Table 5.

Remaining structures based on the number of fulfilled distance constraints (disulfide bonds and cross-links, see Table 3). Compactness (according to Table 6) was used as an additional criterion to validate the obtained structures, which fulfill all cross-linking constraints.

Protein	Modeling Parameters criterion I-III					Number of fulfilled distance constraints criterion IV and V
	sequence-sequence alignments	Non-redundant alignments	Criterion I Modeled loops	Criterion II Similarity to Template and energy cut-off	Criterion III Compactness	1	2	3	4	5	6	7
Ges. β1	730,800	5,371	4,333	506		506	506	501	472	288	54	3
1CZT	52,200	499	296	43	41	43	43	43	43	28	8	0
1D7P	52,200	364	313	84	83	84	84	84	81	52	10	3
1EUT	52,200	317	294	14	7	14	14	14	13	8	1	0
1GOF	52,200	1017	799	48	10	48	44	48	47	27	7	0
1GQP	52,200	241	241	84	45	84	84	84	79	43	0	0
1GUI	52,200	344	344	44	44	44	44	44	44	42	8	0
1JHJ	52,200	300	283	25	6	25	25	25	24	13	2	0
1K12	52,200	261	201	25	24	25	25	25	24	15	3	0
1K3I	52,200	727	591	35	10	35	35	35	34	17	5	0
1KEX	52,200	177	141	16	16	16	16	16	16	11	0	0
1SDD	52,200	614	372	59	3	59	59	55	40	12	2	0
1TVG	52,200	193	184	16	16	16	16	16	16	3	0	0
1XPW	52,200	193	192	12	10	12	12	12	12	12	6	0
Ges. γ1	730,800	9,830	7,306	1,349		1,349	1,334	1,159	387	12
1CZT	52,200	695	370	150	145	150	150	144	53	3
1D7P	52,200	616	507	146	142	146	146	132	31	1
1EUT	52,200	509	432	54	34	54	54	31	14	0
1GOF	52,200	811	657	57	30	57	56	37	11	0
1GQP	52,200	354	285	180	170	180	80	142	71	1
1GUI	52,200	409	319	103	102	103	103	96	26	1
1JHJ	52,200	797	776	48	18	48	48	47	8	0
1K12	52,200	572	385	171	171	171	171	168	12	1
1K3I	52,200	704	438	52	27	52	52	39	10	0
1KEX	52,200	180	118	57	56	57	57	56	38	5
1SDD	52,200	2896	1947	208	57	208	208	147	42	(1)*
1TVG	52,200	485	374	30	29	30	30	28	20	0
1XNA	52,200	348	263	8	8	8	8	8	5	0
1XPW	52,200	454	435	30	22	30	30	29	17	0

^*Structure did not fulfill the compactness criterion.