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. 2016 Sep 22;11(9):e0162031. doi: 10.1371/journal.pone.0162031

Table 8. A comparison of the estimated stretching and bending constants for the reduced state of the 4-Cys-[2Fe-2S] and Rieske structures, based on calculated normal modes.

Force constant (reduced)
4-Cys-[2Fe-2S] Rieske
Mode [mdyne/Å] [kcal/molÅ2] [mdyne/Å] [kcal/molÅ2]
K(Fe-S(b)):His 1.353 195. 0.949 137.
K(Fe-S(b)):Cys 1.353 195. 0.874 126.
K(Fe-S(t)) 0.587 84. 1.169 168.
K(Fe-N(t)) - - 0.411 59.
H(Fe-S(b)-Fe) 0.303 44. 0.373 54.
H(S(b)-Fe-S(b)) 0.410 59. 0.373 54.
H(S(b)-Fe-S(t)) 0.460 66. 0.335 48.
H(S(t)-Fe-S(t)) 0.460 66. 0.335 48.
H(S(b)-Fe-N(t)) - - 0.401 58.
H(N(t)-Fe-N(t)) - - 0.401 58.
K(Fe-Fe) 0.164 24. 0.246 35.

The notation K and H indicate stretching and bending, respectively.