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ProteinPrepare模块

PlayMolecule ProteinPrepare: A Web Application for Protein Preparation for Molecular Dynamics Simulations

 Amino Acid Residue Additions (see dat/PATCHES.xml)

     ASH        :   Neutral ASP

     CYX        :   SS-bonded CYS

     CYM        :   Negative CYS

     GLH        :   Neutral GLU

     HIP        :   Positive HIS

     HID        :   Neutral HIS, proton HD1 present

     HIE        :   Neutral HIS, proton HE2 present

     LYN        :   Neutral LYS

     TYM        :   Negative TYR

Start terminus GLU-1: NH3+

End terminus SER-215: COO-