Table 2.

LIE binding free energy (kcal·mol⁻¹) and its components for 1 at potential binding sites in the CTD.

Binding site	van der Waals contribution	Electrostatic contribution	ΔGpred (kcal·mol−1)
Site 1	−21.5 ± 3.8	−145.9 ± 8.3	−5.3 ± 0.6
Site 2	−16.9 ± 3.2	−72.5 ± 4.7	−2.0 ± 0.7
Site 3	NC a	NC	NC
Clathrin-box site	−18.6 ± 2.9	−103.5 ± 4.5	−3.6 ± 0.4

^a NC = Not calculated.