| |
Native PDB id
|
Size
|
fold
|
% α
|
% β
|
Lowest Energy (kcal/mol)
|
Lowest lRMSD (Å)
|
|---|
| | | | | | |
T = 0
|
T
0
|
T
1
|
T
2
|
T = 0
|
T
0
|
T
1
|
T
2
|
|
1
|
1dtdB
|
61
|
α/β
|
15
|
46
|
-128.2
|
-132.1
|
-131.6
|
-127.9
|
6.9
|
6.6
|
6.9
|
7.0
|
|
2
|
1isuA
|
62
|
α/β
|
15
|
19
|
-127.8
|
-130.3
|
-130.7
|
-130.2
|
6.3
|
6.0
|
6.4
|
6.0
|
|
3
|
1c8cA
|
64
|
α/β
|
22
|
48
|
-133.5
|
-134.8
|
-130.8
|
-129.6
|
6.5
|
6.6
|
7.4
|
7.3
|
|
4
|
1sap
|
66
|
α/β
|
30
|
44
|
-132.8
|
-132.3
|
-133.6
|
-127.3
|
6.5
|
6.0
|
6.8
|
6.9
|
|
5
|
1hz6A
|
67
|
α/β
|
31
|
42
|
-143.5
|
-144.7
|
-142.1
|
-138.9
|
5.7
|
5.9
|
6.0
|
6.0
|
|
6
|
1wapA
|
68
|
β
|
0
|
62
|
-118.4
|
-127.2
|
-133.9
|
-127.9
|
7.4
|
7.6
|
7.4
|
7.5
|
|
7
|
1fwp
|
69
|
α/β
|
30
|
26
|
-152.8
|
-152.0
|
-143.5
|
-143.2
|
6.3
|
6.7
|
6.5
|
6.1
|
|
8
|
1ail
|
70
|
α
|
84
|
0
|
-170.6
|
-171.0
|
-167.3
|
-168.4
|
3.2
|
3.2
|
3.4
|
3.3
|
|
9
|
1aoy
|
78
|
α/β
|
41
|
10
|
-183.9
|
-181.2
|
-180.8
|
-184.1
|
5.7
|
6.4
|
6.0
|
6.4
|
|
10
|
1cc5
|
83
|
α
|
47
|
4
|
-170.9
|
-171.5
|
-179.1
|
-173.8
|
5.8
|
5.7
|
5.8
|
5.8
|
|
11
|
2ezk
|
93
|
α
|
68
|
0
|
-217.3
|
-218.6
|
-224.4
|
-216.0
|
4.3
|
4.6
|
4.2
|
4.4
|
|
12
|
1hhp
|
99
|
β
|
7
|
48
|
-168.7
|
-175.4
|
-179.0
|
-175.9
|
10.4
|
10.4
|
10.0
|
10.5
|
|
13
|
2hg6
|
106
|
α/β
|
34
|
21
|
-233.6
|
-236.8
|
-239.5
|
-235.1
|
8.8
|
9.0
|
8.8
|
9.2
|
|
14
|
3gwl
|
106
|
α
|
70
|
0
|
-264.6
|
-270.4
|
-273.9
|
-267.3
|
4.9
|
4.9
|
4.4
|
5.2
|
|
15
|
2h5nD
|
123
|
α
|
71
|
2
|
-307.8
|
-313.0
|
-316.5
|
-313.2
|
7.5
|
7.9
|
7.4
|
8.1
|
- Columns 2-4 show the native PDB id, size and fold topology for each of the 15 target protein systems. Columns 5 and 6 break the fold topology down as the percentage of amino acids which are part of ↵-helices and (3-sheets. Columns 7-10 report the minimum energy achieved for each temperature T of the minimization component of the BH framework. Columns 11-14 then report the corresponding lowest lRMSD to the native structure achieved for each T .
