Table 2.

MM/PBSA results for the WT and mutant N-cTnC/TnI_SW interaction shown as averages ± S.D.

	Van der Waals	Electrostatic	Polar	sasa	Total
A8V	−3.0E2 ± 3.5E1	−1.7E3 ± 2.8E2	8.1E2 ± 2.3E2	−3.9E1 ± 3.2E0	−1.3E3 ± 1.2E2
L29Q	−3.2E2 ± 4.1E1	−2.0E3 ± 2.8E2	1.0E3 ± 2.7E2	−4.1E1 ± 4.7E0	−1.3E3 ± 6.3E1
A31S	−3.0E2 ± 6.4E1	−1.7E3 ± 2.9E2	1.1E3 ± 2.0E2	−3.9E1 ± 7.7E0	−9.6E2 ± 2.2E2
L48Q	−3.1E2 ± 5.2E1	−1.9E3 ± 2.6E2	1.0E3 ± 2.1E2	−4.0E1 ± 4.5E0	−1.3E3 ± 6.7E1
Q50R	−3.1E2 ± 2.7E1	−2.0E3 ± 1.8E2	1.1E3 ± 2.0E2	−4.1E1 ± 3.0E0	−1.2E3 ± 5.4E1
C84Y	−3.2E2 ± 3.9E1	−1.7E3 ± 2.2E2	8.4E2 ± 1.9E2	−4.0E1 ± 4.3E0	−1.2E3 ± 8.1E1
WT	−3.2E2 ± 2.6E1	−1.9E3 ± 2.8E2	1.0E3 ± 3.2E2	−4.1E1 ± 3.1E0	−1.2E3 ± 1.4E2