Figure 3. Comparison of medin backbone dynamics using random coil index and root mean square fluctuation.

All atom RMSF data from OPLS-AA/L force field MD simulations (four independent trajectories)(MD1) and AMBER99SB force field with the TIP3P water model (MD2) performed on the top QUARK ab initio model are shown as black lines, solid and dashed respectively. RCI data derived from the NMR chemical shift data using the online server CSI 2.0³³.