Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1SHF-19.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
G
 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 7.764 ΔGbinding -0.734
TOTAL
 7.030
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.059
Van der Waals -3.443 Backbone clash 0.002
Electrostatics 0.346 Helix dipole 0.000
Solvation Polar 3.784 Water bridges -0.017
Solvation Hyd -5.249 Disulfide 0.000
VdW clashes 2.498 Electrost. Kon 0.384
Entropy sc 1.274 Part.cov.bonds 0.000
Entropy mc

2.679

 ΔGstability

120.299
       

Predicted ligand sequences for model [FUS1_1SHF-19.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-19.PDB  

(data)
# Predicted Sequences Value Calculate
1 FRSRYGRSG 0.0
2 FRSQYGRSG 0.02
3 FRSRYGLSG 0.03
4 FRSQYGLSG 0.05
5 FRSRYGRSY 0.11
6 FRSRYGKSG 0.11
7 FRSQYGRSY 0.12
8 FRSQYGKSG 0.13
9 FRSRYGLSY 0.14
10 FRSQYGLSY 0.16
11 FRSRYGMSG 0.22
12 FRSRYGKSY 0.22
13 FRSQYGMSG 0.24
14 FRSQYGKSY 0.24
15 FRSRYGMSY 0.33
16 FRSQYGMSY 0.35
17 FRKRYGRSG 0.45
18 FRKQYGRSG 0.47
19 FRIRYGRSG 0.48
20 FRSRYGRHG 0.48
21 FRSQYGRHG 0.49
22 FRKRYGLSG 0.49
23 FRIQYGRSG 0.5
24 FRKQYGLSG 0.51
25 FRSRYGLHG 0.51
26 FRIRYGLSG 0.52
27 FRSQYGLHG 0.53
28 FRIQYGLSG 0.54
29 FRKRYGRSY 0.56
30 FRKRYGKSG 0.57
31 FRSRYGRHY 0.58
32 FRKQYGRSY 0.58
33 FRSRYGKHG 0.59
34 FRIRYGRSY 0.59
35 FRKRYGLSY 0.59
36 FRKQYGKSG 0.59
37 FRSQYGRHY 0.6
38 FRIRYGKSG 0.6
39 FRKQYGLSY 0.61
40 FRSRYGLHY 0.61
41 FRIQYGRSY 0.61
42 FRSQYGKHG 0.61
43 FRIRYGLSY 0.62
44 FRIQYGKSG 0.62
45 FRSQYGLHY 0.63
46 FRIQYGLSY 0.64
47 FRKRYGKSY 0.67
48 FRKRYGMSG 0.68
49 FRSRYGKHY 0.69
50 FRKQYGKSY 0.69
51 FRKQYGMSG 0.7
52 FRSRYGMHG 0.7
53 FRIRYGKSY 0.7
54 FRIRYGMSG 0.71
55 FRSQYGKHY 0.71
56 FRSQYGMHG 0.72
57 FRIQYGKSY 0.72
58 FRIQYGMSG 0.73
59 FRKRYGMSY 0.78
60 FRKQYGMSY 0.8
61 FRIRYGMSY 0.81
62 FRSRYGMHY 0.81
63 FRSQYGMHY 0.82
64 FRIQYGMSY 0.83
65 FRKRYGRHG 0.93
66 FRKQYGRHG 0.95
67 FRIRYGRHG 0.96
68 FRKRYGLHG 0.96
69 FRIQYGRHG 0.98
70 FRKQYGLHG 0.98
71 FRIRYGLHG 0.99
72 FRIQYGLHG 1.01
73 FRKRYGRHY 1.04
74 FRKRYGKHG 1.04
75 FRKQYGKHG 1.06
76 FRKQYGRHY 1.06
77 FRIRYGKHG 1.07
78 FRIRYGRHY 1.07
79 FRKRYGLHY 1.07
80 FRIQYGRHY 1.08
81 FRIQYGKHG 1.09
82 FRKQYGLHY 1.09
83 FRIRYGLHY 1.1
84 FRIQYGLHY 1.12
85 FRKRYGMHG 1.15
86 FRKRYGKHY 1.15
87 FRKQYGMHG 1.17
88 FRKQYGKHY 1.17
89 FRIRYGMHG 1.18
90 FRIRYGKHY 1.18
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FRSQYGLSG

4.89

-5.3

-0.41
2 FRSRYGLSG

4.44

-4.4

0.04
3 FRKRYGRSG

5.62

-5.45

0.17
4 FRSRYGKSG

4.76

-4.22

0.54
5 FRSRYGMSG

4.83

-4.08

0.75
6 FRSRYGRSG

4.77

-4.01

0.76
7 FRKQYGRSG

5.99

-5.14

0.85
8 FRSQYGKSG

4.34

-3.32

1.02
9 FRKRYGKSG

4.75

-3.6

1.15
10 FRIRYGRSG

5.79

-4.46

1.33
11 FRIRYGLSG

6.1

-4.62

1.48
12 FRKQYGLSG

5.95

-4.26

1.69
13 FRSQYGLHG

4.81

-3.0

1.81
14 FRSQYGMSG

5.51

-3.68

1.83
15 FRIQYGLSG

4.41

-2.57

1.84
16 FRSRYGRHG

6.21

-4.29

1.92
17 FRSQYGRSG

4.97

-2.91

2.06
18 FRKRYGLSG

5.85

-3.63

2.22
19 FRSRYGLHG

6.41

-4.14

2.27
20 FRIQYGRSG

6.83

-4.48

2.35
21 FRKRYGRSY

7.62

-4.83

2.79
22 FRSRYGKSY

7.66

-4.74

2.92
23 FRSQYGRHG

5.82

-2.78

3.04
24 FRSQYGRSY

7.45

-4.24

3.21
25 FRSQYGLSY

7.7

-3.68

4.02
26 FRSQYGKSY

7.77

-3.55

4.22
27 FRSRYGLSY

7.46

-3.22

4.24
28 FRSRYGRSY

8.1

-3.86

4.24
29 FRSRYGMSY

7.42

-2.79

4.63
30 FRSQYGMSY

7.27

-2.46

4.81

 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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