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Non-natural sidechain SwissSidechain - HIS

3D view

Name Histidine
Molecular Weight [g/mol] 156.16
logP -2.52
Sidechain logP 0.23
Volume [Å3 ] 168.04
Sidechain Volume [Å3 ] 82.38
pKa 1.77 / 9.18 / 6.1
SMILES [NH3][C@@H](Cc1c[nH]cn1)C(=O)O
D-amino acid code DHI ;(PDB: DHI)
PDB References:
L-amino acid PDB   |   Ligand
D-amino acid PDB   |   Ligand
PubChem L:  6274  |  D:  71083
CAS number L: 71-00-1  |  D: 351-50-8

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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