reset()
## Heat capacity of LYSC_CHICK as a function of T
pH <- c(5, 9, 3)
T <- seq(0, 100)
# Cp of non-ionized protein
Cp.nonion <- subcrt("LYSC_CHICK", T = T)$out[[1]]$Cp
plot(T, Cp.nonion, xlab = axis.label("T"), type = "l",
ylab = axis.label("Cp"), ylim = c(20000, 35000))
# Cp of ionization and ionized protein
aa <- pinfo(pinfo("LYSC_CHICK"))
for(pH in c(5, 9, 3)) {
Cp.ionized <- Cp.nonion + ionize.aa(aa, "Cp", T = T, pH = pH)[, 1]
lines(T, Cp.ionized, lty = 2)
text(80, Cp.ionized[70], paste("pH =", pH) )
}
# Makhatadze and Privalov's group contributions
T <- c(5, 25, 50, 75, 100, 125)
points(T, MP90.cp("LYSC_CHICK", T))
# Privalov and Makhatadze's experimental values
e <- read.csv(system.file("extdata/cpetc/PM90.csv", package = "CHNOSZ"))
points(e$T, e$LYSC_CHICK, pch = 16)
legend("bottomright", pch = c(16, 1, NA, NA), lty = c(NA, NA, 1, 2),
legend = c("PM90 experiment", "MP90 groups",
"DLH06 groups no ion", "DLH06 groups ionized"))
title("Heat capacity of unfolded LYSC_CHICK")
Run the code above in your browser using DataLab