4-(n-hydroxyamino)-2r-isobutyl-2s-(2-thienylthiomethyl)succinyl-l-phenylalanine-n-methylamide (BAT) Summary
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- 4-(n-hydroxyamino)-2r-isobutyl-2s-(2-thienylthiomethyl)succinyl-l-phenylalanine-n-methylamide (BAT) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | C1.1-C2.2-N1.24-O2.2827-23-1-0 C1.28-C2.24-N1.2-O2.1 | 163.972 | Rigid |
| 2 | C1.1-C3.3-S1.31-C4.43-30-2-0 C1.4-C3.31-S1.3-C4.1 | 102.877 | Flexible |
| 3 | C1.1-C8.8-C9.9-C10.109-8-7-0 C1.10-C8.9-C9.8-C10.1 | 178.158 | Flexible |
| 4 | C1.1-C8.8-C13.13-N2.2524-12-7-0 C1.25-C8.13-C13.8-N2.1 | 121.718 | Flexible |
| 5 | C1.1-C8.8-C13.13-O3.2928-12-7-0 C1.29-C8.13-C13.8-O3.1 | -55.518 | Flexible |
| 6 | C2.2-C1.1-C3.3-S1.3130-2-0-1 C2.31-C1.3-C3.1-S1.2 | -68.421 | Flexible |
| 7 | C2.2-C1.1-C8.8-C9.98-7-0-1 C2.9-C1.8-C8.1-C9.2 | 56.961 | Flexible |
| 8 | C2.2-C1.1-C8.8-C13.1312-7-0-1 C2.13-C1.8-C8.1-C13.2 | 177.468 | Flexible |
| 9 | C3.3-C1.1-C2.2-N1.2423-1-0-2 C3.24-C1.2-C2.1-N1.3 | 118.349 | Flexible |
| 10 | C3.3-C1.1-C2.2-O1.2726-1-0-2 C3.27-C1.2-C2.1-O1.3 | -58.468 | Flexible |
| 11 | C3.3-C1.1-C8.8-C9.98-7-0-2 C3.9-C1.8-C8.1-C9.3 | 178.171 | Flexible |
| 12 | C3.3-C1.1-C8.8-C13.1312-7-0-2 C3.13-C1.8-C8.1-C13.3 | -61.323 | Flexible |
| 13 | C3.3-S1.31-C4.4-C5.54-3-30-2 C3.5-S1.4-C4.31-C5.3 | 77.45 | Flexible |
| 14 | C3.3-S1.31-C4.4-S2.3231-3-30-2 C3.32-S1.4-C4.31-S2.3 | -104.771 | Flexible |
| 15 | C4.4-C5.5-C6.6-C7.76-5-4-3 C4.7-C5.6-C6.5-C7.4 | 0.487 | Rigid Ring |
| 16 | C4.4-S2.32-C7.7-C6.65-6-31-3 C4.6-S2.7-C7.32-C6.4 | -0.349 | Rigid Ring |
| 17 | C5.5-C4.4-S2.32-C7.76-31-3-4 C5.7-C4.32-S2.4-C7.5 | 0.607 | Rigid Ring |
| 18 | C5.5-C6.6-C7.7-S2.3231-6-5-4 C5.32-C6.7-C7.6-S2.5 | 0.008 | Rigid Ring |
| 19 | C6.6-C5.5-C4.4-S1.3130-3-4-5 C6.31-C5.4-C4.5-S1.6 | 177.3 | Rigid |
| 20 | C6.6-C5.5-C4.4-S2.3231-3-4-5 C6.32-C5.4-C4.5-S2.6 | -0.74 | Rigid Ring |
| 21 | C7.7-S2.32-C4.4-S1.3130-3-31-6 C7.31-S2.4-C4.32-S1.7 | -177.478 | Rigid |
| 22 | C8.8-C1.1-C2.2-N1.2423-1-0-7 C8.24-C1.2-C2.1-N1.8 | -120.17 | Flexible |
| 23 | C8.8-C1.1-C2.2-O1.2726-1-0-7 C8.27-C1.2-C2.1-O1.8 | 63.013 | Flexible |
| 24 | C8.8-C1.1-C3.3-S1.3130-2-0-7 C8.31-C1.3-C3.1-S1.8 | 168.726 | Flexible |
| 25 | C8.8-C9.9-C10.10-C11.1110-9-8-7 C8.11-C9.10-C10.9-C11.8 | 78.158 | Flexible |
| 26 | C8.8-C9.9-C10.10-C12.1211-9-8-7 C8.12-C9.10-C10.9-C12.8 | -161.339 | Flexible |
| 27 | C8.8-C13.13-N2.25-C14.1413-24-12-7 C8.14-C13.25-N2.13-C14.8 | -177.772 | Rigid |
| 28 | C9.9-C8.8-C13.13-N2.2524-12-7-8 C9.25-C8.13-C13.8-N2.9 | -117.062 | Flexible |
| 29 | C9.9-C8.8-C13.13-O3.2928-12-7-8 C9.29-C8.13-C13.8-O3.9 | 65.702 | Rigid |
| 30 | C10.10-C9.9-C8.8-C13.1312-7-8-9 C10.13-C9.8-C8.9-C13.10 | 61.66 | Flexible |
| 31 | C13.13-N2.25-C14.14-C15.1514-13-24-12 C13.15-N2.14-C14.25-C15.13 | -105.438 | Flexible |
| 32 | C13.13-N2.25-C14.14-C17.1716-13-24-12 C13.17-N2.14-C14.25-C17.13 | 132.942 | Flexible |
| 33 | C14.14-C15.15-N3.26-C16.1615-25-14-13 C14.16-C15.26-N3.15-C16.14 | 179.684 | Rigid |
| 34 | C14.14-C17.17-C18.18-C19.1918-17-16-13 C14.19-C17.18-C18.17-C19.14 | 65.407 | Flexible |
| 35 | C14.14-C17.17-C18.18-C23.2322-17-16-13 C14.23-C17.18-C18.17-C23.14 | -119.011 | Flexible |
| 36 | C14.14-N2.25-C13.13-O3.2928-12-24-13 C14.29-N2.13-C13.25-O3.14 | -0.603 | Rigid |
| 37 | C15.15-C14.14-C17.17-C18.1817-16-13-14 C15.18-C14.17-C17.14-C18.15 | -157.524 | Flexible |
| 38 | C16.16-N3.26-C15.15-O4.3029-14-25-15 C16.30-N3.15-C15.26-O4.16 | -0.396 | Rigid |
| 39 | C17.17-C14.14-C15.15-N3.2625-14-13-16 C17.26-C14.15-C15.14-N3.17 | -93.666 | Flexible |
| 40 | C17.17-C14.14-C15.15-O4.3029-14-13-16 C17.30-C14.15-C15.14-O4.17 | 86.412 | Flexible |
| 41 | C17.17-C18.18-C19.19-C20.2019-18-17-16 C17.20-C18.19-C19.18-C20.17 | 175.252 | Rigid |
| 42 | C17.17-C18.18-C23.23-C22.2221-22-17-16 C17.22-C18.23-C23.18-C22.17 | -175.242 | Rigid |
| 43 | C18.18-C17.17-C14.14-N2.2524-13-16-17 C18.25-C17.14-C14.17-N2.18 | -35.369 | Flexible |
| 44 | C18.18-C19.19-C20.20-C21.2120-19-18-17 C18.21-C19.20-C20.19-C21.18 | 0.1 | Rigid Ring |
| 45 | C18.18-C23.23-C22.22-C21.2120-21-22-17 C18.21-C23.22-C22.23-C21.18 | -0.163 | Rigid Ring |
| 46 | C19.19-C18.18-C23.23-C22.2221-22-17-18 C19.22-C18.23-C23.18-C22.19 | 0.471 | Rigid Ring |
| 47 | C19.19-C20.20-C21.21-C22.2221-20-19-18 C19.22-C20.21-C21.20-C22.19 | 0.222 | Rigid Ring |
| 48 | C20.20-C19.19-C18.18-C23.2322-17-18-19 C20.23-C19.18-C18.19-C23.20 | -0.444 | Rigid Ring |
| 49 | C20.20-C21.21-C22.22-C23.2322-21-20-19 C20.23-C21.22-C22.21-C23.20 | -0.194 | Rigid Ring |
| 50 | N2.25-C14.14-C15.15-N3.2625-14-13-24 N2.26-C14.15-C15.14-N3.25 | 144.029 | Flexible |
| 51 | N2.25-C14.14-C15.15-O4.3029-14-13-24 N2.30-C14.15-C15.14-O4.25 | -35.894 | Flexible |
| 52 | O1.27-C2.2-N1.24-O2.2827-23-1-26 O1.28-C2.24-N1.2-O2.27 | -19.229 | Rigid |
Dihedrals Histogram