Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1OV32-17.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8 9
poly-Ala
A
A
A
A
 A
G
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 1.435 ΔGbinding 5.555
TOTAL
 6.990
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.103
Van der Waals -4.358 Backbone clash 0.033
Electrostatics 0.260 Helix dipole 0.000
Solvation Polar 4.939 Water bridges -0.003
Solvation Hyd -6.323 Disulfide 0.000
VdW clashes 7.244 Electrost. Kon 0.255
Entropy sc 0.505 Part.cov.bonds 0.000
Entropy mc

4.207

 ΔGstability

67.049
       

Predicted ligand sequences for model [FUS1_1OV32-17.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).
 
  FUS1_1OV32-17.PDB  

(data)
# Predicted Sequences Value Calculate
1 RKVFPGWAH 0.0
2 RKVFWGWAH 0.06
3 RKVFFGWAH 0.09
4 RKIFPGWAH 0.1
5 RKPFPGWAH 0.1
6 RKRFPGWAH 0.1
7 RKRFWGWAH 0.15
8 RKPFWGWAH 0.15
9 RKLFPGWAH 0.15
10 RKIFWGWAH 0.16
11 RKVFRGWAH 0.18
12 RKPFFGWAH 0.19
13 RKRFFGWAH 0.19
14 RKIFFGWAH 0.2
15 RKVFPGMAH 0.2
16 RKLFWGWAH 0.2
17 RKLFFGWAH 0.24
18 RKVFWGMAH 0.25
19 RKIFRGWAH 0.28
20 RKPFRGWAH 0.28
21 RKRFRGWAH 0.28
22 RKRFPGMAH 0.29
23 RKVFFGMAH 0.29
24 RKPFPGMAH 0.3
25 RKIFPGMAH 0.3
26 RKLFRGWAH 0.33
27 RKLFPGMAH 0.34
28 RKRFWGMAH 0.35
29 RKIFWGMAH 0.35
30 RKPFWGMAH 0.35
31 RKVFRGMAH 0.38
32 RKIFFGMAH 0.39
33 RKRFFGMAH 0.39
34 RKPFFGMAH 0.39
35 RKLFWGMAH 0.4
36 RKVFPGWSH 0.4
37 RKVFLGWAH 0.4
38 RKLFFGMAH 0.44
39 RKVFWGWSH 0.45
40 RKIFRGMAH 0.48
41 RKRFRGMAH 0.48
42 RKPFRGMAH 0.48
43 RKVFFGWSH 0.49
44 RKRFPGWSH 0.49
45 RKIFPGWSH 0.5
46 RKPFLGWAH 0.5
47 RKPFPGWSH 0.5
48 RKIFLGWAH 0.5
49 RKRFLGWAH 0.5
50 RKLFRGMAH 0.53
51 RKLFLGWAH 0.55
52 RKPFWGWSH 0.55
53 RKLFPGWSH 0.55
54 RKRFWGWSH 0.55
55 RKIFWGWSH 0.56
56 RKVFRGWSH 0.58
57 RKPFFGWSH 0.59
58 RKIFFGWSH 0.59
59 RKRFFGWSH 0.59
60 RKVFPGMSH 0.59
61 RKVFLGMAH 0.6
62 RKLFWGWSH 0.6
63 RKLFFGWSH 0.64
64 RKVFWGMSH 0.65
65 RKRFRGWSH 0.68
66 RKPFRGWSH 0.68
67 RKIFRGWSH 0.68
68 RKRFLGMAH 0.69
69 RKVFFGMSH 0.69
70 RKRFPGMSH 0.69
71 RKPFPGMSH 0.69
72 RKIFLGMAH 0.7
73 RKPFLGMAH 0.7
74 RKIFPGMSH 0.7
75 RKLFRGWSH 0.73
76 RKLFLGMAH 0.74
77 RKLFPGMSH 0.74
78 RKPFWGMSH 0.75
79 RKIFWGMSH 0.75
80 RKRFWGMSH 0.75
81 RKVFRGMSH 0.78
82 RKPFFGMSH 0.79
83 RKRFFGMSH 0.79
84 RKIFFGMSH 0.79
85 RKVFLGWSH 0.8
86 RKLFWGMSH 0.8
87 RKLFFGMSH 0.84
88 RKPFRGMSH 0.87
89 RKRFRGMSH 0.87
90 RKIFRGMSH 0.88
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RKRFRGWAH

2.67

-6.47

-3.8
2 RKLFRGWAH

3.45

-5.36

-1.91
3 RKVFPGWAH

2.37

-3.85

-1.48
4 RKRFPGMAH

2.41

-3.82

-1.41
5 RKPFRGWAH

2.95

-4.24

-1.29
6 RKIFPGMAH

2.35

-3.57

-1.22
7 RKLFPGMAH

2.92

-4.08

-1.16
8 RKVFPGMAH

2.48

-3.5

-1.02
9 RKIFRGWAH

4.28

-5.24

-0.96
10 RKLFPGWAH

3.21

-4.0

-0.79
11 RKPFPGMAH

3.3

-3.98

-0.68
12 RKRFPGWAH

2.95

-3.51

-0.56
13 RKIFPGWAH

2.52

-3.05

-0.53
14 RKRFWGWAH

3.39

-3.89

-0.5
15 RKLFFGWAH

2.53

-2.95

-0.42
16 RKVFWGWAH

3.42

-3.63

-0.21
17 RKRFWGMAH

2.38

-2.53

-0.15
18 RKLFWGWAH

3.32

-3.43

-0.11
19 RKVFFGMAH

3.31

-3.2

0.11
20 RKVFFGWAH

3.59

-3.3

0.29
21 RKPFPGWAH

4.36

-4.05

0.31
22 RKPFWGWAH

3.1

-2.78

0.32
23 RKIFWGMAH

3.42

-2.87

0.55
24 RKIFWGWAH

2.56

-1.89

0.67
25 RKVFWGMAH

2.82

-2.08

0.74
26 RKVFRGWAH

3.64

-2.74

0.9
27 RKPFWGMAH

3.35

-2.39

0.96
28 RKPFFGWAH

3.31

-2.28

1.03
29 RKIFFGWAH

2.59

-1.19

1.4
30 RKRFFGWAH

3.4

-1.21

2.19

 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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