Figure 2.

Comparison between calculated transition pathways and crystal structures of NS3hel using two reaction coordinates (RC₁₂ and RC₁₃). The calculated pathways are obtained using the following methods: iENM (solid lines), mixed-ENM server (dashed line), Morph server (dot-dashed line), and MinActionPath server (dotted line). The crystal structures are shown as points (PDB and chain ids: 1a1vA, 1cu1A, 1cu1B, 1heiA, 1heiB, 3o8bA, 3o8bB, 3o8rA, 3o8rB, 3o8dA, 3o8dB, 3o8cA, 3o8cB, 3kquA, 3kquB, 3kquC, 3kquD, 3kquE, 3kquF, 3kqlA, 3kqlB, 3kqkA, 3kqkB, 3kqnA, 3kqhA, 3kqhB, 4a92A, and 4a92B). The following three pathways are calculated by iENM: 3kqk→3kql (thick solid line), 3kqk→3kqu (thin solid line), 3kqu→3kql (thin solid line).