Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1FYN-1.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 6.326 ΔGbinding 0.810
TOTAL
 7.136
Backbone Hb -3.012 Cis_bond 0.000
Sidechain Hb -3.050 Torsional clash 1.806
Van der Waals -4.961 Backbone clash 0.511
Electrostatics -0.465 Helix dipole 0.000
Solvation Polar 6.677 Water bridges -0.052
Solvation Hyd -6.845 Disulfide 0.000
VdW clashes 4.581 Electrost. Kon -0.121
Entropy sc 2.336 Part.cov.bonds 0.000
Entropy mc

3.919

 ΔGstability

76.744
       

Predicted ligand sequences for model [FUS1_1FYN-1.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-1.PDB  

(data)
# Predicted Sequences Value Calculate
1 FRWLERRRMY 0.0
2 FRWLERRRFY 0.05
3 FRWDERRRMY 0.11
4 FRWLERRRHY 0.16
5 FRWMERRRMY 0.16
6 FRWDERRRFY 0.16
7 FRWLMRRRMY 0.18
8 FRWLDRRRMY 0.2
9 FRWMERRRFY 0.21
10 FRWLMRRRFY 0.23
11 FRWLDRRRFY 0.25
12 FRWDERRRHY 0.26
13 FRFLERRRMY 0.27
14 FRWDMRRRMY 0.29
15 FRWMERRRHY 0.31
16 FRWDDRRRMY 0.31
17 FRFLERRRFY 0.32
18 FRWDMRRRFY 0.34
19 FRWMMRRRMY 0.34
20 FRWLMRRRHY 0.34
21 FRWLDRRRHY 0.36
22 FRWDDRRRFY 0.36
23 FRWMDRRRMY 0.36
24 FRFDERRRMY 0.38
25 FRWMMRRRFY 0.39
26 FRWMDRRRFY 0.41
27 FRYLERRRMY 0.42
28 FRFMERRRMY 0.43
29 FRFDERRRFY 0.43
30 FRFLERRRHY 0.43
31 FRWDMRRRHY 0.44
32 FRWLERRKMY 0.44
33 FRFLMRRRMY 0.45
34 FRWDDRRRHY 0.46
35 FRFLDRRRMY 0.47
36 FRYLERRRFY 0.48
37 FRFMERRRFY 0.48
38 FRWMMRRRHY 0.49
39 FRWLERRKFY 0.49
40 FRWMDRRRHY 0.51
41 FRFLMRRRFY 0.51
42 FRFLDRRRFY 0.52
43 FRYDERRRMY 0.53
44 FRWDERRKMY 0.54
45 FRFDERRRHY 0.54
46 FRFDMRRRMY 0.56
47 FRYMERRRMY 0.58
48 FRFDDRRRMY 0.58
49 FRYDERRRFY 0.58
50 FRYLERRRHY 0.58
51 FRFMERRRHY 0.59
52 FRWMERRKMY 0.59
53 FRWLERRKHY 0.59
54 FRWDERRKFY 0.6
55 FRYLMRRRMY 0.61
56 FRFDMRRRFY 0.61
57 FRFMMRRRMY 0.61
58 FRFLMRRRHY 0.61
59 FRYLDRRRMY 0.62
60 FRWLMRRKMY 0.62
61 FRFMDRRRMY 0.63
62 FRFDDRRRFY 0.63
63 FRFLDRRRHY 0.63
64 FRYMERRRFY 0.63
65 FRWLDRRKMY 0.64
66 FRWMERRKFY 0.65
67 FRFMMRRRFY 0.66
68 FRYLMRRRFY 0.66
69 FRWLMRRKFY 0.67
70 FRFMDRRRFY 0.68
71 FRYLDRRRFY 0.68
72 FRYDERRRHY 0.69
73 FRWLDRRKFY 0.69
74 FRWDERRKHY 0.7
75 FRFLERRKMY 0.71
76 FRYDMRRRMY 0.71
77 FRFDMRRRHY 0.72
78 FRWDMRRKMY 0.73
79 FRYDDRRRMY 0.73
80 FRFDDRRRHY 0.74
81 FRWDDRRKMY 0.74
82 FRYMERRRHY 0.74
83 FRWMERRKHY 0.75
84 FRYLMRRRHY 0.76
85 FRFLERRKFY 0.76
86 FRYMMRRRMY 0.76
87 FRYDMRRRFY 0.77
88 FRFMMRRRHY 0.77
89 FRYLDRRRHY 0.78
90 FRYMDRRRMY 0.78
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FRWMMRRRMY

5.74

-9.09

-3.35
2 FRWMDRRRFY

5.34

-8.51

-3.17
3 FRWLMRRRMY

4.97

-7.69

-2.72
4 FRWDERRRMY

5.57

-8.13

-2.56
5 FRFDERRRFY

5.68

-8.17

-2.49
6 FRWDERRRFY

5.78

-8.01

-2.23
7 FRWLDRRRMY

7.16

-9.37

-2.21
8 FRYLERRRMY

6.74

-8.76

-2.02
9 FRWLMRRRFY

5.73

-7.44

-1.71
10 FRWLDRRRFY

5.64

-7.21

-1.57
11 FRFLERRRMY

6.28

-7.81

-1.53
12 FRFLERRRFY

5.85

-7.25

-1.4
13 FRFDERRRMY

6.18

-7.37

-1.19
14 FRWDDRRRMY

6.27

-7.31

-1.04
15 FRWDMRRRMY

6.16

-7.2

-1.04
16 FRWLERRRHY

5.33

-6.23

-0.9
17 FRWDDRRRFY

5.12

-5.96

-0.84
18 FRWMERRRFY

6.18

-6.93

-0.75
19 FRWMMRRRFY

7.14

-7.66

-0.52
20 FRWMDRRRMY

6.01

-6.47

-0.46
21 FRWDERRRHY

5.0

-4.96

0.04
22 FRWLERRRFY

7.17

-7.11

0.06
23 FRWDMRRRFY

6.7

-6.15

0.55
24 FRFMERRRMY

7.35

-6.8

0.55
25 FRWMERRRMY

6.8

-6.02

0.78
26 FRWLDRRRHY

5.67

-4.78

0.89
27 FRFLERRRHY

5.53

-4.45

1.08
28 FRWLERRRMY

6.66

-5.3

1.36
29 FRWMERRRHY

6.09

-4.41

1.68
30 FRWLMRRRHY

6.44

-4.62

1.82

 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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