Table 2.

Unit cell dimensions and angles for the peptides in this study

Sequence	Unit cell length (Å)			Unit cell angle (°)			M.F.	#P	#W
	a	b	c	α	β	γ
NNQQNY	21.153	4.87	23.13	90	102.93	90	$2\times 8\times 2$	64	448
GNNQQNY	21.937	4.866	23.477	90	107.08	90	$2\times 8\times 2$	64	448
NNQQ (1)	4.854	16.014	15.546	90	96.91	90	$8\times 2\times 4$	128	0
NNQQ (2)	15.479	4.915	30.552	90	90	90	$4\times 8\times 2$	256	0
MVGGVV (1)	15.148	9.576	23.732	90	96.9	90	$4\times 4\times 2$	128	0
MVGGVV (2)	25.862	9.699	15.851	77.18	74.69	86.93	$2\times 4\times 4$	128	192
VQIVYK	4.863	61.926	15.413	90	98.11	90	$8\times 1\times 2$	128	448
GGVVIA	16.76	41.134	4.789	90	90	90	$2\times 1\times 8$	64	192
LYQLEN	9.666	28.003	17.346	90	96.24	90	$4\times 2\times 4$	128	384
VEALYL	18.425	9.613	21.975	90.88	96.12	100.93	$2\times 4\times 2$	64	64
NNFGAIL	26.19	4.897	31.38	90	90	90	$2\times 8\times 2$	128	128
SSTNVG	16.59	4.789	40.229	90	90	90	$2\times 8\times 1$	64	192

Multiplication factors (M.F.) indicate how many unit cells were stacked to build a simulation box. Total number of peptides (#P) and waters (#W)