Figure 4. Gaussian MD Simulations of the ROC:COR domains in fl-LRRK2 and LRRK2^RCKW.

The GaMD representative structures of fl-LRRK2^INACT (top left) and LRRK2^RCKW (top right) are shown. Only fl-LRRK2^INACT includes the LRR–ROC linker motif, colored in red. The ROC and COR-A domains are colored in green and gold, respectively. In the RMSF analysis (bottom), LRRK2^RCKW shows higher RMSF for β1 and β8 of ROC domain and the first helix in CORA domain compared with fl-LRRK2^INACT. The figure highlights switch I, switch II, P-loop, and α3^ROC helix in the ROC domain, as well as regions in the CORA domain that interact with the LRR–COR linker and the Activation Segment.