TABLE 1.

Summary of peptide macrocycle backbone conformations found for symmetries explored

Symmetry type a	Size (residues)	Max. bin strings possible	Bin strings observed	Conformational clusters observed b
C2	6	24	8	3
	8	70	13	6
	10	208	57	25
	12	700	15	16
	14	2,344	108	96
	16	8,230	1,122	898
	18	29,144	2,171	1,770
	20	104,968	2,585	2,108
C3	6	10	1	1
	9	24	4	2
	12	70	3	3
	15	208	4	4
	18	700	3	3
	21	2,344	14	11
	24	8,230	20	19
S2	6	12	1	1
	8	32	2	1
	10	104	9	6
	12	344	4	4
	14	1,172	173	85
	16	4,096	294	162
	18	14,572	469	303
	20	52,432	707	464
S4	8	4	2	1
	12	12	1	1
	16	32	7	7
	20	104	22	19
	24	344	18	17
	28	1,172	27	22
	32	4,096	13	12

^a Only symmetry types that were synthesized are listed here. For full analysis of other symmetry types (e.g., C4, C5), please see Data S1.

^b Results of clustering with a radius of 1.5 Å are reported. For full clustering analysis, please refer to Data S1.