Table S1.
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) | ||
Kilocalories per mole | 1.5 | |
10,000 | ||
xf | Nanometers | 14 |
Powerstroke (backward) | ||
Kilocalories per mole | 4.5, 5.5, 6.5, 7.5 | |
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 |