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. Author manuscript; available in PMC: 2011 Oct 14.
Published in final edited form as: J Phys Chem B. 2010 Oct 14;114(40):12811–12824. doi: 10.1021/jp105813j

Figure 6. Distance deviation matrices for α-carbon atoms in simulations with TIP3P water.

Figure 6

Each panel is a color representation of the matrix of interatomic distances between α-carbons in the protein monomer. (Numbers on the axes of each plot refers to residue numbers, and colored bars on axes refer to secondary structural elements.) Results are presented as differences between the average distances obtained over all 48 symmetry-related monomers over the last 5ns of each simulation and the corresponding distances seen in the X-ray data. While this figure only presents simulations conducted with the TIP3P water model, matrices for all 16 simulations are given in Figure S5 of the Supporting Information.