Fig 3. Structures obtained from geometric simulations of flexible motion biased along different normal mode directions (mode 7+8 in red–see text, mode 8 in blue) and MD simulations (light green) that are most similar to (A) the asymmetric structure (gray; PDB ID: 1XMM) and (B) the chain-swapped asymmetric structure (gray).

C) Cα RMSDs to the symmetric (1XML) and asymmetric (1XMM) crystal structures for every 100^th frame of the flexible motion simulations along mode 8 (blue) and mode 8+7 (red).