N-[(4s,8e,11s)-4-[(1r)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-2,13-dioxo-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraen-16-yl]-n-methylmethanesulfonamide (0LG) Summary
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- N-[(4s,8e,11s)-4-[(1r)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-2,13-dioxo-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraen-16-yl]-n-methylmethanesulfonamide (0LG) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | O14.1-S11.2-N7.5-C10.65-4-1-0 O14.6-S11.5-N7.2-C10.1 | 56.397 | Flexible |
| 2 | O14.1-S11.2-N7.5-C6.76-4-1-0 O14.7-S11.5-N7.2-C6.1 | -162.383 | Flexible |
| 3 | S11.2-N7.5-C6.7-C1.87-6-4-1 S11.8-N7.7-C6.5-C1.2 | -12.511 | Flexible |
| 4 | S11.2-N7.5-C6.7-C5.109-6-4-1 S11.10-N7.7-C6.5-C5.2 | 166.398 | Flexible |
| 5 | O13.3-S11.2-N7.5-C10.65-4-1-2 O13.6-S11.5-N7.2-C10.3 | 176.736 | Flexible |
| 6 | O13.3-S11.2-N7.5-C6.76-4-1-2 O13.7-S11.5-N7.2-C6.3 | -42.044 | Flexible |
| 7 | C12.4-S11.2-N7.5-C10.65-4-1-3 C12.6-S11.5-N7.2-C10.4 | -57.459 | Flexible |
| 8 | C12.4-S11.2-N7.5-C6.76-4-1-3 C12.7-S11.5-N7.2-C6.4 | 83.762 | Flexible |
| 9 | N7.5-C6.7-C1.8-C2.98-7-6-4 N7.9-C6.8-C1.7-C2.5 | 178.493 | Rigid |
| 10 | N7.5-C6.7-C5.10-C4.1110-9-6-4 N7.11-C6.10-C5.7-C4.5 | -177.885 | Rigid |
| 11 | C10.6-N7.5-C6.7-C1.87-6-4-5 C10.8-N7.7-C6.5-C1.6 | 129.644 | Flexible |
| 12 | C10.6-N7.5-C6.7-C5.109-6-4-5 C10.10-N7.7-C6.5-C5.6 | -51.447 | Flexible |
| 13 | C6.7-C1.8-C2.9-C3.1211-8-7-6 C6.12-C1.9-C2.8-C3.7 | -0.002 | Rigid Ring |
| 14 | C6.7-C1.8-C2.9-C9.3938-8-7-6 C6.39-C1.9-C2.8-C9.7 | -175.916 | Rigid Ring |
| 15 | C6.7-C5.10-C4.11-C3.1211-10-9-6 C6.12-C5.11-C4.10-C3.7 | -1.402 | Rigid Ring |
| 16 | C6.7-C5.10-C4.11-C8.1312-10-9-6 C6.13-C5.11-C4.10-C8.7 | 178.89 | Rigid Ring |
| 17 | C1.8-C6.7-C5.10-C4.1110-9-6-7 C1.11-C6.10-C5.7-C4.8 | 1.061 | Rigid Ring |
| 18 | C1.8-C2.9-C3.12-C4.1110-11-8-7 C1.11-C2.12-C3.9-C4.8 | -0.346 | Rigid Ring |
| 19 | C1.8-C2.9-C9.39-N23.3837-38-8-7 C1.38-C2.39-C9.9-N23.8 | -141.46 | Flexible Ring |
| 20 | C1.8-C2.9-C9.39-O24.4039-38-8-7 C1.40-C2.39-C9.9-O24.8 | 45.119 | Flexible |
| 21 | C2.9-C1.8-C6.7-C5.109-6-7-8 C2.10-C1.7-C6.8-C5.9 | -0.365 | Rigid Ring |
| 22 | C2.9-C3.12-C4.11-C5.109-10-11-8 C2.10-C3.11-C4.12-C5.9 | 1.065 | Rigid Ring |
| 23 | C2.9-C3.12-C4.11-C8.1312-10-11-8 C2.13-C3.11-C4.12-C8.9 | -179.223 | Rigid Ring |
| 24 | C2.9-C9.39-N23.38-C25.3736-37-38-8 C2.37-C9.38-N23.39-C25.9 | -174.144 | Rigid Ring |
| 25 | C5.10-C4.11-C8.13-O15.1413-12-10-9 C5.14-C4.13-C8.11-O15.10 | 37.917 | Flexible |
| 26 | C5.10-C4.11-C8.13-N16.1514-12-10-9 C5.15-C4.13-C8.11-N16.10 | -141.047 | Flexible Ring |
| 27 | C4.11-C3.12-C2.9-C9.3938-8-11-10 C4.39-C3.9-C2.12-C9.11 | 175.717 | Rigid Ring |
| 28 | C4.11-C8.13-N16.15-C17.1615-14-12-10 C4.16-C8.15-N16.13-C17.11 | -175.151 | Rigid Ring |
| 29 | C3.12-C2.9-C9.39-N23.3837-38-8-11 C3.38-C2.39-C9.9-N23.12 | 42.514 | Flexible Ring |
| 30 | C3.12-C2.9-C9.39-O24.4039-38-8-11 C3.40-C2.39-C9.9-O24.12 | -130.907 | Flexible |
| 31 | C3.12-C4.11-C8.13-O15.1413-12-10-11 C3.14-C4.13-C8.11-O15.12 | -141.794 | Flexible |
| 32 | C3.12-C4.11-C8.13-N16.1514-12-10-11 C3.15-C4.13-C8.11-N16.12 | 39.242 | Flexible Ring |
| 33 | C8.13-N16.15-C17.16-C18.1716-15-14-12 C8.17-N16.16-C17.15-C18.13 | -100.701 | Flexible |
| 34 | C8.13-N16.15-C17.16-C22.3130-15-14-12 C8.31-N16.16-C17.15-C22.13 | 138.81 | Flexible Ring |
| 35 | O15.14-C8.13-N16.15-C17.1615-14-12-13 O15.16-C8.15-N16.13-C17.14 | 5.927 | Rigid |
| 36 | N16.15-C17.16-C18.17-C19.1817-16-15-14 N16.18-C17.17-C18.16-C19.15 | 63.761 | Flexible |
| 37 | N16.15-C17.16-C18.17-O21.3029-16-15-14 N16.30-C17.17-C18.16-O21.15 | -177.172 | Flexible |
| 38 | N16.15-C17.16-C22.31-O34.3231-30-15-14 N16.32-C17.31-C22.16-O34.15 | -41.309 | Flexible Ring |
| 39 | C17.16-C18.17-C19.18-N20.1918-17-16-15 C17.19-C18.18-C19.17-N20.16 | 171.198 | Flexible |
| 40 | C17.16-C22.31-O34.32-C35.3332-31-30-15 C17.33-C22.32-O34.31-C35.16 | 149.986 | Flexible Ring |
| 41 | C18.17-C17.16-C22.31-O34.3231-30-15-16 C18.32-C17.31-C22.16-O34.17 | -161.112 | Flexible |
| 42 | C18.17-C19.18-N20.19-C37.2019-18-17-16 C18.20-C19.19-N20.18-C37.17 | -161.274 | Flexible |
| 43 | C19.18-C18.17-C17.16-C22.3130-15-16-17 C19.31-C18.16-C17.17-C22.18 | -178.175 | Flexible |
| 44 | C19.18-N20.19-C37.20-C38.2120-19-18-17 C19.21-N20.20-C37.19-C38.18 | 62.749 | Flexible |
| 45 | N20.19-C19.18-C18.17-O21.3029-16-17-18 N20.30-C19.17-C18.18-O21.19 | 51.327 | Flexible |
| 46 | N20.19-C37.20-C38.21-C39.2221-20-19-18 N20.22-C37.21-C38.20-C39.19 | 60.368 | Flexible |
| 47 | N20.19-C37.20-C38.21-C43.2928-20-19-18 N20.29-C37.21-C38.20-C43.19 | -119.709 | Flexible |
| 48 | C37.20-C38.21-C39.22-C40.2322-21-20-19 C37.23-C38.22-C39.21-C40.20 | -179.708 | Rigid |
| 49 | C37.20-C38.21-C43.29-C42.2827-28-20-19 C37.28-C38.29-C43.21-C42.20 | 178.579 | Rigid |
| 50 | C38.21-C39.22-C40.23-C44.2423-22-21-20 C38.24-C39.23-C40.22-C44.21 | 177.862 | Rigid |
| 51 | C38.21-C39.22-C40.23-C41.2726-22-21-20 C38.27-C39.23-C40.22-C41.21 | 0.725 | Rigid Ring |
| 52 | C38.21-C43.29-C42.28-C41.2726-27-28-20 C38.27-C43.28-C42.29-C41.21 | 1.599 | Rigid Ring |
| 53 | C39.22-C38.21-C43.29-C42.2827-28-20-21 C39.28-C38.29-C43.21-C42.22 | -1.499 | Rigid Ring |
| 54 | C39.22-C40.23-C44.24-C45.2524-23-22-21 C39.25-C40.24-C44.23-C45.22 | 72.57 | Flexible |
| 55 | C39.22-C40.23-C44.24-C46.2625-23-22-21 C39.26-C40.24-C44.23-C46.22 | -162.251 | Flexible |
| 56 | C39.22-C40.23-C41.27-C42.2827-26-22-21 C39.28-C40.27-C41.23-C42.22 | -0.638 | Rigid Ring |
| 57 | C40.23-C39.22-C38.21-C43.2928-20-21-22 C40.29-C39.21-C38.22-C43.23 | 0.369 | Rigid Ring |
| 58 | C40.23-C41.27-C42.28-C43.2928-27-26-22 C40.29-C41.28-C42.27-C43.23 | -0.549 | Rigid Ring |
| 59 | C44.24-C40.23-C41.27-C42.2827-26-22-23 C44.28-C40.27-C41.23-C42.24 | -177.59 | Rigid |
| 60 | C45.25-C44.24-C40.23-C41.2726-22-23-24 C45.27-C44.23-C40.24-C41.25 | -110.425 | Flexible |
| 61 | C46.26-C44.24-C40.23-C41.2726-22-23-25 C46.27-C44.23-C40.24-C41.26 | 14.754 | Flexible |
| 62 | O21.30-C18.17-C17.16-C22.3130-15-16-29 O21.31-C18.16-C17.17-C22.30 | -59.108 | Flexible |
| 63 | C22.31-O34.32-C35.33-C36.3433-32-31-30 C22.34-O34.33-C35.32-C36.31 | -159.056 | Flexible Ring |
| 64 | O34.32-C35.33-C36.34-C33.3534-33-32-31 O34.35-C35.34-C36.33-C33.32 | 119.443 | Flexible Ring |
| 65 | C35.33-C36.34-C33.35-C26.3635-34-33-32 C35.36-C36.35-C33.34-C26.33 | -179.914 | Rigid Ring |
| 66 | C36.34-C33.35-C26.36-C25.3736-35-34-33 C36.37-C33.36-C26.35-C25.34 | 130.757 | Flexible Ring |
| 67 | C33.35-C26.36-C25.37-N23.3837-36-35-34 C33.38-C26.37-C25.36-N23.35 | -56.462 | Flexible Ring |
| 68 | C33.35-C26.36-C25.37-C27.4140-36-35-34 C33.41-C26.37-C25.36-C27.35 | 179.646 | Flexible |
| 69 | C26.36-C25.37-N23.38-C9.3938-37-36-35 C26.39-C25.38-N23.37-C9.36 | 148.214 | Flexible Ring |
| 70 | C26.36-C25.37-C27.41-C28.4241-40-36-35 C26.42-C25.41-C27.37-C28.36 | 68.026 | Flexible |
| 71 | C26.36-C25.37-C27.41-C32.4645-40-36-35 C26.46-C25.41-C27.37-C32.36 | -112.188 | Flexible |
| 72 | C25.37-N23.38-C9.39-O24.4039-38-37-36 C25.40-N23.39-C9.38-O24.37 | -1.174 | Rigid |
| 73 | C25.37-C27.41-C28.42-C29.4342-41-40-36 C25.43-C27.42-C28.41-C29.37 | 179.099 | Rigid |
| 74 | C25.37-C27.41-C32.46-C31.4544-45-40-36 C25.45-C27.46-C32.41-C31.37 | -179.464 | Rigid |
| 75 | N23.38-C25.37-C27.41-C28.4241-40-36-37 N23.42-C25.41-C27.37-C28.38 | -50.008 | Flexible |
| 76 | N23.38-C25.37-C27.41-C32.4645-40-36-37 N23.46-C25.41-C27.37-C32.38 | 129.779 | Flexible |
| 77 | C9.39-N23.38-C25.37-C27.4140-36-37-38 C9.41-N23.37-C25.38-C27.39 | -89.281 | Flexible |
| 78 | C27.41-C28.42-C29.43-C30.4443-42-41-40 C27.44-C28.43-C29.42-C30.41 | 0.113 | Rigid Ring |
| 79 | C27.41-C32.46-C31.45-C30.4443-44-45-40 C27.44-C32.45-C31.46-C30.41 | 0.59 | Rigid Ring |
| 80 | C28.42-C27.41-C32.46-C31.4544-45-40-41 C28.45-C27.46-C32.41-C31.42 | 0.329 | Rigid Ring |
| 81 | C28.42-C29.43-C30.44-C31.4544-43-42-41 C28.45-C29.44-C30.43-C31.42 | 0.831 | Rigid Ring |
| 82 | C29.43-C28.42-C27.41-C32.4645-40-41-42 C29.46-C28.41-C27.42-C32.43 | -0.678 | Rigid Ring |
| 83 | C29.43-C30.44-C31.45-C32.4645-44-43-42 C29.46-C30.45-C31.44-C32.43 | -1.16 | Rigid Ring |
Dihedrals Histogram