Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1FYN-16.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 6.811 ΔGbinding 0.300
TOTAL
 7.111
Backbone Hb -0.887 Cis_bond 0.000
Sidechain Hb -0.888 Torsional clash 0.492
Van der Waals -3.794 Backbone clash 0.353
Electrostatics 0.485 Helix dipole 0.000
Solvation Polar 4.589 Water bridges -0.000
Solvation Hyd -5.851 Disulfide 0.000
VdW clashes 1.837 Electrost. Kon 0.330
Entropy sc 0.401 Part.cov.bonds 0.000
Entropy mc

3.586

 ΔGstability

81.718
       

Predicted ligand sequences for model [FUS1_1FYN-16.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-16.PDB  

(data)
# Predicted Sequences Value Calculate
1 WWPFKSIHY 0.0
2 WWPFRSIHY 0.01
3 MWPFKSIHY 0.04
4 MWPFRSIHY 0.05
5 RWPFKSIHY 0.09
6 RWPFRSIHY 0.1
7 WWPFPSIHY 0.14
8 WWFFKSIHY 0.17
9 MWPFPSIHY 0.18
10 WWFFRSIHY 0.18
11 MWFFKSIHY 0.21
12 MWFFRSIHY 0.22
13 RWPFPSIHY 0.23
14 WWRFKSIHY 0.24
15 WWRFRSIHY 0.25
16 RWFFKSIHY 0.26
17 RWFFRSIHY 0.27
18 MWRFKSIHY 0.28
19 WWPLKSIHY 0.28
20 WWPLRSIHY 0.29
21 MWRFRSIHY 0.29
22 WWFFPSIHY 0.31
23 MWPLKSIHY 0.32
24 MWPLRSIHY 0.33
25 RWRFKSIHY 0.33
26 RWRFRSIHY 0.34
27 MWFFPSIHY 0.35
28 WWPFKGIHY 0.36
29 RWPLKSIHY 0.37
30 WWPFRGIHY 0.37
31 RWPLRSIHY 0.38
32 WWRFPSIHY 0.38
33 RWFFPSIHY 0.4
34 MWPFRGIHY 0.41
35 MWPFKGIHY 0.41
36 MWRFPSIHY 0.42
37 WWPLPSIHY 0.42
38 WWPFKSIHG 0.44
39 WWFLKSIHY 0.45
40 WWPFRSIHG 0.45
41 WWPIKSIHY 0.45
42 WWPIRSIHY 0.45
43 MWPLPSIHY 0.46
44 WWFLRSIHY 0.46
45 WWPFKSIWY 0.46
46 RWPFKGIHY 0.46
47 WWPFRSIWY 0.47
48 RWPFRGIHY 0.47
49 RWRFPSIHY 0.47
50 MWPFKSIHG 0.48
51 MWFLKSIHY 0.49
52 MWPIRSIHY 0.49
53 MWPFRSIHG 0.49
54 MWPIKSIHY 0.49
55 MWPFKSIWY 0.5
56 MWFLRSIHY 0.5
57 WWPFPGIHY 0.51
58 RWPLPSIHY 0.51
59 MWPFRSIWY 0.51
60 WWRLKSIHY 0.52
61 WWFFKGIHY 0.53
62 WWRLRSIHY 0.53
63 WWFFRGIHY 0.54
64 RWPIKSIHY 0.54
65 RWPFKSIHG 0.54
66 RWPFRSIHG 0.54
67 RWFLKSIHY 0.54
68 RWFLRSIHY 0.55
69 RWPFKSIWY 0.55
70 MWPFPGIHY 0.55
71 RWPIRSIHY 0.55
72 MWRLKSIHY 0.56
73 RWPFRSIWY 0.56
74 MWRLRSIHY 0.57
75 MWFFKGIHY 0.58
76 WWPIPSIHY 0.58
77 MWFFRGIHY 0.58
78 WWPFPSIHG 0.58
79 WWFLPSIHY 0.59
80 WWPFPSIWY 0.6
81 RWPFPGIHY 0.6
82 WWFIKSIHY 0.61
83 WWFFKSIHG 0.61
84 WWRFKGIHY 0.61
85 WWRFRGIHY 0.61
86 RWRLKSIHY 0.61
87 MWPFPSIHG 0.62
88 RWRLRSIHY 0.62
89 WWFFRSIHG 0.62
90 WWFIRSIHY 0.62
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RWFFKSIHY

4.93

-9.3

-4.37
2 RWFFRSIHY

5.58

-8.9

-3.32
3 RWPFKSIHY

5.95

-8.69

-2.74
4 MWPLKSIHY

4.78

-7.33

-2.55
5 MWPFKSIHY

4.7

-7.2

-2.5
6 MWPLRSIHY

5.17

-7.26

-2.09
7 RWRFKSIHY

6.74

-8.63

-1.89
8 RWPFRSIHY

6.73

-8.34

-1.61
9 MWRFRSIHY

6.28

-7.81

-1.53
10 MWPFPSIHY

6.03

-7.05

-1.02
11 RWPLKSIHY

6.38

-7.15

-0.77
12 RWRFRSIHY

8.07

-8.38

-0.31
13 MWRFKSIHY

5.92

-5.67

0.25
14 RWPFPSIHY

6.62

-6.32

0.3
15 WWPFKGIHY

5.04

-4.23

0.81
16 MWFFKSIHY

5.57

-4.66

0.91
17 WWPLRSIHY

7.3

-6.06

1.24
18 MWFFRSIHY

6.17

-4.48

1.69
19 WWPLKSIHY

6.24

-4.52

1.72
20 WWPFRGIHY

6.48

-4.7

1.78
21 MWPFRSIHY

6.66

-4.87

1.79
22 WWRFRSIHY

7.54

-5.09

2.45
23 MWFFPSIHY

7.07

-4.61

2.46
24 WWPFKSIHY

6.79

-3.84

2.95
25 WWPFPSIHY

8.13

-4.11

4.02
26 WWPFRSIHY

8.88

-4.6

4.28
27 WWFFKSIHY

8.23

-3.7

4.53
28 WWFFPSIHY

8.61

-4.03

4.58
29 WWRFKSIHY

8.77

-3.94

4.83
30 WWFFRSIHY

9.61

-4.63

4.98

 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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