Advances in Bioinformatics

Research Article

Predicting Flavonoid UGT Regioselectivity

Table 2

Top Loop-Index-Specific 3NN 3-O Results.


Indices	Missed by bdg	Missed by be	Missed by d

12345	2, 16, 20	5, 18	2, 5*, 20
2345	2, 5*, 16, 20	5, 7, 16, 18	2, 5*, 20
1345	2, 16, 20	5, 9, 14, 18	2, 5*, 20
1245	2, 5, 16, 20, 23	5, 18	2, 5*, 20
1235	2, 16, 20	5, 18	2, 5*, 20
1234	2, 16, 20	5, 18	2, 5*, 20
345	2, 16, 20	5, 18	2, 5*, 20
245	2, 5, 16, 20, 23	5, 7, 16, 18	2, 5*, 20
235	2, 16, 20	5, 18	2, 5*, 20
234	2, 16, 20	5, 7, 16, 18	2, 5*, 20
145	2, 5, 16, 20, 23	5, 9, 14, 17, 18	2, 5, 10, 15*, 16, 20
135	2, 16, 20	5, 9, 14, 18	2, 5*, 20
134	2, 16, 18*, 20	5, 9, 14, 18	2, 5*, 20
125	2, 5, 16, 20, 23	5, 17, 18	2, 5*, 20
124	2, 5, 16, 20, 23	5, 18	2, 5*, 20
123	2, 16, 20	5, 18	2, 5*, 20
45	2, 5, 20, 23	7, 18*	2, 5*, 20
35	2, 16, 18*, 20	5, 9, 18*	2, 5, 18, 20
34	2, 9*, 16, 20	5, 7, 9, 14, 18*	2, 5*, 20
25	2, 5*, 20	7, 18*	2, 5, 20, 23
24	2, 5, 9, 16, 20, 23*	5, 7, 16, 18	2, 5*, 20
23	2, 16, 20	5,18	2,5*, 20
15	2, 16, 20, 23*	5, 9, 14, 17, 18, 23	2, 5, 21
14	2, 5, 16, 20, 23	5, 7, 9, 14, 17, 18*	2, 5*, 20
13	2, 16, 20	5, 7, 9, 10, 14, 17, 18	2, 5*, 20
12	2, 5, 16, 20, 23	5*, 18	2, 5*, 20
5	2, 5, 18, 21*	9, 17, 18, 23*	2,9, 18, 21*, 23
4	2, 5, 9, 14, 16, 18, 20, 23	7, 14*, 16, 20	2, 5*, 20
3	2, 9, 14, 16, 18*, 20	5, 9, 14, 18, 23*	2, 5, 18, 20
2	2, 5*, 20	5, 7, 15, 16, 18*	2, 5*, 20
1	2, 11, 16, 20, 23	5, 9, 11, 12, 14, 18, 19*	2, 5*, 20