Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1SHF-13.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 4.152 ΔGbinding -1.105
TOTAL
 3.047
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.324
Van der Waals -2.340 Backbone clash 0.031
Electrostatics 0.041 Helix dipole 0.000
Solvation Polar 3.141 Water bridges -0.021
Solvation Hyd -3.218 Disulfide 0.000
VdW clashes 0.040 Electrost. Kon 0.017
Entropy sc 0.856 Part.cov.bonds 0.000
Entropy mc

1.330

 ΔGstability

113.964
       

Predicted ligand sequences for model [FUS1_1SHF-13.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-13.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRPRRRWR 0.0
2 RRPMRRWR 0.09
3 RRRRRRWR 0.11
4 RRPRRPWR 0.15
5 RRRMRRWR 0.2
6 RRMRRRWR 0.22
7 RRWRRRWR 0.22
8 RRPMRPWR 0.24
9 RRRRRPWR 0.26
10 RRKRRRWR 0.28
11 RRPRYRWR 0.3
12 RRMMRRWR 0.3
13 RRWMRRWR 0.3
14 RRRMRPWR 0.35
15 RRKMRRWR 0.36
16 RRMRRPWR 0.37
17 RRWRRPWR 0.37
18 RRPRRFWR 0.38
19 RRPMYRWR 0.39
20 RRRRYRWR 0.41
21 RRPRRVWR 0.43
22 RRKRRPWR 0.43
23 RRPRRLWR 0.43
24 RRWMRPWR 0.45
25 RRPRYPWR 0.45
26 RRMMRPWR 0.45
27 RRPMRFWR 0.46
28 RRRRRFWR 0.49
29 RRRMYRWR 0.5
30 RRKMRPWR 0.51
31 RRMRYRWR 0.52
32 RRPMRLWR 0.52
33 RRWRYRWR 0.52
34 RRPMRVWR 0.52
35 RRRRRLWR 0.54
36 RRPMYPWR 0.54
37 RRRRRVWR 0.54
38 RRRMRFWR 0.57
39 RRRRYPWR 0.57
40 RRKRYRWR 0.58
41 RRMRRFWR 0.59
42 RRWRRFWR 0.59
43 RRMMYRWR 0.6
44 RRWMYRWR 0.6
45 RRRMRVWR 0.63
46 RRRMRLWR 0.63
47 RRRMYPWR 0.65
48 RRMRRLWR 0.65
49 RRMRRVWR 0.65
50 RRKRRFWR 0.65
51 RRWRRVWR 0.65
52 RRWRRLWR 0.65
53 RRMRYPWR 0.67
54 RRWRYPWR 0.67
55 RRKMYRWR 0.67
56 RRMMRFWR 0.68
57 RRPRYFWR 0.68
58 RRWMRFWR 0.68
59 RRKRRLWR 0.71
60 RRKRRVWR 0.71
61 RRWMRLWR 0.73
62 RRPRYVWR 0.73
63 RRMMRVWR 0.73
64 RRPRYLWR 0.73
65 RRWMRVWR 0.73
66 RRMMRLWR 0.73
67 RRKRYPWR 0.73
68 RRKMRFWR 0.74
69 RRMMYPWR 0.76
70 RRWMYPWR 0.76
71 RRPMYFWR 0.77
72 RRKMRVWR 0.79
73 RRRRYFWR 0.79
74 RRKMRLWR 0.79
75 RRPMYLWR 0.82
76 RRPMYVWR 0.82
77 RRKMYPWR 0.82
78 RRRRYVWR 0.84
79 RRRRYLWR 0.85
80 RRRMYFWR 0.88
81 RRMRYFWR 0.9
82 RRWRYFWR 0.9
83 RRRMYVWR 0.93
84 RRRMYLWR 0.93
85 RRWRYVWR 0.95
86 RRWRYLWR 0.95
87 RRMRYLWR 0.95
88 RRMRYVWR 0.95
89 RRKRYFWR 0.96
90 RRMMYFWR 0.98
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRPMYRWR

4.5

-9.49

-4.99
2 RRWMRPWR

4.67

-9.59

-4.92
3 RRPMRRWR

4.46

-9.13

-4.67
4 RRKMRPWR

4.82

-9.26

-4.44
5 RRMMRPWR

4.18

-8.62

-4.44
6 RRPMRPWR

5.18

-9.5

-4.32
7 RRRMRRWR

4.39

-8.7

-4.31
8 RRKMRRWR

5.34

-9.61

-4.27
9 RRRMRPWR

4.47

-8.46

-3.99
10 RRWRRPWR

5.0

-8.84

-3.84
11 RRRRRPWR

4.91

-8.63

-3.72
12 RRKRRPWR

5.24

-8.81

-3.57
13 RRPMRFWR

4.94

-8.5

-3.56
14 RRKRRRWR

4.9

-8.38

-3.48
15 RRPRRVWR

4.66

-7.98

-3.32
16 RRPRYPWR

5.15

-8.46

-3.31
17 RRRMYRWR

5.52

-8.71

-3.19
18 RRMMRRWR

5.73

-8.86

-3.13
19 RRRRRRWR

5.23

-8.22

-2.99
20 RRWMRRWR

5.91

-8.84

-2.93
21 RRPRRLWR

5.52

-8.15

-2.63
22 RRRRRFWR

5.56

-8.05

-2.49
23 RRPRYRWR

4.94

-7.43

-2.49
24 RRPRRRWR

6.31

-8.64

-2.33
25 RRMRRPWR

4.6

-6.78

-2.18
26 RRPRRFWR

5.87

-7.78

-1.91
27 RRMRRRWR

5.18

-7.07

-1.89
28 RRWRRRWR

5.34

-7.05

-1.71
29 RRRRYRWR

5.57

-7.14

-1.57
30 RRPRRPWR

5.8

-7.16

-1.36

 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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