Fig. 2.

(A) The starting structure of the acto-S1 complex as described in the text, embedded in the EM map. (B) The converged acto-S1 complex after 1-ns MD run in MDFF. It can be seen that the upper 50-K domain closes. Both pictures show the main S1-binding actin monomer as surface representation in dark green, and S1 is shown as a ribbon. Only the motor domain and the beginning of the lever arm are shown—color code as in Fig. 1B. The orientation is looking along the helix axis from the + end of decorated actin. Pictures generated with Chimera (11).