Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1FYN-2.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 5.709 ΔGbinding 3.056
TOTAL
 8.765
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 1.095
Van der Waals -4.639 Backbone clash 0.043
Electrostatics -0.195 Helix dipole 0.000
Solvation Polar 5.107 Water bridges -0.005
Solvation Hyd -6.851 Disulfide 0.000
VdW clashes 5.469 Electrost. Kon -0.165
Entropy sc 1.345 Part.cov.bonds 0.000
Entropy mc

3.168

 ΔGstability

79.152
       

Predicted ligand sequences for model [FUS1_1FYN-2.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-2.PDB  

(data)
# Predicted Sequences Value Calculate
1 IRWRRWDRRR 0.0
2 IRWRHWDRRR 0.09
3 IRWRRWDPRR 0.1
4 IRWRRWDHRR 0.11
5 IRWRPWDRRR 0.17
6 IRWRHWDPRR 0.19
7 IRWRHWDHRR 0.19
8 IRWLRWDRRR 0.23
9 IRKRRWDRRR 0.23
10 IRWRPWDPRR 0.28
11 IRWRPWDHRR 0.28
12 IRWLHWDRRR 0.31
13 IRKRHWDRRR 0.31
14 IRKRRWDPRR 0.33
15 IRWLRWDPRR 0.33
16 IRWLRWDHRR 0.33
17 IRKRRWDHRR 0.33
18 FRWRRWDRRR 0.38
19 IRFRRWDRRR 0.39
20 IRWLPWDRRR 0.4
21 IRKRPWDRRR 0.4
22 IRKRHWDHRR 0.42
23 IRWLHWDPRR 0.42
24 IRWLHWDHRR 0.42
25 KRWRRWDRRR 0.42
26 IRKRHWDPRR 0.42
27 FRWRHWDRRR 0.46
28 IRKLRWDRRR 0.46
29 IRFRHWDRRR 0.47
30 IRWMRWDRRR 0.47
31 FRWRRWDPRR 0.48
32 FRWRRWDHRR 0.48
33 IRFRRWDHRR 0.49
34 IRFRRWDPRR 0.49
35 IRKRPWDHRR 0.5
36 IRWLPWDPRR 0.5
37 IRKRPWDPRR 0.5
38 IRWLPWDHRR 0.51
39 KRWRHWDRRR 0.51
40 KRWRRWDPRR 0.53
41 KRWRRWDHRR 0.53
42 IRKLHWDRRR 0.54
43 IRWMHWDRRR 0.55
44 FRWRPWDRRR 0.55
45 IRKLRWDHRR 0.56
46 IRFRPWDRRR 0.56
47 IRKLRWDPRR 0.56
48 IRFRHWDPRR 0.57
49 IRWMRWDHRR 0.57
50 FRWRHWDHRR 0.57
51 FRWRHWDPRR 0.57
52 IRWMRWDPRR 0.57
53 IRFRHWDHRR 0.58
54 FRKRRWDRRR 0.6
55 KRWRPWDRRR 0.6
56 KRWRHWDPRR 0.61
57 IRFLRWDRRR 0.61
58 FRWLRWDRRR 0.61
59 KRWRHWDHRR 0.62
60 IRKLPWDRRR 0.63
61 IRWMPWDRRR 0.64
62 IRKLHWDPRR 0.65
63 KRKRRWDRRR 0.65
64 KRWLRWDRRR 0.65
65 FRWRPWDPRR 0.65
66 IRKLHWDHRR 0.65
67 IRFRPWDHRR 0.66
68 IRFRPWDPRR 0.66
69 IRWMHWDPRR 0.66
70 IRWMHWDHRR 0.66
71 FRWRPWDHRR 0.66
72 FRKRHWDRRR 0.69
73 FRWLHWDRRR 0.69
74 IRFLHWDRRR 0.7
75 KRWRPWDPRR 0.7
76 IRKMRWDRRR 0.7
77 KRWRPWDHRR 0.7
78 FRKRRWDHRR 0.71
79 FRKRRWDPRR 0.71
80 FRWLRWDHRR 0.71
81 FRWLRWDPRR 0.71
82 IRFLRWDHRR 0.72
83 IRFLRWDPRR 0.72
84 IRKLPWDPRR 0.73
85 IRKLPWDHRR 0.73
86 IRWMPWDPRR 0.74
87 KRKRHWDRRR 0.74
88 KRWLHWDRRR 0.74
89 IRWMPWDHRR 0.75
90 FRFRRWDRRR 0.76
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 IRWRHWDHRR

6.69

-8.2

-1.51
2 IRKRRWDRRR

6.64

-8.1

-1.46
3 KRWRRWDRRR

7.84

-9.27

-1.43
4 IRWLHWDRRR

7.88

-9.3

-1.42
5 IRWLHWDHRR

8.15

-9.35

-1.2
6 IRWRPWDRRR

6.82

-7.75

-0.93
7 IRFRHWDRRR

7.73

-8.27

-0.54
8 IRWLHWDPRR

5.79

-5.96

-0.17
9 IRKRHWDRRR

6.51

-6.55

-0.04
10 IRWRRWDPRR

7.26

-6.96

0.3
11 IRWLPWDRRR

7.71

-7.35

0.36
12 IRWRHWDPRR

6.57

-6.2

0.37
13 IRKRPWDRRR

6.96

-6.55

0.41
14 IRWLRWDRRR

6.57

-6.09

0.48
15 IRKLRWDRRR

6.47

-5.95

0.52
16 FRWRRWDRRR

6.53

-5.85

0.68
17 IRWRPWDPRR

7.1

-6.37

0.73
18 IRFRRWDRRR

7.29

-6.53

0.76
19 IRWLRWDPRR

7.85

-7.06

0.79
20 IRKRHWDHRR

7.88

-6.93

0.95
21 IRWRPWDHRR

6.8

-5.8

1.0
22 IRWRRWDRRR

6.52

-5.35

1.17
23 IRWMRWDRRR

7.81

-6.55

1.26
24 FRWRHWDRRR

9.42

-8.05

1.37
25 IRWRRWDHRR

7.97

-6.6

1.37
26 IRKRHWDPRR

6.94

-5.23

1.71
27 IRWLRWDHRR

8.33

-6.51

1.82
28 IRKRRWDHRR

5.95

-3.6

2.35
29 IRWRHWDRRR

6.26

-2.93

3.33
30 IRKRRWDPRR

8.62

-4.48

4.14

 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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