Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1SHF-14.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
 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 3.693 ΔGbinding 0.887
TOTAL
 4.580
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.063
Van der Waals -2.685 Backbone clash 0.093
Electrostatics 0.316 Helix dipole 0.000
Solvation Polar 3.130 Water bridges -0.101
Solvation Hyd -4.116 Disulfide 0.000
VdW clashes 0.571 Electrost. Kon 0.408
Entropy sc 0.704 Part.cov.bonds 0.000
Entropy mc

3.872

 ΔGstability

115.314
       

Predicted ligand sequences for model [FUS1_1SHF-14.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_1SHF-14.PDB  

(data)
# Predicted Sequences Value Calculate
1 FHPWYFRRK 0.0
2 MHPWYFRRK 0.01
3 FHPWYFKRK 0.04
4 MHPWYFKRK 0.06
5 FHPFYFRRK 0.06
6 FHPWYFRKK 0.07
7 MHPFYFRRK 0.07
8 FHFWYFRRK 0.08
9 MHPWYFRKK 0.09
10 FHPFYFKRK 0.1
11 MHFWYFRRK 0.1
12 MHPFYFKRK 0.11
13 FHPWYKRRK 0.11
14 MHPWYKRRK 0.12
15 FHPWYFKKK 0.12
16 MHPWYFKKK 0.13
17 FHYWYFRRK 0.13
18 FHFWYFKRK 0.13
19 FHPFYFRKK 0.13
20 MHYWYFRRK 0.14
21 FHFFYFRRK 0.14
22 MHFWYFKRK 0.14
23 FHPWYKKRK 0.15
24 MHFFYFRRK 0.15
25 FHPWYFRCK 0.15
26 MHPFYFRKK 0.15
27 FHFWYFRKK 0.16
28 WHPWYFRRK 0.17
29 MHPWYKKRK 0.17
30 FHPFYKRRK 0.17
31 MHFWYFRKK 0.17
32 FHYWYFKRK 0.17
33 MHPWYFRCK 0.17
34 FHPFYFKKK 0.17
35 FHYFYFRRK 0.18
36 FHFFYFKRK 0.18
37 MHPFYKRRK 0.18
38 FHPWYKRKK 0.18
39 MHYWYFKRK 0.18
40 MHPFYFKKK 0.19
41 FHFWYKRRK 0.19
42 MHYFYFRRK 0.2
43 FHFWYFKKK 0.2
44 FHYWYFRKK 0.2
45 FHPWYFKCK 0.2
46 MHPWYKRKK 0.2
47 MHFFYFKRK 0.2
48 FHPFYFRCK 0.21
49 FHPFYKKRK 0.21
50 FHPWYFERK 0.21
51 WHPWYFKRK 0.21
52 MHFWYKRRK 0.21
53 MHPWYFKCK 0.21
54 FHFFYFRKK 0.22
55 MHFWYFKKK 0.22
56 MHPFYKKRK 0.22
57 MHYWYFRKK 0.22
58 WHPFYFRRK 0.23
59 MHFFYFRKK 0.23
60 MHPFYFRCK 0.23
61 MHPWYFERK 0.23
62 FHYFYFKRK 0.23
63 FHPWYKKKK 0.23
64 FHPFYKRKK 0.24
65 FHYWYFKKK 0.24
66 FHYWYKRRK 0.24
67 MHPWYKKKK 0.24
68 WHPWYFRKK 0.24
69 MHYFYFKRK 0.24
70 FHFWYFRCK 0.24
71 FHFWYKKRK 0.24
72 FHPMYFRRK 0.25
73 WHFWYFRRK 0.25
74 MHFWYFRCK 0.25
75 MHYWYKRRK 0.25
76 MHFWYKKRK 0.25
77 FHPFYFKCK 0.25
78 FHFFYKRRK 0.25
79 MHPFYKRKK 0.26
80 FHFFYFKKK 0.26
81 MHYWYFKKK 0.26
82 FHYFYFRKK 0.26
83 MHPFYFKCK 0.27
84 FHPFYFERK 0.27
85 MHYFYFRKK 0.27
86 WHPFYFKRK 0.27
87 MHFFYFKKK 0.27
88 FHPWYKRCK 0.27
89 MHFFYKRRK 0.27
90 MHPMYFRRK 0.27
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 WHPWYFRRK

3.71

-6.8

-3.09
2 MHPWYKRRK

3.64

-6.2

-2.56
3 MHPWYFRKK

3.48

-5.96

-2.48
4 MHPWYKKRK

3.12

-5.47

-2.35
5 MHFWYFRRK

3.86

-6.15

-2.29
6 MHPWYFKRK

4.47

-6.72

-2.25
7 MHYWYFRRK

3.85

-6.01

-2.16
8 MHFWYFKRK

4.58

-6.29

-1.71
9 MHPWYFKKK

3.74

-5.22

-1.48
10 MHPWYFRRK

4.97

-6.22

-1.25
11 MHPFYFRRK

5.05

-6.27

-1.22
12 MHPFYFKRK

5.12

-5.97

-0.85
13 MHFFYFRRK

5.88

-6.24

-0.36
14 FHYWYFRRK

5.14

-5.36

-0.22
15 MHPFYFRKK

5.43

-5.33

0.1
16 FHPFYKRRK

3.47

-3.28

0.19
17 FHPWYKRRK

4.8

-4.41

0.39
18 FHPFYFRRK

5.65

-5.03

0.62
19 FHPWYFKRK

5.72

-5.1

0.62
20 FHPWYFRRK

5.85

-5.02

0.83
21 FHFWYFKRK

6.01

-4.84

1.17
22 FHFWYFRRK

5.89

-4.68

1.21
23 FHPWYKKRK

4.39

-2.99

1.4
24 FHPFYFKRK

5.31

-3.7

1.61
25 FHFFYFRRK

6.31

-4.42

1.89
26 FHFWYFRKK

5.57

-3.64

1.93
27 FHPWYFRKK

5.96

-3.95

2.01
28 FHPFYFRKK

5.91

-3.63

2.28
29 FHPWYFRCK

5.88

-3.34

2.54
30 FHPWYFKKK

6.72

-3.68

3.04

 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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