diff --git a/rpg/core.py b/rpg/core.py index 3fa60554c48bc092fa37092ce8fa4539e502d3f7..046d6b9bbda9a5ae43502e56c05a1f3bf079b2b9 100644 --- a/rpg/core.py +++ b/rpg/core.py @@ -63,15 +63,26 @@ AA_MASS_AVERAGE = {"*" : 0.0, WATER_MASS = 18.01528 """Mass of a water molecule.""" -AA_PKA = {"Nterm" : 8.0, - "C" : 8.3, - "D" : 4.1, - "E" : 4.1, - "H" : 6.0, - "K" : 10.8, - "R" : 12.5, - "Y" : 10.9, - "Cterm" : 3.1} +# Biochemistry Stryer 7th +#AA_PKA = {"Nterm" : 8.0, +# "C" : 8.3, +# "D" : 4.1, +# "E" : 4.1, +# "H" : 6.0, +# "K" : 10.8, +# "R" : 12.5, +# "Y" : 10.9, +# "Cterm" : 3.1} +# IPC_peptide +AA_PKA = {"Nterm" : 9.564, + "C" : 8.297, + "D" : 3.887, + "E" : 4.317, + "H" : 6.018, + "K" : 10.517, + "R" : 12.503, + "Y" : 10.071, + "Cterm" : 2.383} """pKa of important amino acid to compute pI.""" def handle_errors(message="", err=1, error_type=""):