Table 3.

Protein-CP complexes overall binding free energy (ΔG_bind) in kJ.mol-1 as determined by g_mmpbsa tool.

	Compound
Protein	CPA	CPB	CPC	CPD	CPE	CPF	CPG	CPH	CPI
FP-2	−84.9±0.2	−71.8±0.3	−80.8±0.2	−91.1±2.7	−93.1±0.2	−80.5±0.2	−131.5±0.2	−103.4±0.2	−99.6±0.2
FP-3	−77.0±0.2	−67.1±0.2	−66.7±0.2	−74.2±0.2	−74.7±0.2	−102.8±0.4	−87.6±0.2	−111.7±0.2	−105.7±0.3
VP-2	−95.0±0.2	−78.7±0.2	−60.6±0.2	−85.8±0.2	−72.4±0.6	−77.7±0.3	−116.2±0.3	−81.8±0.2	−93.0±0.2
VP-3	−112.4±0.2	−72.6±0.2	−59.0±0.5	−98.6±0.3	−55.0±0.2	−62.1±0.3	−104.8±0.2	−93.7±0.2	−85.7±0.2
PK-2	−115.5±0.3	−68.8±0.3	−68.8±0.4	−92.8±0.3	−99.0±0.2	−85.7±0.3	−129.2±0.2	−61.9±0.3	−86.8±0.2
PK-3	−80.3±0.4	−63.0±0.2	−81.7±0.3	−82.1±0.2	−80.4±0.2	−80.9±0.2	−68.5±0.3	−76.2±0.3	−80.9±0.3
BP-2	−92.9±0.2	−92.1±0.4	−82.8±0.4	−133.3±0.5	−80.5±0.5	−85.0±0.3	−135.4±0.4	−131.7±0.3	−94.9±0.3
CP-2	−73.0±0.2	−85.4±0.2	−71.9±0.1	−108.3±0.3	−122.6±0.3	−83.7±0.3	−103.9±0.4	−103.4±0.3	−98.1±0.3
YP-2	−91.6±0.3	−67.0±0.3	−82.1±0.2	−103.0±0.2	−114.6±0.3	−89.1±0.3	−92.3±0.2	−104.8±0.2	−97.8±0.3
Cat S	−97.7±0.2	−72.2±0.2	−83.9±0.3	−85.8±0.3	−85.6±0.2	−84.9±0.3	−93.8±0.3	−98.2±0.3	−81.8±0.3
Cat K	−86.4±0.3	−91.3±0.2	−93.6±0.2	−90.8±0.3	−104.1±0.2	−76.6±0.3	−96.3±0.3	−80.0±0.2	−81.8±0.2
Cat L	−132.4±0.3	−99.2±0.2	−44.7±0.5	−129.2±0.3	−117.5±0.2	−111.8±0.3	−117.3±0.3	−149.7±0.3	−147.6±0.2