Research Article
Study on Molecular Recognition between Euphorbia Factor L713283 and β-Tubulin via Molecular Simulation Methods
Table 2
The dihedral angle information of both rings and side chains for L713283 molecule.
| Regions | Dihedral angles | Average value | Standard deviation | Fluctuation scope | Initial structure |
| Large ring | C1-C2-C3-C4 | −174.79 | 13.52 | 7.6% | −172.51 | C2-C3-C4-C5 | −131.89 | 14.57 | 8.1% | −136.26 | C3-C4-C5-C11 | 1.50 | 7.60 | 4.2% | 3.20 | C4-C5-C11-C12 | 38.74 | 8.29 | 4.6% | 36.22 | C5-C11-C12-C13 | −127.44 | 7.66 | 4.3% | −128.23 | C11-C12-C13-C16 | 175.50 | 6.01 | 3.3% | 174.21 | C12-C13-C16-C18 | −59.91 | 7.30 | 4.1% | −60.01 | C13-C16-C18-C19 | −60.98 | 6.26 | 3.5% | −61.29 | C16-C18-C19-C1 | 127.87 | 4.98 | 2.7% | 128.63 | C18-C19-C1-C2 | −63.13 | 7.40 | 4.1% | −64.52 | C19-C1-C2-C3 | −33.80 | 15.41 | 8.6% | −38.25 |
| Middle ring | C18-C19-C21-C22 | 35.67 | 4.57 | 2.5% | 35.29 | C19-C21-C22-C23 | −33.61 | 4.39 | 2.4% | −33.54 | C21-C22-C23-C18 | 42.04 | 4.63 | 2.6% | 40.52 | C22-C23-C18-C19 | 123.50 | 4.31 | 2.4% | 123.48 | C23-C18-C19-C21 | −105.84 | 5.21 | 2.9% | −103.24 |
| Side chain | O20-C19-C21-C22 | −152.06 | 4.86 | 2.7% | −153.91 | O25-C23-C18-C19 | 179.82 | 6.11 | 3.4% | 177.10 | O17-C16-C18-C19 | 122.90 | 8.30 | 4.6% | 129.51 | C14-C13-C16-C18 | −8.41 | 6.82 | 3.8% | −10.21 | O7-C6-C4-C3 | −88.59 | 5.86 | 3.2% | −89.54 |
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The fluctuation scope is the standard deviation/180.
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