Non-natural sidechain SwissSidechain - IIL
3D view
| Name | Allo-Isoleucine |
| Molecular Weight [g/mol] | 132.18 |
| logP | -1.76 |
| Sidechain logP | 2.89 |
| Volume [Å3 ] | 171.18 |
| Sidechain Volume [Å3 ] | 85.52 |
| pKa | 2.79 / 9.59 (predicted) |
| SMILES | CC[C@H]([C@@H](C(=O)O)[NH3])C |
| D-amino acid code | DIIL |
| PDB References: | |
| L-amino acid | PDB | Ligand |
| D-amino acid | Not available |
| PubChem | |
| CAS number | L: 1509-34-8 | D: 1509-35-9 |
Download:
| Files | L-amino acid | D-amino acid | |
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| MOL2 | |
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| 2D structures (PNG) | |
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| backbone-dependent rotamers | |
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| backbone-independent rotamers | |
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| Gromacs topology file | |
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| CHARMM topology file | |
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