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Non-natural sidechain SwissSidechain - ILE

3D view

Name Isoleucine
Molecular Weight [g/mol] 132.18
logP -1.76
Sidechain logP 2.89
Volume [Å3 ] 171.40
Sidechain Volume [Å3 ] 85.73
pKa 2.23 / 9.76
SMILES [NH3][C@@H]([C@H](CC)C)C(=O)O
D-amino acid code DIL ;(PDB: DIL)
PDB References:
L-amino acid PDB   |   Ligand
D-amino acid PDB   |   Ligand
PubChem L:  6306  |  D:  76551
CAS number L: 73-32-5  |  D: 319-78-8

Download:

Files L-amino acid D-amino acid
PDB
MOL2
2D structures (PNG)
backbone-dependent rotamers
backbone-independent rotamers
Gromacs topology file Gromacs
CHARMM topology file CHARMM
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