TABLE 1.

Entropy Changes upon Complex Formation

		nSH3:PRMcAbl	nSH3:PRMNS1A	nSH3:PRMNS1B
Backbone	nSH3	−1.80 ± 0.215	−2.38 ± 0.204	−4.47 ± 0.184
	PRM	−8.99 ± 0.041	−6.74 ± 0.057	−7.43 ± 0.088
Side chain	nSH3	−3.83 ± 0.187	−9.13 ± 0.171	−9.82 ± 0.202
	PRM	−3.75 ± 0.114	−7.44 ± 0.161	−8.83 ± 0.154
Net Change		−28.64 ± 0.336	−36.56 ± 0.310	−38.99 ± 0.317

Numbers are in units of cal/(mol$\cdot$K). MIST3 was used. Because correlations among DOFs are more extensive in the complex, the net change in entropy (bottom row) is greater in magnitude than the sum of backbone and side-chain entropy changes. Dependence of the calculated entropy on the bin size Δ is in Fig. S8, which has little impact on relative magnitudes of different entropy terms.