thank you, yes I am aware of  propka and I know very well that the local 
environment of the amino acid is what contributes to its pka based on things 
like whether it is buried or exposed or involved in H-bonding. I am in the 
process of responding to a reviewer who suggests but does not give references 
that  in vivo conditions can alter the ionisation of some amino acids 
differently to in vitro. I am struggling to respond to this without some sort 
of proof or study on the matter
C


On Wednesday, August 13, 2014 2:38 PM, David Briggs <[email protected]> 
wrote:
 


Dear Careina, 

Following on from what Herman said, if you have a structure you can use the 
propKa server

http://propka.ki.ku.dk/


to predict pKas for amino acids in the local environment as found in your 
structure. 

Perhaps some of the propKa literature might also be helpful? 

HTH, 

Dave


  
   David Briggs
about.me/david_briggs 
  


On 13 August 2014 12:40, Careina Edgooms 
<[email protected]> wrote:

Sorry for off topic question, just wondering if anyone has come across a study 
that shows the residue pka of certain amino acids is different in vitro 
compared to in vivo?
>
>
>Best
>Careina

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