Table 1.

Coarse-grained comparison of subunit geometries reveals two main differences between cofilactin and bare actin: the actin subunit dihedral angle and the orientation of the R1-R2 vector relative to the filament axis.

	Parameters	Actin Initial	Cofilactin Initial	Actin Equilibrated	Cofilactin Equilibrated
Bond (Å)	R1-R2*	22.82	23.03	22.99±0.39	23.36±0.45
	R1-R3	24.72	24.34	24.85±0.28	24.81±0.22
	R3-R4	24.99	24.73	24.97±0.28	24.89±0.27
Angle (°)	R1-R3-R4	74.22	71.55	74.42±1.96	73.21±1.34
	R2-R1-R3	103.09	100.61	102.06±2.06	97.82±3.12
Dihedral (°)	R2-R1-R3-R4	11.21	26.74	10.27±3.41	25.73±3.71
Angle (°)	R1-R2 vs. TA'	22.12	38.04	24.29±2.49	40.49±4.55
	R1-R3 vs. TA'	116.79	114.37	117.57±1.56	119.51±3.51
	R3-R4 vs. TA'	11.6	11.4	15.07±1.63	16.07±3.38

^*Residue sets

R1: 5–33, 80–147, 334–349; R2: 34–39, 52–59;

R3: 148–179, 273–333; R4: 180–219, 252–262.

TA': filament axis