Predicting Homogeneous Pilus Structure from Monomeric Data and Sparse Constraints

Figure 8

Energy landscapes of the GC pilin in pili versus in unit cells. (a) shows a landscape plot and lowest-energy ensemble for the GC pilin packed in a pilus environment. Evident deviations on the N-terminal helix are shown (indicated by black arrow) between the models (colored) and the native structure (black). (b) shows the same subunits simulated in the crystal environment, including its oligomeric binding partners.

(a)

(b)