Modeling and Simulating the Dynamics of Type IV Pili Extension of Pseudomonas aeruginosa

Bacteria such as Pseudomonas aeruginosa use type IV pili to move across surfaces. The pili extend, attach to the surface, and then retract to move the bacteria forward. In this article, a coarse-grained model of pilus extension and attachment is developed. Simulations performed at biologically relevant conditions indicate that pilus extension is a quasistatic process such that the pili are able to relax via thermal fluctuations as it is being built and extended. Results are generated for pili with different rigidities ranging from very flexible to very stiff. It is shown that very flexible pili do not extend very far and thus would limit the bacteria to short jumps forward while stiff pili enable much greater displacements. Feasible mechanisms of attachment to the surface are also found to vary greatly between flexible and stiff pili. While it is not always the tip of flexible pili that first makes contact with the substrate, it is likely to be a part of the pili that is close to the tip. Conversely, stiff pili are much more likely to make contact with the substrate via the tip, but if not then the part of the pilus that attaches can be quite far from the tip. These results thus give insight to help resolve current discrepancies in the literature regarding pilus stiffness and the location of adhesins on pili.