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. 2003 Mar;121(3):227–244. doi: 10.1085/jgp.20028768

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Copyright © 2003, The Rockefeller University Press

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Figure 3. — Molecular simulations of the COOH-terminal domains of EcoMscL. The results of 1-ns simulation of (A) Tb-like model, and (B) COMP-like model at 310 K. The initial conformations are represented as red tube; the final frames are shown as blue tube. (C) Distance trajectories for representative pairs of equivalent residues on the hydrophobic (I125) and polar (E119) sides of adjacent S3 helixes. The bottom panel shows root mean square deviations of absolute coordinates (RMSD) and of relative distances (RMSDd) derived from the 310K trajectories of C_β atoms of the residues K106, P109, and A112 (linkers) and L121, I125, and L129 (bundle).