Figure 4. HA detachment from the PrP core in E196K simulation 1. (A) Structures taken at 0.1, 47, and 48 ns. Residues D202, Y149, R156 and K196 are shown as sticks. Residues shown in gray sticks with a transparent Van der Waals radius are P137, I139, F141 on the S1-HA loop and M205, V209, M213 on HC. (B) DSSP analysis on the protein secondary structure. (C) Contacts between pairs of listed residues over 50 ns in simulation. (D) Window average (100 ps) of the number of contacts between residues P137, I139, F141 on the S1-HA loop and M205, V209, M213 on HC.