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. Author manuscript; available in PMC: 2015 Sep 22.
Published in final edited form as: J Phys Chem B. 2009 Mar 19;113(11):3565–3571. doi: 10.1021/jp809810z

Table 2. Average values of entropy change TΔS from covariance matrix method.

TΔS
Bak-Bcl-xL c-l-r -29.5 (0.9)
HBS 2a-Bcl-xLc-l-r -109.1 (0.9)
HBS 2b-Bcl-xLc-l-r -42.0 (0.8)
Bak in Bak-Bcl-xL b-f -32.7 (0.6)
Bcl-xL in Bak-Bcl-xL b-f 4.5 (1.3)
HBS helix 2a in Bak-Bcl-xL b-f -60.66 (0.21)
Bcl-xL in Bak-Bcl-xL b-f -55.98 (1.45)
HBS helix 2b in Bak-Bcl-xL b-f -38.33 (0.49)
Bcl-xL in Bak-Bcl-xL b-f -9.40 (0.42)

(c: complex; l: ligand; r: receptor; b: bound state; f: free state all the units are kcal/mol, numbers in parentheses are standard deviations, all the values are averaged from the entropy values of last 2 ns of all trajectories)