Table 1.

Simulation, energetic and kinetic parameters for Gag interactions

	Parameter name	Description	Value
Simulation parameter	$\Delta t$	time step	$0.1,0.5\mu \mathrm{s}$
	box size	the size of the simulation system	${405}^3,{510}^3\mathrm{n}{\mathrm{m}}^3$
Diffusion coefficients	$D_t$	molecule’s translational diffusion constant	$10,50{\mu \mathrm{m}}^2/\mathrm{s}$
	$D_r$	molecule’s rotational diffusion constant	$0.01,0.02,0.05\mathrm{r}\mathrm{a}{\mathrm{d}}^2/\mu \mathrm{s}$
Binding parameters	dimeric $k_{\mathrm{a},\dim }$	3D microscopic association rate	$0.06,0.6,6{\mu \mathrm{M}}^{-1}{\mathrm{s}}^{-1}$
	hexameric $k_{\mathrm{a},\mathrm{h}\mathrm{e}\mathrm{x}}$		$0.006,0.06,0.6,6,12,60\mu {\mathrm{M}}^{-1}{\mathrm{s}}^{-1}$
	trimeric $k_{\mathrm{a},\mathrm{t}\mathrm{r}\mathrm{i}\mathrm{m}}$		${0,6.02\times 10}^{-5}{\mu \mathrm{M}}^{-1}{\mathrm{s}}^{-1}$
	dimeric $k_{\mathrm{b},\dim }$	microscopic dissociation rate	$1{\mathrm{s}}^{-1}$
	hexameric $k_{\mathrm{b},\mathrm{h}\mathrm{e}\mathrm{x}}$		${10,20,100,10}^3{,{10}^4\mathrm{s}}^{-1}$
	trimeric $k_{\mathrm{b},\mathrm{t}\mathrm{r}\mathrm{i}\mathrm{m}}$		${1,1000\mathrm{s}}^{-1}$
	dimeric $\Delta G_{\dim }$	Gibbs free energy $\Delta G$	−11.0, −13.3, −15.6 $k_{\mathrm{B}}T$
	hexameric $\Delta G_{\mathrm{h}\mathrm{e}\mathrm{x}}$		−1.8, −4.1, −6.4, −8.7, −11.0, −13.3, −15.6 $k_{\mathrm{B}}T$
	trimeric $\Delta G_{\mathrm{t}\mathrm{r}\mathrm{i}\mathrm{m}}$		0, −4.1 $k_{\mathrm{B}}T$
	scaleMaxDisplace	association events that result in shifts of binding sites on either component larger than scaleMaxDisplace $\times \sqrt{6D_{tot}\Delta t}$ are rejecteda	$30$
Titration rate	$k_{\mathrm{c}}$	molecule creation (titration) rate	$0.06,0.3,1,60\mu \mathrm{M}/\mathrm{s}$

^a$D_{\mathrm{t}\mathrm{o}\mathrm{t}}$ captures effective diffusion coefficient due to translational and rotational diffusion.