Table 4.
Summary of Experimental and Simulation Findings for Each Peptide
| Peptide | Experiment | Simulation |
|---|---|---|
| Melittin | Transient pores at high peptide concentration (e.g., P:L ≥ 1:50) (18,20) | Very small and unstable pore with four peptides. Two peptides leave the pore. |
| MelP5 | Active at lower peptide concentrations than melittin (e.g., P:L = 1:500) (20). Requires higher peptide concentrations than pHD15 at low pH and mac70 (22). | Small but stable pore |
| pHD15, pH 7 | Peptide is random coil and does not bind the membrane (21,24). | Helices unfold and come to the surface. Water pore seems unstable. |
| pHD15, pH 5 | Potent pore former at very low peptide concentrations (21) | A large pore forms when Ct is protonated as well as Glu, Asp, and His residues. |
| mac70, neutral and low pH | Potent pore former at low peptide concentrations (22) | Large pores at neutral pH and low pH where Glu residues and Ct are protonated |
| MelP5_Δ6 | Designed to be active at low pH, but needs high concentrations of peptide and only makes small pores (23) | Small, defect-like pore at low pH |