Fig. 7: Relative movements between the selected subdomains determined by the MD simulation as fluctuations in the distance between the centers of the vectors and the angle they enclose.

a Schematic representation of the selected pairs i) and ii) of subdomains with the corresponding direction vectors (n₁ and n₂), centers of vectors (as centers of mass, CM₁ and CM₂), distances between CMs (d⁽ⁱ⁾ and d⁽ⁱⁱ⁾) and angles (ϕ⁽ⁱ⁾ and ϕ⁽ⁱⁱ⁾) determined. b Angle distribution versus center distance and (c) centers of the data point clouds with standard deviations in the distance and angle of MurD_apo(black), MurD_ATP(magenta), and MurD_inh (green).