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. Author manuscript; available in PMC: 2012 Dec 1.
Published in final edited form as: Proteins. 2011 Oct 15;79(12):3276–3286. doi: 10.1002/prot.23195

Figure 4. pKa values of GLU and ASP residues in 29 internal positions in staphylococcal nuclease.

Figure 4

This is a list of mutations in order of increasing unsigned difference of experimental determination of apparent pKa value, and its calculated value using CPHMD. Approximately half (48%) of the calculated values had a difference of less than 1 pK unit.