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powerHaDeX (version 1.0)

get_pkc: Calculating pKc values

Description

calculates supplementary constants for aspartic acid (Asp), glutamic acid (Glu) and histidine (His). Values for mentioned amino acids are pH and temperature dependent, in contrary to the rest amino acids with fixed values.

Usage

get_pkc(temp_kelvin, gas_constant, exchange = "HD")

Arguments

temp_kelvin

temperature reaction in Kelvins

gas_constant

gas constant (1/(dT * R) = 1.9858775)

exchange

type of exchange - "HD" for hydrogen to deuterium, "DH" for deuterium to hydrogen (back-exchange). Default "HD".

Value

The function returns a list of asp, glu and his (pKc values corresponding to amino acids).

Details

Depending on provided exchange direction tabular values of exponents E_const are assigned. For Asp, Glu and His the pKc constants are calculated based on the energies of activation for given amino acid and the chosen exchange direction.