Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1TG0-8.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala
A
A
A
A
 A A A
A

Grey: Restrictive positions; only 1 or 2 residues predicted after FoldX analysis

Yellow: Tolerant positions; more than 10 residues predicted after FoldX analysis

 

WT ligand    

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Intraclash 0.785 ΔGbinding 1.733
TOTAL
 2.518
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.834
Van der Waals -3.731 Backbone clash 0.025
Electrostatics 0.922 Helix dipole 0.000
Solvation Polar 4.187 Water bridges 0.000
Solvation Hyd -5.420 Disulfide 0.000
VdW clashes 1.771 Electrost. Kon 0.909
Entropy sc 0.123 Part.cov.bonds 0.000
Entropy mc

2.139

 ΔGstability

9.556
       

Predicted ligand sequences for model [BBC1_1TG0-8.PDB]

(from FoldX scoring matrices).
If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence).
 
  BBC1_1TG0-8.PDB  

(data)
# Predicted Sequences Value Calculate
1 DWRPRLSF 0.0
2 EWRPRLSF 0.05
3 FWRPRLSF 0.06
4 DWRPRLTF 0.14
5 DWPPRLSF 0.16
6 EWRPRLTF 0.19
7 FWRPRLTF 0.2
8 DWRWRLSF 0.21
9 EWPPRLSF 0.21
10 DWRFRLSF 0.22
11 FWPPRLSF 0.23
12 DWRPRLHF 0.23
13 EWRWRLSF 0.26
14 FWRWRLSF 0.27
15 EWRFRLSF 0.27
16 DWRPRPSF 0.28
17 EWRPRLHF 0.28
18 FWRFRLSF 0.29
19 FWRPRLHF 0.29
20 DWPPRLTF 0.3
21 EWRPRPSF 0.33
22 FWRPRPSF 0.34
23 DWRWRLTF 0.35
24 DWRPKLSF 0.35
25 EWPPRLTF 0.36
26 DWRFRLTF 0.36
27 DWPWRLSF 0.37
28 FWPPRLTF 0.37
29 DWPFRLSF 0.39
30 DWPPRLHF 0.39
31 EWRWRLTF 0.41
32 EWRPKLSF 0.41
33 FWRPKLSF 0.42
34 DWRPRPTF 0.42
35 FWRWRLTF 0.42
36 EWRFRLTF 0.42
37 DWRPRWSF 0.42
38 FWRFRLTF 0.43
39 EWPWRLSF 0.43
40 DWPPRPSF 0.44
41 EWPFRLSF 0.44
42 DWRWRLHF 0.44
43 FWPWRLSF 0.44
44 EWPPRLHF 0.44
45 FWPPRLHF 0.45
46 FWPFRLSF 0.45
47 DWRFRLHF 0.45
48 EWRPRPTF 0.48
49 EWRPRWSF 0.48
50 FWRPRWSF 0.49
51 EWRWRLHF 0.49
52 DWRWRPSF 0.49
53 FWRPRPTF 0.49
54 DWRPKLTF 0.5
55 DWRFRPSF 0.5
56 EWPPRPSF 0.5
57 EWRFRLHF 0.5
58 DWRPLLSF 0.5
59 FWRWRLHF 0.5
60 FWPPRPSF 0.51
61 FWRFRLHF 0.51
62 DWRPRPHF 0.51
63 DWPWRLTF 0.52
64 DWPPKLSF 0.52
65 DWPFRLTF 0.53
66 EWRWRPSF 0.54
67 EWRPKLTF 0.55
68 EWRPLLSF 0.55
69 EWRPRPHF 0.56
70 FWRPKLTF 0.56
71 FWRWRPSF 0.56
72 EWRFRPSF 0.56
73 FWRPLLSF 0.56
74 FWRPRPHF 0.57
75 EWPWRLTF 0.57
76 FWRFRPSF 0.57
77 DWRWKLSF 0.57
78 DWRPRWTF 0.57
79 EWPPKLSF 0.57
80 EWPFRLTF 0.58
81 FWPPKLSF 0.58
82 FWPWRLTF 0.58
83 DWRFKLSF 0.58
84 DWRPKLHF 0.58
85 DWPPRWSF 0.59
86 FWPFRLTF 0.59
87 DWPPRPTF 0.59
88 DWPWRLHF 0.6
89 DWPFRLHF 0.61
90 EWRWKLSF 0.62
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DWRPRLHF

3.54

-8.04

-4.5
2 DWPFRLSF

3.46

-7.91

-4.45
3 FWRPRPSF

3.31

-7.42

-4.11
4 FWRWRLSF

3.34

-7.06

-3.72
5 FWRPRLHF

3.5

-6.87

-3.37
6 EWRPRLHF

3.56

-6.63

-3.07
7 EWPPRLTF

3.15

-6.21

-3.06
8 FWRFRLSF

3.4

-6.3

-2.9
9 EWRPRPSF

3.47

-6.24

-2.77
10 DWPPRLHF

3.37

-5.86

-2.49
11 DWRPKLSF

3.3

-5.67

-2.37
12 EWRPRLTF

3.51

-5.69

-2.18
13 DWPWRLSF

3.54

-5.63

-2.09
14 FWRPRLSF

3.14

-5.16

-2.02
15 DWPPRLSF

4.62

-6.57

-1.95
16 DWRPRLSF

3.72

-5.65

-1.93
17 DWRWRLSF

4.15

-6.06

-1.91
18 FWPPRLSF

4.36

-5.71

-1.35
19 EWRPRLSF

3.89

-5.19

-1.3
20 EWPPRLSF

3.55

-4.75

-1.2
21 EWRFRLSF

4.7

-5.57

-0.87
22 FWPPRLTF

4.48

-5.3

-0.82
23 DWRFRLTF

3.54

-4.29

-0.75
24 DWPPRLTF

3.21

-3.92

-0.71
25 DWRPRLTF

3.16

-3.76

-0.6
26 DWRFRLSF

4.53

-5.0

-0.47
27 EWRWRLSF

4.67

-5.03

-0.36
28 DWRPRPSF

3.65

-3.99

-0.34
29 FWRPRLTF

3.88

-4.19

-0.31
30 DWRWRLTF

4.33

-3.84

0.49

 NOTE: No more than 10 sequences can be selected for new calculations.

If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence.

NOTE: No more than 10 sequences can be selected for new calculations.

If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence.

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