Table 1. Summary of the simulated systems with wild-type protein.
System | The region of CP involved in the interaction with phospholipid bilayer* |
AtCP | |
50% POPA (−1)/POPC | α tentacle |
20% POPA (−1)/POPC | no binding |
20% POPA (−2)/POPC | α tentacle |
10% POPA (−2)/POPC | no binding |
5% POPIP2/POPC | α tentacle, β tentacle |
1% POPIP2/POPC | loose binding |
GgCP | |
20% POPA (−2)/POPC | β tentacle |
5% POPIP2/POPC | α tentacle, β tentacle |
1% POPIP2/POPC | α tentacle |
POPC | no binding |
All simulations were run for 500 ns and repeated 3–5 times with different initial velocities.