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Parameters for the BK restraint potential for T4 lysozyme–phenol system. All distances are in angstroms and all angles are in degrees. The all force constants, kraA, kθA, kθB, kφA, kφB and kφC, are 10.0 kcal/(mol Å2) and 10.0 kcal/(mol rad2), respectively. These parameters are used for six harmonic potentials in Subsection “BK restraint model”.
| State A | State B | |
|---|---|---|
| raA,0 | 4.94 | 6.000 |
| θA,0 | 88.1 | 54.029 |
| θB,0 | 144.1 | 128.413 |
| ϕA,0 | −50.2 | −36.844 |
| ϕB,0 | −47.3 | −52.454 |
| ϕC,0 | 162.3 | −53.823 |
