MD simulations of the CSF-1R cytoplasmic domain in the inactive state.

<p>Two forms of receptor, the native (CSF-1R^WT and CSF-1R^MU (D802V) were simulated twice during 50 ns. (<b>A</b>) The Root Mean Square Deviation (RMSD) values were calculated for backbone atoms from trajectories 1 and 2 of MD simulations of CSF-1R^WT (black and blue) and CSF-1R ^MU (red and orange). RMSDs (in <i>nm</i>) plotted versus simulation time (<i>ns</i>) and showed separately for N- and C-lobes, JMR and A-loop regions. (<b>B</b>) The Root Mean Square Fluctuations (RMSF) computed on the backbone atoms over the total production simulation time of CSF-1R^MU (red) were compared to those in CSF-1R^WT (black). The RMSFs of the A-loop is zoomed in the insert. The average conformations for CSF-1R^WT (<b>C</b>) and CSF-1R^MU (<b>D</b>) are presented as tubes. The size of the tube is proportional to the by-residue atomic fluctuations computed on the backbone atoms. The high fluctuation region found in proteins, are specified by red color and numerated from 1 to 10 in B–D. The size of numbers in <b>D</b> is proportional to RMSFs.