Table 4.
mi,i+1/mi=0 | mi,i+1/mi=0.5a | mi,i+1/mi=1 | mi,i+1/mi=10 | SASA based energiesb | |||
---|---|---|---|---|---|---|---|
Desolvation | Conformational | ||||||
ΔGN | 6.86±0.06 | 7.33±0.06 | 7.59±0.06 | 8.35±0.07 | 8.4±0.1 | ||
ΔGR | 6.02±0.05 | 6.50±0.05 | 6.76±0.06 | 7.52±0.07 | 10.9±0.1 | ||
ΔGC | 8.52±0.06 | 9.00±0.07 | 9.27±0.07 | 10.05±0.11 | 10.7±0.1 | ||
ΔGi,i+1 | −10.66±0.11 | −11.28±0.10 | −11.64±0.11 | −12.65±0.12 | −12.1±0.1 | ||
ΔSi | −41.6±4.9 | −41.0±5.2 | −40.2±5.4 | −38.8±5.9 | 54±0.6 | −121±0.3 | |
ΔSi,i+1 | 56.0±7.1 | 55.1±7.4 | 53.9±7.7 | 51.9±8.4 | 125±0.6 | −67±0.3 | |
ΔCp;i | −51±71 | 23±73 | 60±82 | 191±95 | −113±5.6 | ||
ΔCp;i,i+1 | −330±102 | −420±104 | −470±117 | −640±135 | −379±5.6 | ||
mi | 1.01±0.01 | 0.73±0.01 | 0.57±0.00 | 0.12±0.00 | NA | ||
|
2.1±0.5 | 1.6±0.3 | 1.3±0.3 | 0.3±0.1 | NA | ||
|
−50±8 | −38±6 | −30±5 | −6±1 | NA | ||
I2 | 8.11×10−5 | 8.75×10−5 | 9.31×10−5 | 11.70×10−5 | NA |
Free energies are in kcal•mol−1; entropies and heat capacities are in cal•mol−1•K−1; m-values are in kcal•mol−1•M−1; and are in cal•mol−1•M−1•K. In each column, the mi,i+1/mi ratio has been fixed to the indicated value to better constrain the fit. Confidence intervals are the results of 5,000 iterations of bootstrap analysis as described in Table 4. For population plots based on fitted parameters, see Figure S4.