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. Author manuscript; available in PMC: 2022 Jul 15.

Published in final edited form as: J Phys Chem B. 2021 Jul 2;125(27):7388–7396. doi: 10.1021/acs.jpcb.1c03844

Table 2.

Average distance between cTnC 56/59/63 and cTnI 145. All averages and standard deviations are calculated over all trials performed for each system.

cTnC Residue	Metric	Model
cTnC Residue	Metric	Native	R141Q	L144P	L144Q	R145G	R145Q	R145W
E56	Avg. Distance (Å)	15.7 ± 3.2	15.2 ± 4.5	12.7 ± 4.0	17.2 ± 1.6	21.1 ± 4.9	16.7 ± 1.3	17.7 ± 5.1
E59	Avg. Distance (Å)	19.4 ± 3.7	18.4 ± 4.5	16.8 ± 4.7	21.4 ± 1.6	23.6 ± 5.6	21.3 ± 1.4	21.6 ± 4.8
E63	Avg. Distance (Å)	24.5 ± 3.3	24.1 ± 4.5	22.3 ± 4.5	26.5 ± 1.3	27.0 ± 6.8	25.5 ± 1.5	25.5 ± 3.3