Major unfolding pathway for α−tub. (A) The FEC is on the left. The C-term domain unfolds first, indicating that this is the most flexible region of the molecule. Pictures of unraveling conformations at three stages (marked with green circles on the FEC) are shown on the right. Elements that unravel are in diagram representation. The colors are: cyan, C-term domain; yellow, middle domain; orange, N-term domain; red sphere, N-term end; blue sphere, C-term end; magenta, taxol-binding pocket; gray, M-loop; green, T7-loop. The segment (S8,H10,S9) (depicted as a whole in III) opens only at the very end. For clarity, some unfolded parts are not shown. (B) Time-dependent changes in the force (Upper) and [ΔΩ(t)] (Lower). [ΔΩ(t)] indicates changes in structural elements. Ω in the black, red, green, blue, and magenta curves corresponds to WT, H12, C-term domain (both H12,H11) (S1,H2), and (S2,H2,S3), respectively. All of the snapshots were produced with VMD (42).