 | Flexible |
| 57 | C24.24-C23.23-C26.26-N35.3534-25-22-23 C24.35-C23.26-C26.23-N35.24 | 43.954 | Flexible Ring |
| 58 | C25.25-N1.1-C2.2-C3.32-1-0-24 C25.3-N1.2-C2.1-C3.25 | -101.744 | Flexible |
| 59 | C25.25-N1.1-C2.2-C7.76-1-0-24 C25.7-N1.2-C2.1-C7.25 | 133.902 | Flexible Ring |
| 60 | C26.26-N35.35-C36.36-C37.3736-35-34-25 C26.37-N35.36-C36.35-C37.26 | 135.8 | Flexible Ring |
| 61 | C26.26-N35.35-C36.36-C44.4443-35-34-25 C26.44-N35.36-C36.35-C44.26 | -98.261 | Flexible |
| 62 | C28.28-N27.27-S29.29-C30.3029-28-26-27 C28.30-N27.29-S29.27-C30.28 | -155.27 | Flexible |
| 63 | C28.28-N27.27-S29.29-O33.3332-28-26-27 C28.33-N27.29-S29.27-O33.28 | 87.824 | Flexible |
| 64 | C28.28-N27.27-S29.29-O34.3433-28-26-27 C28.34-N27.29-S29.27-O34.28 | -31.259 | Flexible |
| 65 | O31.31-C26.26-N35.35-C36.3635-34-25-30 O31.36-C26.35-N35.26-C36.31 | 9.554 | Rigid |
| 66 | N35.35-C36.36-C37.37-C41.4140-36-35-34 N35.41-C36.37-C37.36-C41.35 | 126.575 | Flexible Ring |
| 67 | N35.35-C36.36-C37.37-C42.4241-36-35-34 N35.42-C36.37-C37.36-C42.35 | -45.344 | Flexible Ring |
| 68 | N35.35-C36.36-C44.44-C45.4544-43-35-34 N35.45-C36.44-C44.36-C45.35 | -33.331 | Flexible |
| 69 | N35.35-C36.36-C44.44-C49.4948-43-35-34 N35.49-C36.44-C44.36-C49.35 | 144.532 | Flexible |
| 70 | C36.36-C37.37-C41.41-C40.4039-40-36-35 C36.40-C37.41-C41.37-C40.36 | -176.387 | Rigid Ring |
| 71 | C36.36-C37.37-C42.42-C38.3837-41-36-35 C36.38-C37.42-C42.37-C38.36 | 177.274 | Rigid Ring |
| 72 | C36.36-C44.44-C45.45-C46.4645-44-43-35 C36.46-C44.45-C45.44-C46.36 | 178.761 | Rigid |
| 73 | C36.36-C44.44-C49.49-C48.4847-48-43-35 C36.48-C44.49-C49.44-C48.36 | -178.657 | Rigid |
| 74 | C37.37-C36.36-C44.44-C45.4544-43-35-36 C37.45-C36.44-C44.36-C45.37 | 88.532 | Flexible |
| 75 | C37.37-C36.36-C44.44-C49.4948-43-35-36 C37.49-C36.44-C44.36-C49.37 | -93.606 | Flexible |
| 76 | C37.37-C41.41-C40.40-C39.3938-39-40-36 C37.39-C41.40-C40.41-C39.37 | 2.091 | Rigid Ring |
| 77 | C37.37-C42.42-C38.38-C39.3938-37-41-36 C37.39-C42.38-C38.42-C39.37 | -2.5 | Rigid Ring |
| 78 | C37.37-C42.42-C38.38-C43.4342-37-41-36 C37.43-C42.38-C38.42-C43.37 | -179.974 | Rigid Ring |
| 79 | C38.38-C39.39-C40.40-C41.4140-39-38-37 C38.41-C39.40-C40.39-C41.38 | 0.496 | Rigid Ring |
| 80 | C38.38-C42.42-C37.37-C41.4140-36-41-37 C38.41-C42.37-C37.42-C41.38 | 5.212 | Rigid Ring |
| 81 | C40.40-C39.39-C38.38-C42.4241-37-38-39 C40.42-C39.38-C38.39-C42.40 | -0.287 | Rigid Ring |
| 82 | C40.40-C39.39-C38.38-C43.4342-37-38-39 C40.43-C39.38-C38.39-C43.40 | 177.259 | Rigid Ring |
| 83 | C40.40-C41.41-C37.37-C42.4241-36-40-39 C40.42-C41.37-C37.41-C42.40 | -4.961 | Rigid Ring |
| 84 | C41.41-C37.37-C36.36-C44.4443-35-36-40 C41.44-C37.36-C36.37-C44.41 | 0.673 | Flexible |
| 85 | C42.42-C37.37-C36.36-C44.4443-35-36-41 C42.44-C37.36-C36.37-C44.42 | -171.246 | Flexible |
| 86 | C44.44-C45.45-C46.46-C47.4746-45-44-43 C44.47-C45.46-C46.45-C47.44 | -0.321 | Rigid Ring |
| 87 | C44.44-C49.49-C48.48-C47.4746-47-48-43 C44.47-C49.48-C48.49-C47.44 | -0.015 | Rigid Ring |
| 88 | C45.45-C44.44-C49.49-C48.4847-48-43-44 C45.48-C44.49-C49.44-C48.45 | -0.724 | Rigid Ring |
| 89 | C45.45-C46.46-C47.47-C48.4847-46-45-44 C45.48-C46.47-C47.46-C48.45 | -0.433 | Rigid Ring |
| 90 | C46.46-C45.45-C44.44-C49.4948-43-44-45 C46.49-C45.44-C44.45-C49.46 | 0.896 | Rigid Ring |
| 91 | C46.46-C47.47-C48.48-C49.4948-47-46-45 C46.49-C47.48-C48.47-C49.46 | 0.603 | Rigid Ring |
Dihedrals Histogram