Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1OV32-29.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 4.974 ΔGbinding 2.282
TOTAL
 7.256
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.312
Van der Waals -3.413 Backbone clash -0.000
Electrostatics 0.005 Helix dipole 0.000
Solvation Polar 3.459 Water bridges -0.052
Solvation Hyd -4.884 Disulfide 0.000
VdW clashes 4.208 Electrost. Kon -0.027
Entropy sc 0.248 Part.cov.bonds 0.000
Entropy mc

2.424

 ΔGstability

65.841
       

Predicted ligand sequences for model [FUS1_1OV32-29.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_1OV32-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 HLFKFMPMRF 0.0
2 KLFKFMPMRF 0.0
3 RLFKFMPMRF 0.04
4 HLFPFMPMRF 0.06
5 KLFPFMPMRF 0.06
6 KLFMFMPMRF 0.07
7 KLFKFMRMRF 0.07
8 HLFMFMPMRF 0.07
9 KLFKFMKMRF 0.08
10 HLFKFMKMRF 0.08
11 HLFKFMRMRF 0.08
12 RLFPFMPMRF 0.09
13 RLFMFMPMRF 0.1
14 RLFKFMRMRF 0.11
15 KLFKFMPMRY 0.11
16 RLFKFMKMRF 0.11
17 HLFKFMPMRY 0.12
18 HLFPFMRMRF 0.13
19 KLFPFMRMRF 0.13
20 KLFMFMRMRF 0.14
21 KLFPFMKMRF 0.14
22 HLFPFMKMRF 0.14
23 HLFMFMRMRF 0.15
24 KLFMFMKMRF 0.15
25 RLFKFMPMRY 0.15
26 HLFMFMKMRF 0.15
27 RLFPFMRMRF 0.16
28 HLFPFMPMRY 0.17
29 RLFPFMKMRF 0.17
30 KLFPFMPMRY 0.17
31 KLFMFMPMRY 0.18
32 KLFKFMRMRY 0.18
33 HLFMFMPMRY 0.18
34 RLFMFMRMRF 0.18
35 RLFMFMKMRF 0.18
36 KLFKFMKMRY 0.19
37 HLFKFMKMRY 0.19
38 HLFKFMRMRY 0.19
39 RLFPFMPMRY 0.21
40 RLFMFMPMRY 0.22
41 RLFKFMRMRY 0.22
42 RLFKFMKMRY 0.23
43 KLFKFPPMRF 0.24
44 HLFKFPPMRF 0.24
45 HRFKFMPMRF 0.24
46 KLFPFMRMRY 0.24
47 KRFKFMPMRF 0.24
48 HLFPFMRMRY 0.25
49 KLFMFMRMRY 0.25
50 KLFPFMKMRY 0.25
51 HLFPFMKMRY 0.25
52 HLFMFMRMRY 0.26
53 KLFMFMKMRY 0.26
54 KLRKFMPMRF 0.26
55 HLRKFMPMRF 0.26
56 HLFMFMKMRY 0.26
57 RLFKFPPMRF 0.28
58 RLFPFMRMRY 0.28
59 RRFKFMPMRF 0.28
60 RLFPFMKMRY 0.28
61 RLFMFMRMRY 0.29
62 RLRKFMPMRF 0.29
63 RLFMFMKMRY 0.29
64 KRFPFMPMRF 0.3
65 HRFPFMPMRF 0.3
66 KLFPFPPMRF 0.3
67 HLFPFPPMRF 0.3
68 HLFMFPPMRF 0.31
69 KRFMFMPMRF 0.31
70 HRFMFMPMRF 0.31
71 KLFMFPPMRF 0.31
72 KLFKFPRMRF 0.31
73 KRFKFMRMRF 0.31
74 HRFKFMRMRF 0.32
75 HRFKFMKMRF 0.32
76 HLFKFPKMRF 0.32
77 HLRPFMPMRF 0.32
78 KLFKFPKMRF 0.32
79 HLFKFPRMRF 0.32
80 KLRPFMPMRF 0.32
81 KRFKFMKMRF 0.32
82 HLRMFMPMRF 0.33
83 KLRKFMRMRF 0.33
84 KLRMFMPMRF 0.33
85 RLFPFPPMRF 0.33
86 RRFPFMPMRF 0.33
87 HLRKFMRMRF 0.33
88 HLRKFMKMRF 0.34
89 RLFMFPPMRF 0.34
90 RRFMFMPMRF 0.34
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KLFKFMPMRY

1.88

-9.18

-7.3
2 RLFPFMPMRF

2.55

-9.73

-7.18
3 HLFKFMPMRF

2.72

-9.88

-7.16
4 HLFPFMRMRF

2.53

-9.43

-6.9
5 HLFMFMPMRF

2.58

-9.47

-6.89
6 HLFPFMPMRY

3.1

-9.96

-6.86
7 KLFPFMKMRF

3.01

-9.8

-6.79
8 KLFMFMPMRF

2.74

-9.46

-6.72
9 KLFMFMRMRF

2.28

-8.96

-6.68
10 HLFKFMKMRF

2.46

-9.12

-6.66
11 KLFKFMPMRF

2.34

-8.9

-6.56
12 HLFMFMRMRF

2.85

-9.37

-6.52
13 RLFKFMPMRY

3.16

-9.47

-6.31
14 RLFMFMPMRF

3.02

-9.31

-6.29
15 HLFMFMKMRF

3.22

-9.5

-6.28
16 HLFKFMPMRY

2.89

-9.17

-6.28
17 KLFMFMKMRF

3.27

-9.54

-6.27
18 KLFPFMPMRY

3.65

-9.65

-6.0
19 HLFKFMRMRF

3.69

-9.56

-5.87
20 KLFKFMKMRF

3.25

-8.9

-5.65
21 RLFPFMRMRF

2.9

-8.54

-5.64
22 RLFKFMRMRF

2.73

-8.22

-5.49
23 RLFKFMPMRF

3.51

-8.94

-5.43
24 KLFPFMRMRF

3.26

-8.59

-5.33
25 RLFKFMKMRF

2.65

-7.97

-5.32
26 RLFPFMKMRF

3.04

-8.28

-5.24
27 HLFPFMKMRF

2.83

-7.98

-5.15
28 HLFPFMPMRF

3.33

-8.2

-4.87
29 KLFKFMRMRF

2.88

-7.51

-4.63
30 KLFPFMPMRF

2.97

-7.59

-4.62

 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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