Table 1.

Dihedral angles of the representative structures for the main cluster of the three representative molecules (10a-c, homochiral, heterochiral, homochiral^*) as obtained from molecular dynamics in DMSO and TIP4Pew Water.

	Homochiral		Heterochiral		Homochiral*
	Φ	Ψ	Φ	Ψ	Φ	Ψ
DMSO
Ala1	−61.9	132.4	−64.3	1.1	−78.8	158.2
V/G4n2	−148.7	−176.8	143.2	−169.5	−146.2	−170.3
F4c4	−58.6	−13.8	72.2	39.2	−58.2	2.8
L/G4n5	−117.6	−148.0	132.9	−163.6	−156.9	−142.0
F4c7	62.3	3.1	75.8	24.8	72.9	24.1
L/G4n8	−168.7	−171.1	142.8	−175.4	154.2	−166.1
V4c10	57.0	3.4	65.0	−13.3	62.1	0.0
WATER
Ala1	−67.0	131.8	−97.4	19.5	−133.1	15.5
V/G4n2	−136.4	−112.8	167.0	−168.5	−130.4	165.5
F4c4	75.7	1.5	64.6	39.4	−67.1	22.5
L/G4n5	−155.0	175.3	131.4	−48.1	172.3	−153.7
F4c7	68.2	−3.8	71.6	37.5	65.0	37.4
L/G4n8	−152.0	−168.6	125.1	168.7	131.5	−153.5
V4c10	51.5	3.9	−51.1	−34.1	83.9	−15.2