We study the interactions between a cationic polypeptide chain with tunable hydrophobicity and a fluid phosphatidyl-choline lipid monolayer composed of neutral, tetravalent phosphatidylinositol 4, 5-bisphosphate and univalent phosphatidylserine acidic lipids at various ionic concentrations of the salt solution, using a simple coarse-grained Monte Carlo model. Our work illustrates that the enhancement in the polypeptide hydrophobicity strengthens the short-range attractions between monomers, which elevates the electrostatic energy gain of the polypeptide/membrane complexity, but enlarges the conformational entropy loss of the shrunken polypeptide and demixing entropy loss of the segregated acidic lipids. These energy-entropy competitions result in qualitatively different dependences of anchoring/dissociation transition critical ionic concentration on hydrophobic monomer-monomer energy parameter ε_h for polypeptides with short and long chain lengths. In the anchoring region, we show that changing the polypeptide hydrophobicity leads to diverse chain conformations at various ionic concentrations for polypeptides with both short and long chain lengths. Furthermore, we illustrate the non-trivial feature of the reorganization of the acidic lipids underneath the anchored polypeptides. Our work demonstrates that the chain conformations of the anchored polypeptides with different hydrophobicities can be a key factor influencing the amounts and concentration gradients of the segregated acidic lipids. These findings suggest that polypeptide hydrophobicity provides an efficient molecular factor for tailoring the anchoring/association transition and interfacial structures of the polypeptide/membrane complexities, thereby offering insight into the innovation of new biotechnologies based on the functional switch of the anchored biopolymers and the regulation of messenger lipids.

我们研究了具有可变疏水性的阳离子多肽链与由中性，四价磷脂酰肌醇4、5-双磷酸酯和一价磷脂酰丝氨酸酸性脂质在不同离子浓度的盐溶液中组成的液体磷脂酰胆碱脂质单层之间的相互作用，方法是使用简单的粗粒状蒙特卡洛模型。我们的工作表明，多肽疏水性的增强增强了单体之间的短程吸引力，从而提高了多肽/膜复杂性的静电能增益，但增大了收缩的多肽的构象熵损失和分离的酸性分子的混合熵损失。脂质。ε _{^ h}用于具有短和长链长度的多肽。在锚定区域中，我们显示出改变多肽的疏水性会导致不同离子浓度的短链和长链多肽在不同离子浓度下具有多种链构象。此外，我们举例说明了锚定多肽下面的酸性脂质重组的非平凡特征。我们的工作表明，具有不同疏水性的锚定多肽的链构象可能是影响分离的酸性脂质的数量和浓度梯度的关键因素。这些发现表明，多肽疏水性为定制多肽/膜复杂性的锚定/缔合过渡和界面结构提供了有效的分子因子，