Figure 4: SMD shows unfolding of XMod destabilizes Doc:Coh binding interface.
From: Ultrastable cellulosome-adhesion complex tightens under load
XMod was unfolded by moving the harmonic restraint to the C terminus of XMod while the N terminus was moved at 0.625 Å ns−1. (a) Surface representation of XMod-Doc:Coh complex with Doc insert sequences. Coh is shown in blue, Doc in red and green (inserts), and XMod in yellow. (b) Force time trace of XMod unfolding. The domain starts to unfold in several substeps starting at ~400 pN. Snapshots at different time steps are labelled I-V and are shown in (c). Steps IV and V are shown at smaller scale. (d) Average number of hydrogen bonds between Doc:Coh (black) and XMod-Doc (red). XMod-Doc contact is dominated by the insert sequences 1–3. (e) Root mean squared deviation (RMSD) of Doc (black) and Coh (red).
