1. FIGURE 1 (a) : Structure of protein with PDB ID 4HKR (b) Engineered protein forming the pore
FIGURE 2: Ligand binding sites (shows only the perfect FIGURE 3: Iso electrostatic potential contour map
Contact residues
FIGURE 4 : Potential energy vs time
0 10 20 30 40 50
2000
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E_pot
E_kin
E_tot
Enegy(kcal/mol)
Time (ps)
Energy(kcal/mol)

2. FIGURE 5. Water-ion model of the ion channel protein with PDB ID 4HKR