Identification of reaction organization patterns that naturally cluster enzymatic transformations

BMC Systems Biology

Table 2 Comparison of TS-compound pairs versus RPairs

Cluster ID	Number of total reactions	Number of reactions with only matching pairs	Number of reactions with no matched pairs	Number of reactions with mixed pair matches	Number of RPAIRs in a CTS	Number of matching TS-compound pairs	Number of mismatched TS-compound pairs	Inferior interval 0.025	Superior interval 0.975	Average value of the interval
General	6392	4869	618	905	11,193	8966	2127	0.8006	0.8153	0.8070
CTS-1	1627	960	391	276	3254	2196	1058	0.6587	0.6909	0.6748
CTS-2	1059	1016	43	0	1059	1016	43	0.9467	0.9704	0.9586
CTS-3	1028	926	102	0	1028	926	102	0.8818	0.9183	0.9
CTS-4	897	867	8	22	1794	1756	38	0.9717	0.985	0.9783
CTS-5	439	435	1	3	878	873	5	0.9884	0.9981	0.9933
CTS-6	349	341	0	8	698	690	8	0.9794	0.995	0.9872
CTS-7	150	1	17	132	450	206	244	0.412	0.5039	0.458
CTS-8	143	57	7	79	286	193	93	0.6195	0.7278	0.6737
CTS-9	103	51	3	49	206	151	55	0.6707	0.791	0.7309
CTS-10	97	2	0	95	291	196	95	0.6187	0.7261	0.6724
CTS-11	82	0	0	82	246	163	83	0.6024	0.7203	0.6613
CTS-12	66	58	8	0	66	58	8	0.7906	0.9453	0.868
CTS-13	54	39	7	8	108	86	22	0.7158	0.8664	0.7911
CTS-14	42	21	5	16	84	58	26	0.5882	0.7841	0.6862
CTS-15	29	28	0	1	58	57	1	0.9373	0.9996	0.9684
CTS-16	26	0	0	26	78	29	49	0.2687	0.4812	0.3749
CTS-17	24	0	0	24	72	48	24	0.5545	0.77	0.6623
CTS-18	16	8	0	8	48	37	11	0.6434	0.877	0.7602
CTS-19	14	5	6	3	28	13	15	0.2867	0.6467	0.4667
CTS-20	12	11	1	0	12	11	1	0.7151	0.9977	0.8564
CTS-21	12	4	3	5	24	13	11	0.3449	0.7318	0.5384
CTS-22	10	6	1	3	20	15	5	0.5443	0.9085	0.7264

We compared the numbers of hits and fails of our predicted pairs with RPairs in the KEGG RPAIR dataset. The table presents precision estimations based on the calculated posterior probabilities of each group. The confidence interval and average value are shown in the last 3 columns

ISSN: 1752-0509