[gmx-users] Protonation state of phospho-tyrosine in neutral PH

[Zheng Ruan]

Hi Gromacs Users,

I'm trying to run simulation on a protein with phosphorylated tyrosine
residues. The amber force field parameters (http://research.bmh.
manchester.ac.uk/bryce/amber) provides three different protonation states
of the phospho-tyrosine residue. What is the predominant form of
phospho-tyrosine residue in neutral PH? Is there a reference about the PKa
values associated with each protonation state?

Thank you!
Ruan