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. 2017 Dec 6;12(12):e0189154. doi: 10.1371/journal.pone.0189154

Fig 3. RMSD, RMSF, inter molecular hydrogen bonds and binding energy plots for 40 ns MD simulations to investigate stability and fluctuation of bound and apo-LPAR6.

Fig 3

Apo-LPAR6 and its bound forms (apo-LPAR6, LPAR6-BuIA, LPAR6- contryphan-R and LPAR6- contryphan-Lo) are illustrated in grey, red, golden rod, and green colours, respectively. (A) RMSD plots were computed through least square fitting of backbone Cα-atoms. (B) Comparative RMSF plots of apo-LPAR6 (grey), LPAR6-BuIA (red), LPAR6- contryphan-R (goldenrod) and LPAR6- contryphan-Lo (green). More fluctuating residues are labelled in the corresponding colours. (C) Intermolecular hydrogen bonds of LPAR6 specific residues in complex with BuIA, contryphan-R and contryphan-Lo. (D) LJ-SR binding energy plot for 40 ns MD simulation.