[((1r)-2-{(2s)-2-[({4-[amino(imino)methyl]benzyl}amino)carbonyl]azetidinyl}-1-cyclohexyl-2-oxoethyl)amino]acetic acid (MEL) Summary
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- [((1r)-2-{(2s)-2-[({4-[amino(imino)methyl]benzyl}amino)carbonyl]azetidinyl}-1-cyclohexyl-2-oxoethyl)amino]acetic acid (MEL) 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 | -52.586 | Rigid Ring |
| 2 | C.1-C.6-C.5-C.43-4-5-0 C.4-C.5-C.6-C.1 | 58.615 | Rigid Ring |
| 3 | C.1-C.8-N.7-C.2827-6-7-0 C.28-C.7-N.8-C.1 | -171.829 | Flexible |
| 4 | C.1-C.8-C.9-O.109-8-7-0 C.10-C.9-C.8-O.1 | -71.138 | Flexible |
| 5 | C.1-C.8-C.9-N.1110-8-7-0 C.11-C.9-C.8-N.1 | 107.868 | Flexible |
| 6 | C.2-C.1-C.6-C.54-5-0-1 C.5-C.6-C.1-C.2 | -54.13 | Rigid Ring |
| 7 | C.2-C.1-C.8-N.76-7-0-1 C.7-C.8-C.1-N.2 | 51.408 | Flexible |
| 8 | C.2-C.1-C.8-C.98-7-0-1 C.9-C.8-C.1-C.2 | 168.951 | Flexible |
| 9 | C.2-C.3-C.4-C.54-3-2-1 C.5-C.4-C.3-C.2 | 55.816 | Rigid Ring |
| 10 | C.3-C.4-C.5-C.65-4-3-2 C.6-C.5-C.4-C.3 | -59.27 | Rigid Ring |
| 11 | C.6-C.1-C.2-C.32-1-0-5 C.3-C.2-C.1-C.6 | 51.559 | Rigid Ring |
| 12 | C.6-C.1-C.8-N.76-7-0-5 C.7-C.8-C.1-N.6 | 174.742 | Flexible |
| 13 | C.6-C.1-C.8-C.98-7-0-5 C.9-C.8-C.1-C.6 | -67.714 | Flexible |
| 14 | N.7-C.8-C.9-O.109-8-7-6 N.10-C.9-C.8-O.7 | 46.804 | Flexible |
| 15 | N.7-C.8-C.9-N.1110-8-7-6 N.11-C.9-C.8-N.7 | -134.191 | Flexible |
| 16 | N.7-C.28-C.29-O.3029-28-27-6 N.30-C.29-C.28-O.7 | -16.059 | Flexible |
| 17 | N.7-C.28-C.29-O.3130-28-27-6 N.31-C.29-C.28-O.7 | 159.863 | Flexible |
| 18 | C.8-C.1-C.2-C.32-1-0-7 C.3-C.2-C.1-C.8 | 174.983 | Rigid |
| 19 | C.8-C.1-C.6-C.54-5-0-7 C.5-C.6-C.1-C.8 | -178.841 | Rigid |
| 20 | C.8-N.7-C.28-C.2928-27-6-7 C.29-N.28-C.7-C.8 | -154.612 | Flexible |
| 21 | C.8-C.9-N.11-C.1211-10-8-7 C.12-C.11-N.9-C.8 | 171.553 | Flexible |
| 22 | C.8-C.9-N.11-C.2726-10-8-7 C.27-C.11-N.9-C.8 | 7.876 | Flexible |
| 23 | C.9-C.8-N.7-C.2827-6-7-8 C.28-C.7-N.8-C.9 | 69.841 | Flexible |
| 24 | C.9-N.11-C.12-C.1312-11-10-8 C.13-N.12-C.11-C.9 | -52.979 | Rigid |
| 25 | C.9-N.11-C.12-C.2625-11-10-8 C.26-N.12-C.11-C.9 | -179.673 | Rigid |
| 26 | C.9-N.11-C.27-C.2625-26-10-8 C.26-N.27-C.11-C.9 | 177.744 | Rigid |
| 27 | O.10-C.9-N.11-C.1211-10-8-9 O.12-C.11-N.9-C.10 | -9.484 | Flexible |
| 28 | O.10-C.9-N.11-C.2726-10-8-9 O.27-C.11-N.9-C.10 | -173.16 | Rigid |
| 29 | N.11-C.12-C.13-O.1413-12-11-10 N.14-C.13-C.12-O.11 | -49.831 | Flexible |
| 30 | N.11-C.12-C.13-N.1514-12-11-10 N.15-C.13-C.12-N.11 | 124.533 | Flexible |
| 31 | N.11-C.12-C.26-C.2726-25-11-10 N.27-C.26-C.12-C.11 | 10.213 | Rigid Ring |
| 32 | N.11-C.27-C.26-C.1211-25-26-10 N.12-C.26-C.27-C.11 | -10.349 | Rigid Ring |
| 33 | C.12-N.11-C.27-C.2625-26-10-11 C.26-N.27-C.11-C.12 | 10.866 | Rigid Ring |
| 34 | C.12-C.13-N.15-C.1615-14-12-11 C.16-C.15-N.13-C.12 | -168.589 | Rigid |
| 35 | C.13-C.12-N.11-C.2726-10-11-12 C.27-C.11-N.12-C.13 | 115.772 | Rigid |
| 36 | C.13-C.12-C.26-C.2726-25-11-12 C.27-C.26-C.12-C.13 | -102.805 | Rigid |
| 37 | C.13-N.15-C.16-C.1716-15-14-12 C.17-N.16-C.15-C.13 | 116.27 | Flexible |
| 38 | O.14-C.13-C.12-C.2625-11-12-13 O.26-C.12-C.13-C.14 | 50.728 | Flexible |
| 39 | O.14-C.13-N.15-C.1615-14-12-13 O.16-C.15-N.13-C.14 | 5.686 | Rigid |
| 40 | N.15-C.13-C.12-C.2625-11-12-14 N.26-C.12-C.13-C.15 | -134.908 | Flexible |
| 41 | N.15-C.16-C.17-C.1817-16-15-14 N.18-C.17-C.16-C.15 | 89.443 | Flexible |
| 42 | N.15-C.16-C.17-C.2221-16-15-14 N.22-C.17-C.16-C.15 | -90.584 | Flexible |
| 43 | C.16-C.17-C.18-C.1918-17-16-15 C.19-C.18-C.17-C.16 | 179.408 | Rigid |
| 44 | C.16-C.17-C.22-C.2120-21-16-15 C.21-C.22-C.17-C.16 | -179.505 | Rigid |
| 45 | C.17-C.18-C.19-C.2019-18-17-16 C.20-C.19-C.18-C.17 | 0.384 | Rigid Ring |
| 46 | C.17-C.22-C.21-C.2019-20-21-16 C.20-C.21-C.22-C.17 | -0.18 | Rigid Ring |
| 47 | C.18-C.17-C.22-C.2120-21-16-17 C.21-C.22-C.17-C.18 | 0.468 | Rigid Ring |
| 48 | C.18-C.19-C.20-C.2120-19-18-17 C.21-C.20-C.19-C.18 | -0.088 | Rigid Ring |
| 49 | C.18-C.19-C.20-C.2322-19-18-17 C.23-C.20-C.19-C.18 | 175.307 | Rigid |
| 50 | C.19-C.18-C.17-C.2221-16-17-18 C.22-C.17-C.18-C.19 | -0.566 | Rigid Ring |
| 51 | C.19-C.20-C.21-C.2221-20-19-18 C.22-C.21-C.20-C.19 | -0.013 | Rigid Ring |
| 52 | C.19-C.20-C.23-N.2423-22-19-18 C.24-C.23-C.20-N.19 | -18.638 | Rigid |
| 53 | C.19-C.20-C.23-N.2524-22-19-18 C.25-C.23-C.20-N.19 | 168.481 | Rigid |
| 54 | C.21-C.20-C.23-N.2423-22-19-20 C.24-C.23-C.20-N.21 | 156.422 | Rigid |
| 55 | C.21-C.20-C.23-N.2524-22-19-20 C.25-C.23-C.20-N.21 | -16.459 | Rigid |
| 56 | C.22-C.21-C.20-C.2322-19-20-21 C.23-C.20-C.21-C.22 | -175.15 | Rigid |
| 57 | C.26-C.12-N.11-C.2726-10-11-25 C.27-C.11-N.12-C.26 | -10.922 | Rigid Ring |
Dihedrals Histogram