|
AMW Energy Function
|
|---|
| |
Native PDB Id
|
Ω
PF
reduction
|
Minimum lRMSD (Å)
|
| | |
(
r
=
|
Ω
PF
|/|
Ω
|
)
|
Ω
|
Ω
TE
(
r
)
|
Ω
PF
|
Ω
TE
(5%)
|
Ω
TE
(10%)
|
Ω
PC
(5%)
|
Ω
PC
(10%)
|
|
1
|
1dtdB
|
4%
|
7.2
|
7.9
|
7.7
|
7.9
|
7.7
|
7.7
|
7.7
|
|
2
|
1isuA
|
7%
|
6.0
|
6.2
|
6.5
|
6.4
|
6.2
|
6.2
|
6.2
|
|
3
|
1c8cA
|
4%
|
7.4
|
7.5
|
7.5
|
7.5
|
7.5
|
7.5
|
7.5
|
|
4
|
1sap
|
2%
|
6.5
|
7.6
|
7.5
|
7.4
|
7.2
|
7.4
|
7.2
|
|
5
|
1hz6A
|
2%
|
5.9
|
6.7
|
6.3
|
6.7
|
6.7
|
6.7
|
6.6
|
|
6
|
1wapA
|
2%
|
7.7
|
8.7
|
8.7
|
8.7
|
8.7
|
8.7
|
8.7
|
|
7
|
1fwp
|
7%
|
6.4
|
8.1
|
7.3
|
8.1
|
8.1
|
8.1
|
8.1
|
|
8
|
1ail
|
2%
|
3.4
|
6.8
|
5.9
|
5.8
|
4.2
|
4.7
|
4.4
|
|
9
|
1aoy
|
6%
|
5.7
|
6.9
|
6.6
|
6.9
|
6.5
|
6.8
|
6.5
|
|
10
|
1cc5
|
7%
|
5.6
|
8.6
|
7.0
|
8.7
|
8.6
|
8.6
|
8.1
|
|
11
|
2ezk
|
3%
|
4.4
|
8.0
|
7.3
|
7.7
|
7.1
|
7.2
|
7.1
|
|
12
|
1hhp
|
1%
|
10.7
|
12.0
|
12.0
|
11.6
|
11.6
|
11.6
|
10.8
|
|
13
|
2hg6
|
6%
|
8.6
|
10.8
|
10.5
|
11.6
|
10.8
|
10.9
|
10.8
|
|
14
|
3gwl
|
5%
|
4.2
|
4.7
|
5.2
|
4.7
|
4.7
|
4.7
|
4.7
|
|
15
|
2h5nD
|
7%
|
7.9
|
10.7
|
10.0
|
10.8
|
10.4
|
10.4
|
10.4
|
- The minimum lRMSD to the native structure retained by each of the proposed multi-objective ensemble reduction techniques is given for the Ω generated with the AMW energy function. Column 3 gives the size of the Pareto front as a percentage of the size of Ω. Column 4 gives the minimum lRMSD to the native structure of any conformation in the Ω. Columns 5 and 6 give minimum lRMSD retained by Ω
TE
(r)and Ω
PF
, respectively, where r is the corresponding value from Column 3. Columns 7-10 compare the minimum lRMSD retained by Ω
TE
(n)and Ω
PC
(n)for thresholds of n = 5% and n = 10%.
