Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1FYN-18.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 G
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 6.380 ΔGbinding 0.508
TOTAL
 6.888
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.403
Van der Waals -3.676 Backbone clash 1.187
Electrostatics 0.103 Helix dipole 0.000
Solvation Polar 3.328 Water bridges 0.000
Solvation Hyd -5.758 Disulfide 0.000
VdW clashes 3.162 Electrost. Kon 0.037
Entropy sc 0.153 Part.cov.bonds 0.000
Entropy mc

2.757

 ΔGstability

82.748
       

Predicted ligand sequences for model [FUS1_1FYN-18.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-18.PDB  

(data)
# Predicted Sequences Value Calculate
1 RWPRKSIHYY 0.0
2 RWPRKSIHYR 0.09
3 RWFRKSIHYY 0.12
4 RWPRRSIHYY 0.13
5 RWKRKSIHYY 0.15
6 RWPFKSIHYY 0.15
7 RWPRPSIHYY 0.16
8 RWPRKGIHYY 0.21
9 RWFRKSIHYR 0.21
10 RWPRRSIHYR 0.22
11 RWPMKSIHYY 0.22
12 RWPFKSIHYR 0.24
13 RWKRKSIHYR 0.25
14 RWFRRSIHYY 0.25
15 RWPRPSIHYR 0.25
16 RWFFKSIHYY 0.27
17 RWFRPSIHYY 0.28
18 RWKRRSIHYY 0.28
19 RWPFRSIHYY 0.28
20 RWKFKSIHYY 0.3
21 RWPMKSIHYR 0.31
22 RWPRKGIHYR 0.31
23 RWKRPSIHYY 0.31
24 RWPFPSIHYY 0.31
25 RWPRRGIHYY 0.34
26 RWFMKSIHYY 0.34
27 RWFRKGIHYY 0.34
28 RWPMRSIHYY 0.35
29 RWFRRSIHYR 0.35
30 RWPFKGIHYY 0.36
31 RWFRPSIHYR 0.37
32 RWPRPGIHYY 0.37
33 RWKMKSIHYY 0.37
34 RWKRKGIHYY 0.37
35 RWFFKSIHYR 0.37
36 RWPMPSIHYY 0.37
37 RWKRRSIHYR 0.38
38 RWPFRSIHYR 0.38
39 RWPRKSIHYK 0.4
40 RWKRPSIHYR 0.4
41 RWPFPSIHYR 0.4
42 RWFFRSIHYY 0.4
43 RWKFKSIHYR 0.4
44 RWPMKGIHYY 0.43
45 RWFMKSIHYR 0.43
46 RWFRKGIHYR 0.43
47 RWFFPSIHYY 0.43
48 RWKFRSIHYY 0.43
49 RWPMRSIHYR 0.44
50 RWPRRGIHYR 0.44
51 RWPRKSIWYY 0.45
52 RWPFKGIHYR 0.46
53 RWPRPGIHYR 0.46
54 RWPRKRIHYY 0.46
55 RWKRKGIHYR 0.46
56 RWKFPSIHYY 0.46
57 RWKMKSIHYR 0.46
58 RWFRRGIHYY 0.47
59 RWFMRSIHYY 0.47
60 RWPMPSIHYR 0.47
61 RWFRPGIHYY 0.49
62 RWFFKGIHYY 0.49
63 RWKRRGIHYY 0.5
64 RWKMRSIHYY 0.5
65 RWFMPSIHYY 0.5
66 RWFFRSIHYR 0.5
67 RWPFRGIHYY 0.5
68 RWKFKGIHYY 0.52
69 RWFRKSIHYK 0.52
70 RWPMKGIHYR 0.52
71 RWFFPSIHYR 0.52
72 RWPFPGIHYY 0.52
73 RWKMPSIHYY 0.53
74 RWPRRSIHYK 0.53
75 RWKRPGIHYY 0.53
76 RWKFRSIHYR 0.53
77 RWPRKSIWYR 0.55
78 RWKRKSIHYK 0.55
79 RWPRKRIHYR 0.55
80 RWKFPSIHYR 0.55
81 RWFMKGIHYY 0.55
82 RWPFKSIHYK 0.55
83 RWFMRSIHYR 0.56
84 RWFRRGIHYR 0.56
85 RWPMRGIHYY 0.56
86 RWPRPSIHYK 0.56
87 RWPRRSIWYY 0.58
88 RWFRKRIHYY 0.58
89 RWFRKSIWYY 0.58
90 RWFFKGIHYR 0.58
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RWFFKSIHYY

5.76

-10.07

-4.31
2 RWPFKSIHYY

5.74

-10.02

-4.28
3 RWKFKSIHYY

5.81

-9.83

-4.02
4 RWPFKGIHYY

4.6

-8.05

-3.45
5 RWPMKSIHYY

5.98

-9.28

-3.3
6 RWFRKGIHYY

5.25

-8.4

-3.15
7 RWPFKSIHYR

5.94

-9.06

-3.12
8 RWPMKSIHYR

5.69

-8.75

-3.06
9 RWPFRSIHYY

6.95

-9.81

-2.86
10 RWPRKGIHYR

4.74

-7.54

-2.8
11 RWPMRSIHYY

5.68

-8.4

-2.72
12 RWPRKSIHYR

5.87

-8.46

-2.59
13 RWKRKSIHYY

5.74

-8.16

-2.42
14 RWFMKSIHYY

5.53

-7.85

-2.32
15 RWPRRGIHYY

4.91

-7.09

-2.18
16 RWPFPSIHYY

6.36

-8.18

-1.82
17 RWPRKGIHYY

4.47

-6.07

-1.6
18 RWFRKSIHYR

5.54

-7.09

-1.55
19 RWFRRSIHYR

5.76

-7.23

-1.47
20 RWKRRSIHYY

5.81

-7.05

-1.24
21 RWPRKSIHYY

6.86

-7.92

-1.06
22 RWFRKSIHYY

5.84

-6.62

-0.78
23 RWPRRSIHYR

7.46

-8.12

-0.66
24 RWKRKSIHYR

6.96

-7.28

-0.32
25 RWPRPSIHYR

6.27

-6.45

-0.18
26 RWPRRSIHYY

6.84

-6.85

-0.01
27 RWPRPSIHYY

6.24

-6.12

0.12
28 RWKRPSIHYY

6.45

-5.78

0.67
29 RWFRPSIHYY

6.57

-5.85

0.72
30 RWFRRSIHYY

6.86

-6.04

0.82

 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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