Comparative modelling by restraint-based conformational sampling

BMC Structural Biology

Table 2 Fifteen Different Combinations of Templates Used in Exploring the Effect of PID.

Combination	Template 1	Template 2	Template 3	Template 4
1	✓
2		✓
3			✓
4				✓
5	✓	✓
6	✓		✓
7	✓			✓
8	·	✓	✓
9			✓	✓
10		✓		✓
11	✓	✓	✓
12		✓	✓	✓
13	✓		✓	✓
14	✓		✓	✓
15	✓	✓	✓	✓

To explore the effect of the number and diversity of templates on RAPPER building using the Standard mode of conformer generation, fifteen combinations as shown in the table where used. Template 1 was closest by PID to the target with Template 4 the most remote.

ISSN: 1472-6807

Combination	Template 1	Template 2	Template 3	Template 4
1	✓
2		✓
3			✓
4				✓
5	✓	✓
6	✓		✓
7	✓			✓
8	·	✓	✓
9			✓	✓
10		✓		✓
11	✓	✓	✓
12		✓	✓	✓
13	✓		✓	✓
14	✓		✓	✓
15	✓	✓	✓	✓

Combination	Template 1	Template 2	Template 3	Template 4
1	✓
2		✓
3			✓
4				✓
5	✓	✓
6	✓		✓
7	✓			✓
8	·	✓	✓
9			✓	✓
10		✓		✓
11	✓	✓	✓
12		✓	✓	✓
13	✓		✓	✓
14	✓		✓	✓
15	✓	✓	✓	✓

Combination	Template 1	Template 2	Template 3	Template 4
1	✓
2		✓
3			✓
4				✓
5	✓	✓
6	✓		✓
7	✓			✓
8	·	✓	✓
9			✓	✓
10		✓		✓
11	✓	✓	✓
12		✓	✓	✓
13	✓		✓	✓
14	✓		✓	✓
15	✓	✓	✓	✓