. 2017 Feb 9;12(2):e0170934. doi: 10.1371/journal.pone.0170934

Table 2. Calculated changes of ΔΔG and ΔpK_a for the transition from GCaMP3 to GCaMP5A in a model that assumes different sets of chromophore atoms interacting with D380 residue.

	Atoms included in calculation with electric potential of non-zero							Experimental Value^*
	All	CZ to CA3	CE2 to CA3	CD2 to CA3	CG2 to CA3	CB2 to CA3	CA2 to CA3	Experimental Value^*
ΔΔΔG (kJ/mol)	-73.0	-30.8	-42.2	-16.3	-8.5	-13.5	-4.6	--
ΔΔpK_a	-12.8	-5.4	-7.4	-2.9	-1.5	-2.4	-0.79	-0.5 ± 0.03

Each step of included atoms for the sequential calculations in our model (excluded atoms have electric potential equal to zero). Refer to Fig 7 for labelled illustration of the GCaMP chromophore.

*[14]

Table 2. Calculated changes of ΔΔG and ΔpKa for the transition from GCaMP3 to GCaMP5A in a model that assumes different sets of chromophore atoms interacting with D380 residue.

Table 2. Calculated changes of ΔΔG and ΔpK_a for the transition from GCaMP3 to GCaMP5A in a model that assumes different sets of chromophore atoms interacting with D380 residue.