Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1SHF-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 7.134 ΔGbinding 0.671
TOTAL
 7.805
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.025
Van der Waals -2.842 Backbone clash 0.074
Electrostatics 0.369 Helix dipole 0.000
Solvation Polar 3.007 Water bridges -0.000
Solvation Hyd -4.260 Disulfide 0.000
VdW clashes 0.763 Electrost. Kon 0.431
Entropy sc 0.471 Part.cov.bonds 0.000
Entropy mc

2.707

 ΔGstability

118.888
       

Predicted ligand sequences for model [FUS1_1SHF-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_1SHF-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 LRKERRMWR 0.0
2 LRRERRMWR 0.02
3 LRKERGMWR 0.03
4 LRRERGMWR 0.05
5 LRFERRMWR 0.08
6 LRFERGMWR 0.11
7 LRKEKRMWR 0.19
8 LRREKRMWR 0.21
9 LRKEKGMWR 0.22
10 LRREKGMWR 0.24
11 LRFEKRMWR 0.27
12 LRFEKGMWR 0.3
13 FRKERRMWR 0.3
14 LRKERRKWR 0.32
15 FRRERRMWR 0.32
16 FRKERGMWR 0.33
17 LRRERRKWR 0.34
18 LRKERGKWR 0.34
19 MRKERRMWR 0.34
20 FRRERGMWR 0.35
21 MRRERRMWR 0.36
22 LRRERGKWR 0.36
23 MRKERGMWR 0.37
24 FRFERRMWR 0.38
25 MRRERGMWR 0.39
26 LRFERRKWR 0.4
27 FRFERGMWR 0.41
28 MRFERRMWR 0.42
29 LRFERGKWR 0.42
30 LRKERRMWL 0.43
31 LRKERGMWL 0.45
32 MRFERGMWR 0.45
33 LRRERRMWL 0.45
34 LRRERGMWL 0.47
35 FRKEKRMWR 0.49
36 LRKEKRKWR 0.51
37 LRFERRMWL 0.51
38 FRREKRMWR 0.51
39 FRKEKGMWR 0.52
40 LRFERGMWL 0.53
41 LRREKRKWR 0.53
42 MRKEKRMWR 0.53
43 LRKEKGKWR 0.54
44 FRREKGMWR 0.54
45 MRREKRMWR 0.55
46 MRKEKGMWR 0.56
47 LRREKGKWR 0.56
48 FRFEKRMWR 0.57
49 MRREKGMWR 0.58
50 LRFEKRKWR 0.59
51 FRFEKGMWR 0.6
52 MRFEKRMWR 0.61
53 LRKEKRMWL 0.62
54 LRFEKGKWR 0.62
55 FRKERRKWR 0.62
56 MRFEKGMWR 0.64
57 FRKERGKWR 0.64
58 LRREKRMWL 0.64
59 FRRERRKWR 0.64
60 LRKEKGMWL 0.65
61 MRKERRKWR 0.66
62 FRRERGKWR 0.66
63 LRREKGMWL 0.67
64 MRKERGKWR 0.68
65 MRRERRKWR 0.68
66 MRRERGKWR 0.7
67 FRFERRKWR 0.7
68 LRFEKRMWL 0.7
69 FRFERGKWR 0.72
70 LRFEKGMWL 0.73
71 FRKERRMWL 0.73
72 LRKERRKWL 0.74
73 MRFERRKWR 0.74
74 FRRERRMWL 0.75
75 FRKERGMWL 0.75
76 MRFERGKWR 0.76
77 LRRERRKWL 0.77
78 LRKERGKWL 0.77
79 FRRERGMWL 0.77
80 MRKERRMWL 0.77
81 LRRERGKWL 0.79
82 MRKERGMWL 0.79
83 MRRERRMWL 0.79
84 FRKEKRKWR 0.81
85 MRRERGMWL 0.81
86 FRFERRMWL 0.81
87 LRFERRKWL 0.82
88 FRREKRKWR 0.83
89 FRFERGMWL 0.83
90 FRKEKGKWR 0.84
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MRRERRMWR

5.92

-10.75

-4.83
2 FRRERRMWR

6.01

-10.7

-4.69
3 FRFERRMWR

6.84

-11.18

-4.34
4 LRFERRMWR

6.39

-9.33

-2.94
5 MRKERRMWR

7.78

-9.99

-2.21
6 MRRERGMWR

5.68

-7.85

-2.17
7 LRFERGKWR

6.21

-8.3

-2.09
8 LRFEKGMWR

5.94

-7.88

-1.94
9 FRKERGMWR

6.69

-8.59

-1.9
10 FRFERGMWR

6.87

-8.7

-1.83
11 FRRERGMWR

7.52

-8.86

-1.34
12 LRKERGMWR

6.6

-7.92

-1.32
13 MRFERRMWR

8.84

-10.04

-1.2
14 FRKERRMWR

7.34

-8.4

-1.06
15 LRRERGKWR

6.28

-7.18

-0.9
16 LRKEKGMWR

6.37

-7.27

-0.9
17 LRKERGKWR

6.78

-7.56

-0.78
18 MRKERGMWR

6.98

-7.65

-0.67
19 LRREKGMWR

6.6

-7.21

-0.61
20 LRKEKRMWR

7.11

-7.72

-0.61
21 LRRERGMWR

6.98

-7.54

-0.56
22 LRFERRKWR

8.28

-8.75

-0.47
23 LRRERRMWR

8.04

-8.42

-0.38
24 LRFERGMWR

7.4

-7.7

-0.3
25 LRKERRKWR

8.25

-8.35

-0.1
26 LRKERRMWR

7.93

-7.75

0.18
27 LRRERRKWR

8.9

-8.46

0.44
28 LRFEKRMWR

8.22

-7.64

0.58
29 LRREKRMWR

7.55

-6.13

1.42
30 LRKERRMWL

9.47

-6.3

3.17

 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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