(5r,8s,11s)-5-methyl-8-(propan-2-yl)-11-[(1e)-4-sulfanylbut-1-en-1-yl]-3,17-dithia-7,10,14,19,20-pentaazatricyclo[14.2.1.1~2,5~]icosa-1(18),2(20),16(19)-triene-6,9,13-trione (L6G) Summary
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- (5r,8s,11s)-5-methyl-8-(propan-2-yl)-11-[(1e)-4-sulfanylbut-1-en-1-yl]-3,17-dithia-7,10,14,19,20-pentaazatricyclo[14.2.1.1~2,5~]icosa-1(18),2(20),16(19)-triene-6,9,13-trione (L6G) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | C.1-C.2-C.3-C.43-2-1-0 C.4-C.3-C.2-C.1 | -112.24 | Flexible |
| 2 | C.2-C.3-C.4-C.54-3-2-1 C.5-C.4-C.3-C.2 | 179.731 | Rigid |
| 3 | C.3-C.4-C.5-C.2120-4-3-2 C.21-C.5-C.4-C.3 | -115.976 | Flexible |
| 4 | C.3-C.4-C.5-N.2221-4-3-2 C.22-C.5-C.4-N.3 | 123.301 | Flexible |
| 5 | C.4-C.5-C.21-C.2019-20-4-3 C.20-C.21-C.5-C.4 | 166.046 | Flexible |
| 6 | C.4-C.5-N.22-C.65-21-4-3 C.6-C.22-N.5-C.4 | -95.55 | Flexible |
| 7 | C.5-C.21-C.20-N.2625-19-20-4 C.26-C.20-C.21-N.5 | 161.639 | Flexible Ring |
| 8 | C.5-C.21-C.20-O.2928-19-20-4 C.29-C.20-C.21-O.5 | -21.134 | Flexible |
| 9 | C.5-N.22-C.6-C.76-5-21-4 C.7-N.6-C.22-C.5 | -178.632 | Rigid Ring |
| 10 | C.5-N.22-C.6-O.2726-5-21-4 C.27-N.6-C.22-O.5 | 4.753 | Rigid |
| 11 | C.6-C.7-C.8-C.98-7-6-5 C.9-C.8-C.7-C.6 | -67.565 | Flexible |
| 12 | C.6-C.7-C.8-C.109-7-6-5 C.10-C.8-C.7-C.6 | 167.967 | Flexible |
| 13 | C.6-C.7-N.23-C.1110-22-6-5 C.11-C.23-N.7-C.6 | -147.334 | Rigid Ring |
| 14 | C.6-N.22-C.5-C.2120-4-21-5 C.21-N.5-C.22-C.6 | 144.85 | Flexible Ring |
| 15 | C.7-N.23-C.11-C.1211-10-22-6 C.12-N.11-C.23-C.7 | -176.075 | Rigid Ring |
| 16 | C.7-N.23-C.11-O.2827-10-22-6 C.28-N.11-C.23-O.7 | 3.834 | Rigid |
| 17 | C.8-C.7-C.6-N.2221-5-6-7 C.22-C.6-C.7-N.8 | 143.474 | Flexible |
| 18 | C.8-C.7-C.6-O.2726-5-6-7 C.27-C.6-C.7-O.8 | -39.896 | Flexible |
| 19 | C.8-C.7-N.23-C.1110-22-6-7 C.11-C.23-N.7-C.8 | 88.736 | Rigid |
| 20 | C.9-C.8-C.7-N.2322-6-7-8 C.23-C.7-C.8-N.9 | 56.482 | Flexible |
| 21 | C.10-C.8-C.7-N.2322-6-7-9 C.23-C.7-C.8-N.10 | -67.987 | Flexible |
| 22 | C.11-C.12-C.14-S.3130-13-11-10 C.31-C.14-C.12-S.11 | -96.413 | Flexible Ring |
| 23 | C.11-C.12-N.24-C.1514-23-11-10 C.15-C.24-N.12-C.11 | 101.983 | Rigid Ring |
| 24 | C.12-C.14-S.31-C.1514-30-13-11 C.15-C.31-S.14-C.12 | -17.601 | Rigid Ring |
| 25 | C.12-N.24-C.15-C.1615-14-23-11 C.16-N.15-C.24-C.12 | -170.125 | Rigid Ring |
| 26 | C.12-N.24-C.15-S.3130-14-23-11 C.31-N.15-C.24-S.12 | 5.222 | Rigid Ring |
| 27 | C.13-C.12-C.11-N.2322-10-11-12 C.23-C.11-C.12-N.13 | -121.229 | Rigid |
| 28 | C.13-C.12-C.11-O.2827-10-11-12 C.28-C.11-C.12-O.13 | 58.861 | Flexible |
| 29 | C.13-C.12-C.14-S.3130-13-11-12 C.31-C.14-C.12-S.13 | 143.195 | Flexible |
| 30 | C.13-C.12-N.24-C.1514-23-11-12 C.15-C.24-N.12-C.13 | -140.898 | Rigid |
| 31 | C.14-C.12-C.11-N.2322-10-11-13 C.23-C.11-C.12-N.14 | 116.583 | Rigid Ring |
| 32 | C.14-C.12-C.11-O.2827-10-11-13 C.28-C.11-C.12-O.14 | -63.326 | Flexible |
| 33 | C.14-C.12-N.24-C.1514-23-11-13 C.15-C.24-N.12-C.14 | -19.284 | Rigid Ring |
| 34 | C.14-S.31-C.15-C.1615-14-30-13 C.16-S.15-C.31-C.14 | -176.534 | Rigid Ring |
| 35 | C.14-S.31-C.15-N.2423-14-30-13 C.24-S.15-C.31-N.14 | 8.182 | Rigid Ring |
| 36 | C.15-C.16-C.17-S.3231-16-15-14 C.32-C.17-C.16-S.15 | -174.683 | Rigid Ring |
| 37 | C.15-C.16-N.25-C.1817-24-15-14 C.18-C.25-N.16-C.15 | 172.49 | Rigid Ring |
| 38 | C.16-C.17-S.32-C.1817-31-16-15 C.18-C.32-S.17-C.16 | 0.486 | Rigid Ring |
| 39 | C.16-N.25-C.18-C.1918-17-24-15 C.19-N.18-C.25-C.16 | -174.804 | Rigid Ring |
| 40 | C.16-N.25-C.18-S.3231-17-24-15 C.32-N.18-C.25-S.16 | 5.2 | Rigid Ring |
| 41 | C.17-C.16-C.15-N.2423-14-15-16 C.24-C.15-C.16-N.17 | -176.294 | Flexible Ring |
| 42 | C.17-C.16-C.15-S.3130-14-15-16 C.31-C.15-C.16-S.17 | 8.472 | Flexible Ring |
| 43 | C.17-C.16-N.25-C.1817-24-15-16 C.18-C.25-N.16-C.17 | -4.765 | Rigid Ring |
| 44 | C.17-S.32-C.18-C.1918-17-31-16 C.19-S.18-C.32-C.17 | 176.64 | Rigid Ring |
| 45 | C.17-S.32-C.18-N.2524-17-31-16 C.25-S.18-C.32-N.17 | -3.364 | Rigid Ring |
| 46 | C.18-C.19-N.26-C.2019-25-18-17 C.20-C.26-N.19-C.18 | 81.215 | Flexible Ring |
| 47 | C.19-N.26-C.20-C.2120-19-25-18 C.21-N.20-C.26-C.19 | -165.82 | Rigid Ring |
| 48 | C.19-N.26-C.20-O.2928-19-25-18 C.29-N.20-C.26-O.19 | 16.912 | Rigid |
| 49 | C.20-C.21-C.5-N.2221-4-20-19 C.22-C.5-C.21-N.20 | -76.355 | Flexible Ring |
| 50 | N.22-C.6-C.7-N.2322-6-5-21 N.23-C.7-C.6-N.22 | 18.222 | Rigid Ring |
| 51 | N.23-C.7-C.6-O.2726-5-6-22 N.27-C.6-C.7-O.23 | -165.149 | Flexible |
| 52 | N.23-C.11-C.12-N.2423-11-10-22 N.24-C.12-C.11-N.23 | -4.402 | Rigid Ring |
| 53 | N.24-C.12-C.11-O.2827-10-11-23 N.28-C.11-C.12-O.24 | 175.688 | Flexible |
| 54 | N.24-C.12-C.14-S.3130-13-11-23 N.31-C.14-C.12-S.24 | 23.681 | Flexible Ring |
| 55 | N.24-C.15-C.16-N.2524-15-14-23 N.25-C.16-C.15-N.24 | 6.886 | Rigid Ring |
| 56 | N.25-C.16-C.15-S.3130-14-15-24 N.31-C.15-C.16-S.25 | -168.348 | Rigid Ring |
| 57 | N.25-C.16-C.17-S.3231-16-15-24 N.32-C.17-C.16-S.25 | 2.279 | Rigid Ring |
| 58 | N.25-C.18-C.19-N.2625-18-17-24 N.26-C.19-C.18-N.25 | 6.69 | Flexible Ring |
| 59 | N.26-C.19-C.18-S.3231-17-18-25 N.32-C.18-C.19-S.26 | -173.314 | Flexible Ring |
| 60 | S.30-C.1-C.2-C.32-1-0-29 S.3-C.2-C.1-C.30 | -179.059 | Flexible |
Dihedrals Histogram