Table 3.

Interaction energy of -SH group or disulfide group with neighboring monomers. For example, A indicates the interaction energy of SH or --S-S--group in monomer A with neighboring monomers in the barrel, B and H. Similarly, B indicates the interaction energy of SH or --S-S--group in monomer B with neighboring monomers A and C, and so on.

	A	B	C	D	E	F	G	H
w/o disulfide bonds
Interaction energy	−4.68	−11.77	−5.59	−6.35	−3.96	−11.56	−4.65	−9.85
STD. DEV	2.00	3.43	2.00	2.50	1.15	3.14	2.03	3.87
with disulfide bonds
Interaction energy	−3.40	−8.86	−4.72	−4.47	−4.63	−10.08	−3.45	−9.06
STD. DEV	1.17	2.74	2.22	1.49	1.31	3.63	1.22	2.67