Table 1.

Constraints and parameters utilized to model and simulate the LAPD-model of MHC1-mediated export of high affinity peptides.

S. No.	Name	Parameter	Quantity
1	Range of numerical values utilized for disassociation constants	Kd	[10−6,1.00]
2	Proportion of empirically observed MHC1	$\frac{\left[eM1\beta \right]}{\left[rM1\beta \right]}$	≈5.00
3	Fold difference between low- and high-affinity peptides	$Log\left(\frac{\mathbf{\#}\mathit{L}\mathit{p}}{\mathbf{\#}\mathit{H}\mathit{p}}\right)$	≈5.00
4	Rate limiting step (shunt reaction)	k18	30 − 35 mol L−1 s−1
5	Total number of reactions	RXN	30
	Total number of forward reactions	RXNf	15
	Total number of backward reactions	RXNb	15
6	Index of molecular entity	i	18
7	Number of in silico experiments	j	3
8	Number of independent runs or observations	h	30
9	Number of molecules of an entity per in silico experiment in an independent run or observation	yijh	—
10	Wall time of each independent run or observation	—	600 s
11	Time units	tf	100
12	Degree of freedom	df	28
13	Simulation time to assess temporal variation of molecular entity	t	[60 s,900 s]