Table VIII.

Binding Energies of Q_A and Atrazine in Combined Mutants of D1 and D2

Eapo	EQA	EATZ	Ecomplex	Ebind	Combined mutants (D1 and D2)
11,426.4	40.2	3.6	11,421.0	−49.2	Wild type
11,438.7	40.2	3.6	11,414.4	−68.1	L218Q and N250E
11,442.3	40.2	3.6	11,418.9	−67.2	L218T and N250E
11,424.4	40.2	3.6	11,401.5	−66.7	F274N and N250E
11,457.3	40.2	3.6	11,435.3	−65.8	L275F and N250E
11,435.4	40.2	3.6	11,414.3	−64.9	F255C and N250E
11,425.7	40.2	3.6	11,405.2	−64.3	F274H and N250E
11,421.9	40.2	3.6	11,402.4	−63.3	F274D and M246K
11,442.5	40.2	3.6	11,423.3	−63.0	I248W and M246K

All energy values are in kcal/mol.

E_apo, energy of apo protein; E_QA, energy of plastoquinone A; E_ATZ, energy of atrazine; E_complex, energy of complex; E_bind, binding energy.