Non-natural sidechain SwissSidechain - ALO
3D view
| Name | Allo-threonine |
| Molecular Weight [g/mol] | 119.12 |
| logP | -2.98 |
| Sidechain logP | -0.3 |
| Volume [Å3 ] | 137.59 |
| Sidechain Volume [Å3 ] | 51.92 |
| pKa | 2.23 / 0.99 (predicted) |
| SMILES | [NH3][C@H](C(=O)O)[C@H](C)O |
| D-amino acid code | DALO ;(PDB: 2TL) |
| PDB References: | |
| L-amino acid | PDB | Ligand |
| D-amino acid | PDB | Ligand |
| PubChem | L: 99289 | D: 90624 |
| CAS number | L: 28954-12-3 | D: 24830-94-2 |
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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