Figure 2.

Conformational analysis of Ca²⁺-unbound form of Syt1 (A) Conformational states of Syt1 obtained by MC sampling, including their topologies (left) and energies (right). Energies are plotted in relation to the state obtained by crystallography (state 0, E = 0 kcal/mol). (B) MD trajectories started from MC states 1, 2, 3 (colors of the trajectories match initial states shown in A). Initial and final conformations are shown on the right (0 and 3.3 μs). (C) The same trajectories as in (B) presented in the conformational space defined by interdomain rotation and bending. To see this figure in color, go online.