Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1FYN-5.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 10
poly-Ala
A
A
 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 9.577 ΔGbinding 3.494
TOTAL
 13.071
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 1.486
Van der Waals -4.613 Backbone clash 0.038
Electrostatics -0.045 Helix dipole 0.000
Solvation Polar 4.123 Water bridges -0.018
Solvation Hyd -7.399 Disulfide 0.000
VdW clashes 6.952 Electrost. Kon -0.012
Entropy sc 0.664 Part.cov.bonds 0.000
Entropy mc

3.631

 ΔGstability

86.973
       

Predicted ligand sequences for model [FUS1_1FYN-5.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_1FYN-5.PDB  

(data)
# Predicted Sequences Value Calculate
1 IMFWPKRHHR 0.0
2 IMFWPKRPHR 0.03
3 IMFWPKMHHR 0.1
4 IMFWPKRRHR 0.11
5 IMFWPKMPHR 0.14
6 IMYWPKRHHR 0.2
7 IMFWPKMRHR 0.21
8 IMWWPKRHHR 0.23
9 IMYWPKRPHR 0.24
10 IMWWPKRPHR 0.26
11 IMYWPKMHHR 0.31
12 IMYWPKRRHR 0.31
13 IMWWPKMHHR 0.33
14 IMWWPKRRHR 0.33
15 IMYWPKMPHR 0.34
16 IMWWPKMPHR 0.36
17 IMYWPKMRHR 0.41
18 IMFWKKRHHR 0.42
19 IMWWPKMRHR 0.44
20 IMFWDKRHHR 0.45
21 IMFWKKRPHR 0.45
22 IRFWPKRHHR 0.46
23 IMFWDKRPHR 0.48
24 KMFWPKRHHR 0.48
25 IRFWPKRPHR 0.49
26 KMFWPKRPHR 0.51
27 IMFWKKMHHR 0.52
28 IMFWKKRRHR 0.53
29 IMFWDKMHHR 0.55
30 IMFWKKMPHR 0.55
31 IMFWDKRRHR 0.56
32 IRFWPKRRHR 0.57
33 IRFWPKMHHR 0.57
34 KMFWPKMHHR 0.58
35 IMFWDKMPHR 0.58
36 KMFWPKRRHR 0.59
37 IRFWPKMPHR 0.6
38 KMFWPKMPHR 0.61
39 IMYWKKRHHR 0.62
40 IMFWKKMRHR 0.63
41 IMWWKKRHHR 0.64
42 IMYWKKRPHR 0.65
43 IMYWDKRHHR 0.65
44 IRYWPKRHHR 0.66
45 IMFWDKMRHR 0.66
46 IMWWDKRHHR 0.67
47 IMWWKKRPHR 0.67
48 IRFWPKMRHR 0.67
49 IMYWDKRPHR 0.68
50 KMYWPKRHHR 0.68
51 KMFWPKMRHR 0.69
52 IRWWPKRHHR 0.69
53 IRYWPKRPHR 0.7
54 KMWWPKRHHR 0.7
55 IMWWDKRPHR 0.7
56 KMYWPKRPHR 0.71
57 IRWWPKRPHR 0.72
58 IMYWKKMHHR 0.72
59 IMYWKKRRHR 0.73
60 KMWWPKRPHR 0.73
61 IMWWKKMHHR 0.75
62 IMWWKKRRHR 0.75
63 IMYWDKMHHR 0.75
64 IMYWDKRRHR 0.76
65 IMYWKKMPHR 0.76
66 IRYWPKRRHR 0.77
67 IRYWPKMHHR 0.77
68 IMWWDKRRHR 0.78
69 IMWWDKMHHR 0.78
70 IMWWKKMPHR 0.78
71 KMYWPKMHHR 0.79
72 KMYWPKRRHR 0.79
73 IMYWDKMPHR 0.79
74 IRWWPKMHHR 0.79
75 IRWWPKRRHR 0.79
76 IRYWPKMPHR 0.8
77 IMWWDKMPHR 0.81
78 KMWWPKRRHR 0.81
79 KMWWPKMHHR 0.81
80 IRWWPKMPHR 0.82
81 KMYWPKMPHR 0.82
82 IMYWKKMRHR 0.83
83 KMWWPKMPHR 0.84
84 IMWWKKMRHR 0.85
85 IMYWDKMRHR 0.86
86 IRYWPKMRHR 0.88
87 IMWWDKMRHR 0.88
88 IRFWKKRHHR 0.88
89 KMYWPKMRHR 0.89
90 KMFWKKRHHR 0.9
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 IMFWPKMRHR

5.75

-9.33

-3.58
2 IMFWPKRPHR

5.36

-8.79

-3.43
3 IMFWKKRPHR

6.14

-9.56

-3.42
4 IMFWKKMHHR

5.44

-8.8

-3.36
5 IMYWPKMPHR

6.1

-9.22

-3.12
6 IMYWPKMRHR

6.59

-9.49

-2.9
7 IMFWPKMHHR

6.63

-9.52

-2.89
8 IMFWDKMHHR

6.52

-9.39

-2.87
9 IMWWPKMRHR

4.92

-7.66

-2.74
10 IMFWPKRRHR

5.53

-8.26

-2.73
11 IMFWKKMPHR

5.57

-8.22

-2.65
12 IMWWPKRRHR

5.65

-8.16

-2.51
13 IMWWPKMPHR

5.87

-8.31

-2.44
14 IMFWPKMPHR

5.86

-8.07

-2.21
15 IMYWPKRRHR

5.28

-7.43

-2.15
16 IMFWPKRHHR

6.23

-8.28

-2.05
17 IMFWDKRHHR

6.67

-8.41

-1.74
18 IMWWPKMHHR

7.61

-9.1

-1.49
19 KMFWPKRPHR

5.53

-6.9

-1.37
20 IMYWPKRPHR

6.99

-8.07

-1.08
21 IMFWKKRRHR

7.32

-8.05

-0.73
22 IMWWPKRHHR

7.69

-8.32

-0.63
23 IMYWPKRHHR

7.89

-8.36

-0.47
24 IMWWPKRPHR

6.67

-7.08

-0.41
25 IMFWDKRPHR

7.17

-7.45

-0.28
26 KMFWPKRHHR

7.1

-7.04

0.06
27 IMFWKKRHHR

6.27

-6.21

0.06
28 IMYWPKMHHR

6.4

-6.24

0.16
29 IRFWPKRHHR

7.15

-6.92

0.23
30 IRFWPKRPHR

6.95

-3.74

3.21

 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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