Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1PWT-20.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 6.598 ΔGbinding 1.066
TOTAL
 7.664
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.757
Van der Waals -3.576 Backbone clash 0.184
Electrostatics 0.264 Helix dipole 0.000
Solvation Polar 3.960 Water bridges -0.002
Solvation Hyd -5.361 Disulfide 0.000
VdW clashes 2.904 Electrost. Kon 0.273
Entropy sc 0.640 Part.cov.bonds 0.000
Entropy mc

2.480

 ΔGstability

94.646
       

Predicted ligand sequences for model [FUS1_1PWT-20.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_1PWT-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 FRPRRGRWR 0.0
2 FRFRRGRWR 0.02
3 FRYRRGRWR 0.06
4 FRPFRGRWR 0.12
5 FRFFRGRWR 0.14
6 FRPRRGYWR 0.17
7 FRYFRGRWR 0.18
8 FRFRRGYWR 0.19
9 FRYRRGYWR 0.23
10 FRPFRGYWR 0.29
11 FRFFRGYWR 0.31
12 FRYFRGYWR 0.35
13 FRPRRGRSR 0.36
14 FRPRRGRWG 0.38
15 FRFRRGRSR 0.38
16 FRPPRGRWR 0.38
17 FRPRKGRWR 0.4
18 FRFPRGRWR 0.4
19 FRFRRGRWG 0.4
20 FRFRKGRWR 0.42
21 FRYRRGRSR 0.42
22 FRYPRGRWR 0.44
23 FRYRRGRWG 0.44
24 FRYRKGRWR 0.45
25 FRPFRGRSR 0.48
26 FRFFRGRSR 0.5
27 FRPFRGRWG 0.5
28 FRPFKGRWR 0.52
29 FRFFRGRWG 0.52
30 FRPRRGYSR 0.53
31 FRYFRGRSR 0.54
32 FRFFKGRWR 0.54
33 FRPPRGYWR 0.55
34 FRFRRGYSR 0.55
35 FRPRRGYWG 0.55
36 FRYFRGRWG 0.56
37 FRFPRGYWR 0.57
38 FRFRRGYWG 0.57
39 FRPRKGYWR 0.57
40 FRYFKGRWR 0.58
41 FRYRRGYSR 0.59
42 FRFRKGYWR 0.59
43 FRYRRGYWG 0.6
44 FRYPRGYWR 0.61
45 FRYRKGYWR 0.62
46 FRPFRGYSR 0.65
47 FRPFRGYWG 0.67
48 FRFFRGYSR 0.67
49 FRPFKGYWR 0.69
50 FRFFRGYWG 0.69
51 FRFFKGYWR 0.71
52 FRYFRGYSR 0.71
53 FRYFRGYWG 0.73
54 FRPPRGRSR 0.74
55 FRYFKGYWR 0.74
56 FRPRRGRSG 0.74
57 FRPRKGRSR 0.76
58 FRFRRGRSG 0.76
59 FRPPRGRWG 0.76
60 FRFPRGRSR 0.76
61 FRPPKGRWR 0.78
62 FRFRKGRSR 0.78
63 FRPRKGRWG 0.78
64 FRFPRGRWG 0.78
65 FRFRKGRWG 0.8
66 FRFPKGRWR 0.8
67 FRYRRGRSG 0.8
68 FRYPRGRSR 0.8
69 FRYRKGRSR 0.81
70 FRYPRGRWG 0.82
71 FRYRKGRWG 0.83
72 FRYPKGRWR 0.84
73 FRPFRGRSG 0.86
74 FRFFRGRSG 0.88
75 FRPFKGRSR 0.88
76 FRFFKGRSR 0.9
77 FRPFKGRWG 0.9
78 FRPRRGYSG 0.91
79 FRPPRGYSR 0.91
80 FRYFRGRSG 0.92
81 FRFFKGRWG 0.92
82 FRFPRGYSR 0.93
83 FRPPRGYWG 0.93
84 FRFRRGYSG 0.93
85 FRPRKGYSR 0.93
86 FRYFKGRSR 0.94
87 FRPRKGYWG 0.94
88 FRPPKGYWR 0.95
89 FRFPRGYWG 0.95
90 FRFRKGYSR 0.95
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FRYPRGRWR

5.16

-7.93

-2.77
2 FRPFRGYWR

6.34

-8.21

-1.87
3 FRPRRGRWG

2.73

-3.85

-1.12
4 FRFRKGRWR

5.35

-6.3

-0.95
5 FRFFRGRWR

5.89

-6.83

-0.94
6 FRPRRGRWR

5.02

-5.89

-0.87
7 FRYRRGRWG

4.05

-4.88

-0.83
8 FRFRRGRSR

5.54

-6.18

-0.64
9 FRPRRGYSR

5.47

-5.91

-0.44
10 FRPRKGRWR

4.84

-5.09

-0.25
11 FRFFRGRSR

5.47

-5.24

0.23
12 FRFFRGRWG

5.02

-4.72

0.3
13 FRYRRGRWR

5.28

-4.88

0.4
14 FRPRRGRSR

5.8

-5.39

0.41
15 FRFFRGYWR

6.25

-5.81

0.44
16 FRFRRGRWG

4.35

-3.85

0.5
17 FRPFRGRWG

4.37

-3.8

0.57
18 FRPFRGRWR

6.03

-5.33

0.7
19 FRFRRGRWR

5.21

-4.25

0.96
20 FRFPRGRWR

4.97

-3.81

1.16
21 FRPFRGRSR

5.71

-4.47

1.24
22 FRPPRGRWR

5.48

-3.93

1.55
23 FRYRRGYWR

6.57

-4.9

1.67
24 FRYFRGYWR

7.2

-5.43

1.77
25 FRYRKGRWR

5.51

-3.73

1.78
26 FRFRRGYWR

7.73

-5.28

2.45
27 FRYRRGRSR

6.1

-3.17

2.93
28 FRPFKGRWR

5.98

-2.82

3.16
29 FRPRRGYWR

7.61

-3.89

3.72
30 FRYFRGRWR

9.4

-4.29

5.11

 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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