Mutations in the TI-loop affect the number of contacts with the linker during the MD simulation.

Interactions between the complete linker, its N- and C-terminal parts (240–249 and 250–257, respectively), K252, R253 and Y255 with the TI loop are summarized in terms of average contacts during the last 30 ns of simulation. Contacts are defined as atoms within a sphere of 3.5 Å.