TABLE 2.

Estimated model parameters

Sensitivity coefficients are computed according to Equation 33. Rate constants k₆₄, k_21m and k_12f are deducted from other rate and dissociation constants (cf. Equations 25 and 26 for thermodynamic constraints).

Adjustable parameter	Optimum estimated value p	lp ± σlp (lp = log10p)	Mean of the optima (10lp)	Sensitivity coefficient	Unit
Keq	3.5006	0.5473 ± 0.0069	3.5266	9.0674
k12m0	0	0	0	Not identified	m−1 s−1
k460	1.91 × 106	6.3714 ± 0.1535	2.53 × 106	2.1041	m−1 s−1
k450	4.46 × 105	5.7131 ± 0.1382	5.45 × 105	1.2590	m−1 s−1
k540	54.12	1.7547 ± 0.0776	57.80	2.7144	s−1
k21f0	5.82 × 104	4.6638 ± 0.5725	9.99 × 104	0.2963	s−1
K260	8.28 × 10−8	−7.0108 ± 1.1345	1.07 × 10−6	0.0163	m
K250	1.81 × 10−10	−9.6854 ± 0.5363	3.91 × 10−10	0.2705	m
K14m0	0	0	0	Not identified	m
K14f0	7.69 × 10−9	−8.4373 ± 0.7186	1.19 × 10−8	0.1426	m
Ka,f	31.5 × 10−3	−1.4961 ± 0.0497	32.1 × 10−3	0.1446	m
Ka,p	0.58 × 10−3	−3.2342 ± 0.0552	0.59 × 10−3	0.2773	m
Ki,p(lf)0	14.3 × 10−3	−2.2401 ± 0.6673	15.1 × 10−3	0.0837	m
Ki,p(4)0	41.7 × 10−3	−1.2348 ± 0.6109	165.0 × 10−3	0.0320	m
Ki,f(lf)0	4.0 × 10−3	−2.3149 ± 0.7273	20.3 × 10−3	0.0452	m
Ki,f(4)0	90.7 × 10−3	−1.1176 ± 0.8287	272.1 × 10−3	0.0146	m