Predicting Homogeneous Pilus Structure from Monomeric Data and Sparse Constraints

摘要: Type IV pili (T4P) and T2SS (Type II Secretion System) pseudopili are filaments extending beyond microbial surfaces, comprising homologous subunits called “pilins.” In this paper, we presented a new approach to predict pseudo atomic models of combining ambiguous symmetric constraints with sparse distance information obtained from experiments based neither on electronic microscope (EM) maps nor accurate priori details. The was validated by the reconstruction gonococcal (GC) pilus Neisseria gonorrhoeae, type IVb toxin-coregulated (TCP) Vibrio cholerae, pseudopilus pullulanase (the PulG pilus) Klebsiella oxytoca. addition, analyses computational errors showed that should be treated cautiously, as they slightly flexible not strictly rigid bodies. A global sampling in wider range also implemented implied might have more than one but fewer many possible intact conformations.