Fig. 11.

Porcupine plot displaying the motion of mpox virus proteins I7L, Top1B and VETFS with the ligands BAT, BUR and ELU obtained from PC1 during the 150 ns of simulation. The colours pink, blue, yellow and white represent α-helix, 3–10 helix, β-sheet and loops/coils of the proteins respectively. The ligands bound to the proteins are depicted in green colour. The fluctuations in Cα atoms above 2 Å are presented in the form of red coloured cones where the length of the cones represent amplitude of the Cα atoms from their mean positions. The illustrations were created with VMD.