File S1 - Optimization of an Elastic Network Augmented Coarse Grained Model to Study CCMV Capsid Deformation

Supplementary material regarding the structure of the capsomers and dimers on the different symmetry inequivalent sites of the CCMV capsid is shown. In addition, further technical details of the setup and parameters of the IDEN elastic network and the convergence of the iterative optimization of the strength of the IDEN elastic bonds are presented. Furthermore, to better characterize the relative orientations between the two capsomers in the atomistic and CG simulations of the free dimers and the dimers in the POD+CC complex, the spread in the relative orientation maps (ROMs) is analyzed quantitatively. (PDF)