Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1PWT-27.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
G
 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 3.398 ΔGbinding -4.173
TOTAL
 -0.775
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.136
Van der Waals -3.075 Backbone clash 0.198
Electrostatics -0.085 Helix dipole 0.000
Solvation Polar 3.926 Water bridges -0.037
Solvation Hyd -4.435 Disulfide 0.000
VdW clashes 0.398 Electrost. Kon -0.112
Entropy sc 0.770 Part.cov.bonds 0.000
Entropy mc

1.391

 ΔGstability

89.446
       

Predicted ligand sequences for model [FUS1_1PWT-27.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-27.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRKRRHRRR 0.0
2 RRRRRHRRR 0.01
3 RRKRMHRRR 0.11
4 RRRRMHRRR 0.12
5 WRKRRHRRR 0.15
6 WRRRRHRRR 0.16
7 YRKRRHRRR 0.18
8 YRRRRHRRR 0.19
9 RRWRRHRRR 0.26
10 WRKRMHRRR 0.26
11 WRRRMHRRR 0.27
12 RRKRRHRRK 0.28
13 RRKRRHRRW 0.29
14 YRKRMHRRR 0.29
15 RRRRRHRRK 0.3
16 RRRRRHRRW 0.3
17 YRRRMHRRR 0.3
18 RRWRMHRRR 0.37
19 RRKRRKRRR 0.38
20 RRKRMHRRK 0.39
21 RRKRMHRRW 0.4
22 WRWRRHRRR 0.4
23 RRRRRKRRR 0.4
24 RRRRMHRRK 0.41
25 RRRRMHRRW 0.41
26 WRKRRHRRW 0.43
27 WRKRRHRRK 0.43
28 YRWRRHRRR 0.44
29 WRRRRHRRK 0.44
30 WRRRRHRRW 0.45
31 YRKRRHRRK 0.46
32 RRKKRHRRR 0.47
33 YRKRRHRRW 0.47
34 YRRRRHRRK 0.48
35 YRRRRHRRW 0.48
36 RRRKRHRRR 0.48
37 RRKRMKRRR 0.49
38 RRKRPHRRR 0.49
39 RRRRMKRRR 0.5
40 RRKPRHRRR 0.5
41 RRRPRHRRR 0.51
42 WRWRMHRRR 0.51
43 RRRRPHRRR 0.51
44 WRKRRKRRR 0.53
45 RRWRRHRRK 0.54
46 RRWRRHRRW 0.54
47 WRKRMHRRW 0.54
48 WRKRMHRRK 0.54
49 WRRRRKRRR 0.54
50 YRWRMHRRR 0.55
51 WRRRMHRRK 0.55
52 YRKRRKRRR 0.56
53 WRRRMHRRW 0.56
54 YRKRMHRRK 0.57
55 YRRRRKRRR 0.57
56 RRKKMHRRR 0.58
57 YRRRMHRRK 0.58
58 YRKRMHRRW 0.58
59 YRRRMHRRW 0.59
60 RRRKMHRRR 0.59
61 RRKPMHRRR 0.61
62 WRKKRHRRR 0.61
63 RRRPMHRRR 0.62
64 WRRKRHRRR 0.63
65 WRKRPHRRR 0.64
66 WRKRMKRRR 0.64
67 RRWRRKRRR 0.64
68 WRRRMKRRR 0.65
69 WRKPRHRRR 0.65
70 RRWRMHRRK 0.65
71 RRWRMHRRW 0.65
72 YRKKRHRRR 0.65
73 WRRPRHRRR 0.66
74 WRRRPHRRR 0.66
75 RRKRRKRRK 0.66
76 YRRKRHRRR 0.66
77 YRKRPHRRR 0.67
78 RRKRRKRRW 0.67
79 YRKRMKRRR 0.67
80 YRKPRHRRR 0.68
81 YRRRMKRRR 0.68
82 RRRRRKRRW 0.68
83 RRRRRKRRK 0.68
84 YRRPRHRRR 0.69
85 WRWRRHRRW 0.69
86 WRWRRHRRK 0.69
87 YRRRPHRRR 0.69
88 YRWRRHRRK 0.72
89 YRWRRHRRW 0.72
90 WRKKMHRRR 0.72
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRRRMHRRW

5.74

-14.9

-9.16
2 RRKRMHRRK

5.15

-13.35

-8.2
3 RRWRMHRRR

5.02

-12.56

-7.54
4 YRKRMHRRR

4.99

-12.38

-7.39
5 RRKRMHRRW

5.25

-12.45

-7.2
6 WRKRMHRRR

5.53

-12.47

-6.94
7 WRRRMHRRR

6.29

-12.93

-6.64
8 YRRRMHRRR

5.39

-11.56

-6.17
9 RRKRMHRRR

6.53

-12.29

-5.76
10 RRRRMHRRK

5.1

-10.79

-5.69
11 WRKRRHRRW

5.28

-10.26

-4.98
12 YRWRRHRRR

5.24

-10.09

-4.85
13 YRKRRHRRR

5.83

-10.67

-4.84
14 WRKRRHRRK

4.62

-9.37

-4.75
15 WRRRRHRRK

5.5

-10.23

-4.73
16 RRRRMHRRR

5.52

-10.25

-4.73
17 WRWRRHRRR

4.68

-9.14

-4.46
18 RRRRRHRRK

6.09

-10.3

-4.21
19 RRKRRHRRK

4.86

-9.06

-4.2
20 RRRRRHRRR

5.76

-9.85

-4.09
21 RRWRRHRRR

5.45

-9.24

-3.79
22 RRKRRHRRR

4.64

-8.4

-3.76
23 WRKRRHRRR

5.33

-9.06

-3.73
24 RRRRRKRRR

5.36

-9.07

-3.71
25 WRRRRHRRR

5.18

-8.85

-3.67
26 RRRRRHRRW

5.57

-8.84

-3.27
27 YRRRRHRRR

5.76

-8.99

-3.23
28 RRKRRKRRR

5.92

-9.0

-3.08
29 WRRRRHRRW

4.63

-7.54

-2.91
30 RRKRRHRRW

5.15

-7.83

-2.68

 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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