. 2014 May 22;19(5):6609–6622. doi: 10.3390/molecules19056609

Table 1.

Calculated CDocker energies from the final step for the flexible docking protocol of 1 into potential binding sites 1, site 2, site 3 and the clathrin-box site of the CTD.

Potential complex	Flexible residues ^a	CDocker energy (kcal·mol⁻¹)
Site 1	Asn175-Gly179, Arg221-Gln23, Phe252-Phe260	−20.6
Site 2	Val253-Leu357, Gln203-Glu207, Gln268-Asp271	−17.8
Site 3	Met141-Ser146, Gln182-Tyr184, Lys189-Ser191	−13.7
Clathrin-box site	Ile52, Ile62-Ser67, Ile93-Ser97	−18.2

^a Residues that were rendered flexible during the docking calculations.