Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1OV32-15.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
 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 1.475 ΔGbinding -0.617
TOTAL
 0.858
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.240
Van der Waals -3.642 Backbone clash 0.280
Electrostatics 0.359 Helix dipole 0.000
Solvation Polar 4.434 Water bridges -0.022
Solvation Hyd -5.369 Disulfide 0.000
VdW clashes 0.057 Electrost. Kon 0.364
Entropy sc 0.444 Part.cov.bonds 0.000
Entropy mc

3.795

 ΔGstability

61.126
       

Predicted ligand sequences for model [FUS1_1OV32-15.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_1OV32-15.PDB  

(data)
# Predicted Sequences Value Calculate
1 RFWFIVKIR 0.0
2 RFFFIVKIR 0.02
3 RFWFIVRIR 0.04
4 RFWFIIKIR 0.05
5 RFYFIVKIR 0.06
6 RFFFIVRIR 0.06
7 RFFFIIKIR 0.07
8 RFWFIVLIR 0.08
9 RFWFIVKKR 0.09
10 RFWFIIRIR 0.09
11 RFYFIVRIR 0.1
12 RFFFIVLIR 0.1
13 RFFFIVKKR 0.11
14 RFYFIIKIR 0.11
15 RFFFIIRIR 0.11
16 RFWFIVRKR 0.13
17 RFWFIILIR 0.13
18 RFWFIVKIV 0.13
19 RFWFIIKKR 0.14
20 RFYFIVLIR 0.14
21 RFFFIVKIV 0.15
22 RFYFIIRIR 0.15
23 RFYFIVKKR 0.15
24 RFFFIILIR 0.15
25 RFFFIVRKR 0.15
26 RFFFIIKKR 0.16
27 RFWFIVRIV 0.17
28 RFWFIVLKR 0.17
29 RFWFIIKIV 0.18
30 RFWFIIRKR 0.18
31 RFYFIVRKR 0.19
32 RFYFIILIR 0.19
33 RFYFIVKIV 0.19
34 RFFFIVLKR 0.19
35 RFFFIVRIV 0.19
36 RFFFIIRKR 0.2
37 RFYFIIKKR 0.2
38 RFFFIIKIV 0.2
39 RFWFIILKR 0.22
40 RFWFIVLIV 0.22
41 RFWFIIRIV 0.22
42 RFYFIVRIV 0.23
43 RFYFIVLKR 0.23
44 RFFFIVLIV 0.23
45 RFWFIVKKV 0.23
46 RFFFIVKKV 0.24
47 RFYFIIRKR 0.24
48 RFFFIILKR 0.24
49 RFYFIIKIV 0.24
50 RFFFIIRIV 0.24
51 RFWFKVKIR 0.25
52 RFWFIILIV 0.26
53 RFFFKVKIR 0.26
54 RFWFEVKIR 0.27
55 RFWFIVKMR 0.27
56 RFWFIVRKV 0.27
57 RFWFIIKKV 0.27
58 RFWIIVKIR 0.27
59 RFYFIILKR 0.28
60 RFFIIVKIR 0.28
61 RFYFIIRIV 0.28
62 RFYFIVLIV 0.28
63 RFFFIILIV 0.28
64 RFFFIVRKV 0.28
65 RFWFKVRIR 0.28
66 RFWFKIKIR 0.29
67 RFFFIVKMR 0.29
68 RFFFEVKIR 0.29
69 RFFFIIKKV 0.29
70 RFYFIVKKV 0.29
71 RFWWIVKIR 0.3
72 RFFFKVRIR 0.3
73 RFWIIVRIR 0.3
74 RFFFKIKIR 0.31
75 RFWIIIKIR 0.31
76 RFYFKVKIR 0.31
77 RFWFIVRMR 0.31
78 RFWFEVRIR 0.31
79 RFWFIVLKV 0.31
80 RFWFINKIR 0.31
81 RFWFIIRKV 0.31
82 RFWFEIKIR 0.32
83 RFFWIVKIR 0.32
84 RFYFIILIV 0.32
85 RFWFIIKMR 0.32
86 RFFIIVRIR 0.32
87 RFFFINKIR 0.32
88 RFFFIIRKV 0.33
89 RFYFIVRKV 0.33
90 RFFFIVRMR 0.33
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RFWFIIKIR

1.98

-9.87

-7.89
2 RFFFIVRIR

1.56

-9.18

-7.62
3 RFWFIVKKR

1.98

-9.18

-7.2
4 RFWFIIKKR

1.56

-8.71

-7.15
5 RFWFIIRKR

1.6

-8.58

-6.98
6 RFWFIVLKR

1.72

-8.46

-6.74
7 RFWFIVRIR

1.96

-8.57

-6.61
8 RFYFIVKIR

2.52

-8.62

-6.1
9 RFYFIIRIR

2.76

-8.77

-6.01
10 RFWFIILIR

2.22

-8.22

-6.0
11 RFYFIVKKR

2.66

-8.62

-5.96
12 RFYFIVRIR

2.1

-8.05

-5.95
13 RFFFIVKKR

2.2

-8.04

-5.84
14 RFYFIVLIR

2.83

-8.64

-5.81
15 RFFFIVRKR

2.55

-8.19

-5.64
16 RFFFIIKIR

1.95

-7.44

-5.49
17 RFWFIVRKR

2.74

-8.15

-5.41
18 RFWFIVLIR

2.72

-8.1

-5.38
19 RFFFIVLIR

3.12

-8.47

-5.35
20 RFFFIIRIR

3.34

-8.61

-5.27
21 RFWFIIKIV

2.77

-7.96

-5.19
22 RFFFIVKIR

2.99

-8.15

-5.16
23 RFWFIVKIR

3.06

-8.2

-5.14
24 RFWFIIRIR

2.93

-7.99

-5.06
25 RFFFIVKIV

2.86

-7.85

-4.99
26 RFFFIILIR

2.84

-7.64

-4.8
27 RFFFIIKKR

2.5

-7.17

-4.67
28 RFWFIVRIV

3.15

-7.56

-4.41
29 RFWFIVKIV

2.6

-6.83

-4.23
30 RFYFIIKIR

3.07

-6.46

-3.39

 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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