TABLE I.
Simulation conditions for the molecular dynamics study of hLtn
| Statea | Number of Cl− ions | Number of Na+ ions | Average Box Length (Å) | Comments |
|---|---|---|---|---|
| s10 | 7 | 0 | 61.4 | Stable Chemokine-fold Condition |
| n45 | 7 | 0 | 62.0 | Non-chemokine Conformation Condition |
| n10 | 32 | 25 | 62.0 | Perturbationb of Salt Concentration Only |
| s45 | 32 | 25 | 62.6 | Perturbationb of Temperature Only |
a
The notations are: `n' for [NaCl]=0 mM, `s' for [NaCl]=200 mM, `10' for T=10 °C and `45' for T=45 °C.
b
Relative to the stable chemokine-fold condition