Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1FYN-12.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala
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 4.005 ΔGbinding -1.294
TOTAL
 2.711
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.239
Van der Waals -1.689 Backbone clash 0.000
Electrostatics -0.010 Helix dipole 0.000
Solvation Polar 1.748 Water bridges 0.000
Solvation Hyd -2.448 Disulfide 0.000
VdW clashes 0.016 Electrost. Kon -0.070
Entropy sc 0.099 Part.cov.bonds 0.000
Entropy mc

0.821

 ΔGstability

74.175
       

Predicted ligand sequences for model [FUS1_1FYN-12.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_1FYN-12.PDB  

(data)
# Predicted Sequences Value Calculate
1 RWIMDMWR 0.0
2 HWIMDMWR 0.01
3 RWIMDRWR 0.05
4 FWIMDMWR 0.06
5 RWIMPMWR 0.06
6 HWIMDRWR 0.06
7 HWIMPMWR 0.07
8 RHIMDMWR 0.11
9 RWIMPRWR 0.11
10 FWIMDRWR 0.11
11 FWIMPMWR 0.12
12 HWIMPRWR 0.12
13 HHIMDMWR 0.12
14 RWIPDMWR 0.14
15 HWIPDMWR 0.15
16 RHIMDRWR 0.16
17 RHIMPMWR 0.17
18 HHIMDRWR 0.17
19 FWIMPRWR 0.17
20 HHIMPMWR 0.18
21 FHIMDMWR 0.18
22 HWIPDRWR 0.2
23 HWIMDMWK 0.2
24 RWIPPMWR 0.2
25 RWIPDRWR 0.2
26 RWIMDMWK 0.2
27 HWIPPMWR 0.21
28 FWIPDMWR 0.21
29 RHIMPRWR 0.22
30 RWIMHMWR 0.22
31 FHIMDRWR 0.23
32 HWIMHMWR 0.23
33 HHIMPRWR 0.23
34 FHIMPMWR 0.23
35 RWIMDRWK 0.24
36 RWIPPRWR 0.25
37 RWIMPMWK 0.25
38 HWIMDRWK 0.25
39 RHIPDMWR 0.26
40 HWIMPMWK 0.26
41 FWIMDMWK 0.26
42 FWIPDRWR 0.26
43 HWIPPRWR 0.26
44 RWIMHRWR 0.27
45 FWIPPMWR 0.27
46 HHIPDMWR 0.27
47 FHIMPRWR 0.28
48 HWIMHRWR 0.28
49 FWIMHMWR 0.29
50 RWIMDFWR 0.3
51 RWIMPRWK 0.3
52 HWIMDFWR 0.31
53 RHIPDRWR 0.31
54 RHIMDMWK 0.31
55 FWIMDRWK 0.31
56 HWIMPRWK 0.31
57 FWIPPRWR 0.32
58 FHIPDMWR 0.32
59 FWIMPMWK 0.32
60 RHIPPMWR 0.32
61 RSIMDMWR 0.32
62 HHIPDRWR 0.32
63 HHIPPMWR 0.32
64 HHIMDMWK 0.32
65 RWIMDMWP 0.32
66 HWIMDMWP 0.33
67 HSIMDMWR 0.33
68 RHIMHMWR 0.33
69 RWIPDMWK 0.34
70 HHIMHMWR 0.34
71 FWIMHRWR 0.34
72 HWIPDMWK 0.35
73 RWIMPFWR 0.36
74 RHIMPMWK 0.36
75 HWIMPFWR 0.36
76 HHIMDRWK 0.36
77 FWIMDFWR 0.36
78 RHIPPRWR 0.36
79 RHIMDRWK 0.36
80 HHIPPRWR 0.37
81 RSIMDRWR 0.37
82 HHIMPMWK 0.37
83 HWIPHMWR 0.37
84 FWIMPRWK 0.37
85 RWIMDRWP 0.37
86 RWIPHMWR 0.37
87 FHIPDRWR 0.37
88 FHIMDMWK 0.37
89 RHIMHRWR 0.38
90 RWIMPMWP 0.38
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FWIMPRWR

3.88

-7.35

-3.47
2 HWIPDRWR

4.01

-7.3

-3.29
3 HWIPDMWR

3.15

-6.16

-3.01
4 FWIPDMWR

2.4

-5.36

-2.96
5 HWIMPRWR

4.52

-7.4

-2.88
6 RWIMHMWR

3.15

-5.71

-2.56
7 HWIPPMWR

2.98

-5.52

-2.54
8 RWIPPMWR

3.17

-5.67

-2.5
9 RWIMPRWR

4.83

-7.28

-2.45
10 RWIPDMWR

3.09

-5.52

-2.43
11 RWIPDRWR

4.82

-7.24

-2.42
12 HWIMDRWR

3.8

-5.85

-2.05
13 RWIMPMWR

3.97

-5.96

-1.99
14 RWIMDMWK

3.9

-5.76

-1.86
15 RHIMPRWR

5.41

-7.2

-1.79
16 FWIMPMWR

3.53

-5.26

-1.73
17 HWIMPMWR

3.55

-5.24

-1.69
18 FWIMDRWR

4.01

-5.65

-1.64
19 RHIMPMWR

3.54

-5.17

-1.63
20 HHIMPMWR

3.58

-5.2

-1.62
21 HWIMDMWK

3.75

-5.31

-1.56
22 HWIMDMWR

3.79

-5.29

-1.5
23 FWIMDMWR

3.89

-5.34

-1.45
24 HHIMDRWR

3.84

-5.27

-1.43
25 HHIMDMWR

4.81

-6.13

-1.32
26 RHIMDRWR

4.48

-5.74

-1.26
27 RWIMDMWR

4.68

-5.68

-1.0
28 RWIMDRWR

4.34

-4.94

-0.6
29 FHIMDMWR

4.61

-5.07

-0.46
30 RHIMDMWR

4.08

-4.51

-0.43

 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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