Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1PWT-1.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 8.058 ΔGbinding -0.181
TOTAL
 7.877
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 2.239
Van der Waals -3.878 Backbone clash 0.407
Electrostatics -0.223 Helix dipole 0.000
Solvation Polar 3.782 Water bridges -0.001
Solvation Hyd -6.121 Disulfide 0.000
VdW clashes 3.016 Electrost. Kon -0.260
Entropy sc 0.830 Part.cov.bonds 0.000
Entropy mc

1.710

 ΔGstability

100.456
       

Predicted ligand sequences for model [FUS1_1PWT-1.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-1.PDB  

(data)
# Predicted Sequences Value Calculate
1 WCWRRRRRRY 0.0
2 WPWRRRRRRY 0.03
3 WCWRRWRRRY 0.07
4 WCWRRKRRRY 0.07
5 WPWRRKRRRY 0.1
6 WPWRRWRRRY 0.11
7 WCWRKRRRRY 0.15
8 WPWRKRRRRY 0.18
9 WCWRKWRRRY 0.22
10 WCWRKKRRRY 0.22
11 WCFRRRRRRY 0.23
12 WPWRKKRRRY 0.25
13 WPWRKWRRRY 0.25
14 WPFRRRRRRY 0.26
15 WCFRRWRRRY 0.3
16 WCFRRKRRRY 0.3
17 WPFRRKRRRY 0.33
18 WCWRHRRRRY 0.33
19 WCWRRRRRRR 0.33
20 WCRRRRRRRY 0.33
21 WPFRRWRRRY 0.34
22 WPRRRRRRRY 0.36
23 WPWRHRRRRY 0.36
24 WPWRRRRRRR 0.37
25 WCFRKRRRRY 0.38
26 WCRRRWRRRY 0.4
27 WCWRHKRRRY 0.4
28 WCRRRKRRRY 0.4
29 WPFRKRRRRY 0.41
30 WCWRHWRRRY 0.41
31 WCWRRWRRRR 0.41
32 WCWRRKRRRR 0.41
33 WCWMRRRRRY 0.42
34 WPRRRWRRRY 0.43
35 WPRRRKRRRY 0.43
36 WPWRRKRRRR 0.44
37 WPWRRWRRRR 0.44
38 WPWRHKRRRY 0.44
39 WPWRHWRRRY 0.44
40 WCFRKWRRRY 0.45
41 WCFRKKRRRY 0.45
42 WPWMRRRRRY 0.46
43 WCRRKRRRRY 0.47
44 WPFRKKRRRY 0.48
45 WCWRKRRRRR 0.48
46 WPFRKWRRRY 0.48
47 WCWMRKRRRY 0.5
48 WCWMRWRRRY 0.5
49 WPWRKRRRRR 0.51
50 WPRRKRRRRY 0.51
51 WPWMRKRRRY 0.53
52 WPWMRWRRRY 0.53
53 WCRRKKRRRY 0.54
54 WCWRKWRRRR 0.55
55 WCRRKWRRRY 0.55
56 WCWRKKRRRR 0.55
57 WCFRHRRRRY 0.56
58 WCFRRRRRRR 0.56
59 WCWMKRRRRY 0.57
60 WPWRKKRRRR 0.58
61 WPRRKWRRRY 0.58
62 WPRRKKRRRY 0.58
63 WPWRKWRRRR 0.59
64 WPFRHRRRRY 0.59
65 WPWMKRRRRY 0.6
66 WPFRRRRRRR 0.6
67 WCFRHKRRRY 0.63
68 WCFRHWRRRY 0.63
69 WCFRRKRRRR 0.63
70 WCFRRWRRRR 0.64
71 WCWMKWRRRY 0.64
72 WCWMKKRRRY 0.64
73 WCFMRRRRRY 0.65
74 WCRRHRRRRY 0.66
75 WCRRRRRRRR 0.66
76 WPFRHKRRRY 0.67
77 WPFRRKRRRR 0.67
78 WCWRHRRRRR 0.67
79 WPFRHWRRRY 0.67
80 WPFRRWRRRR 0.67
81 WPWMKKRRRY 0.68
82 WPWMKWRRRY 0.68
83 WPRRRRRRRR 0.69
84 WPFMRRRRRY 0.69
85 WPRRHRRRRY 0.69
86 WPWRHRRRRR 0.7
87 WCFRKRRRRR 0.71
88 WCFMRKRRRY 0.72
89 WCRRHWRRRY 0.73
90 WCRRRWRRRR 0.73
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 WPWRHRRRRY

6.45

-14.85

-8.4
2 WPWRRRRRRY

6.14

-14.09

-7.95
3 WPWRRRRRRR

7.84

-14.74

-6.9
4 WCWRRRRRRY

4.99

-11.43

-6.44
5 WCFRRRRRRY

5.57

-11.55

-5.98
6 WCRRRRRRRY

5.18

-11.08

-5.9
7 WCWRKRRRRY

5.89

-11.63

-5.74
8 WCFRRKRRRY

5.71

-11.25

-5.54
9 WCFRKRRRRY

5.55

-11.07

-5.52
10 WPWRKKRRRY

6.5

-11.99

-5.49
11 WPRRRRRRRY

7.17

-12.63

-5.46
12 WPFRRRRRRY

7.58

-12.83

-5.25
13 WPFRRWRRRY

7.22

-12.33

-5.11
14 WCWRRRRRRR

5.56

-10.63

-5.07
15 WCWRKWRRRY

5.49

-10.48

-4.99
16 WPFRKRRRRY

7.24

-12.16

-4.92
17 WCWRRKRRRY

4.9

-9.79

-4.89
18 WCRRRWRRRY

5.53

-10.41

-4.88
19 WCWRHRRRRY

5.45

-10.13

-4.68
20 WCRRRKRRRY

5.84

-10.43

-4.59
21 WCWRRWRRRY

5.47

-9.96

-4.49
22 WPFRRKRRRY

7.77

-12.21

-4.44
23 WPWRKRRRRY

8.1

-12.53

-4.43
24 WCWRHWRRRY

5.47

-9.72

-4.25
25 WCWRKKRRRY

5.2

-9.41

-4.21
26 WPWRRKRRRY

7.81

-11.94

-4.13
27 WCFRRWRRRY

5.41

-9.51

-4.1
28 WCWRHKRRRY

5.26

-8.89

-3.63
29 WPWRKWRRRY

7.4

-10.94

-3.54
30 WPWRRWRRRY

7.89

-11.34

-3.45

 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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