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. 2017 Feb 13;114(9):2259–2264. doi: 10.1073/pnas.1700318114

Table S1.

Parameters used for the LD simulation

Parameter type Unit Parameter value
Actin positions
xA,i, i = 20 Nanometers 0,36,72,…
Actin-binding potential
Aa Kilocalories per mole −4.0
Wa 1,000
ATP-binding potential
AATP Kilocalories per mole 2.0
WATP 1,000
Phosphate release potential
Ap Kilocalories per mole −12.0
Wp 10,000
Powerstroke (forward)
APSf Kilocalories per mole 1.5
WPSf 10,000
xf Nanometers 14
Powerstroke (backward)
APSb Kilocalories per mole 4.5, 5.5, 6.5, 7.5
WPSb 10,000
Xb,n, n = 3 Nanometers 15, 30, 45
Bond
xbond Nanometers 3.0
Kbond Kilocalories per mole per (Å)2 3.0
Angle
θangle Degrees 171.8
Kangle Kilocalories per mole per (rad)2 30.0
Joint angle
θjoint Degrees 91.6
Kjoint Kilocalories per mole per (rad)2 1.5
Nonbonded steric interaction
anb Kilocalories per mole 200.0
bnb 0.05
rnb Nanometers 5.0
Effective LD friction 1,000
Effective LD mass 100
LD temperature Kelvin 300
Time step Picoseconds 2