Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1OV32-26.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
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 3.585 ΔGbinding 1.388
TOTAL
 4.973
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.259
Van der Waals -2.672 Backbone clash 0.013
Electrostatics 0.359 Helix dipole 0.000
Solvation Polar 3.307 Water bridges -0.018
Solvation Hyd -3.418 Disulfide 0.000
VdW clashes 0.427 Electrost. Kon 0.367
Entropy sc 0.206 Part.cov.bonds 0.000
Entropy mc

2.572

 ΔGstability

59.084
       

Predicted ligand sequences for model [FUS1_1OV32-26.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_1OV32-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 WRRRRRYPF 0.0
2 WRRKRRYPF 0.02
3 WRRRRRRPF 0.07
4 WRRRRRYRF 0.08
5 WKRRRRYPF 0.09
6 WRRKRRRPF 0.1
7 WRRFRRYPF 0.1
8 WRRRRRPPF 0.1
9 WKRKRRYPF 0.11
10 WRRKRRYRF 0.11
11 WRRKRRPPF 0.12
12 WRRRRRRRF 0.15
13 WKRRRRRPF 0.16
14 WKRRRRYRF 0.17
15 WRRFRRRPF 0.17
16 WRRRKRYPF 0.18
17 WRRFRRYRF 0.18
18 WRRKRRRRF 0.18
19 WKRKRRRPF 0.18
20 WKRRRRPPF 0.18
21 WKRFRRYPF 0.18
22 WRRRRRPRF 0.18
23 WKRKRRYRF 0.19
24 WRRKKRYPF 0.2
25 WRRKRRPRF 0.2
26 WRRFRRPPF 0.2
27 WKRKRRPPF 0.21
28 WDRRRRYPF 0.23
29 WKRRRRRRF 0.24
30 WDRKRRYPF 0.25
31 WRRRKRRPF 0.25
32 WKRKRRRRF 0.26
33 WRRFRRRRF 0.26
34 WKRFRRRPF 0.26
35 WRRRKRYRF 0.26
36 WKRRRRPRF 0.27
37 WKRRKRYPF 0.27
38 WKRFRRYRF 0.27
39 WRRFRRPRF 0.28
40 WRRFKRYPF 0.28
41 WRRKKRRPF 0.28
42 WKRFRRPPF 0.28
43 WRRRKRPPF 0.28
44 WKRKRRPRF 0.29
45 WKRKKRYPF 0.29
46 WRRKKRYRF 0.29
47 WDRRRRRPF 0.3
48 WRRKKRPPF 0.3
49 WRRRRRYHF 0.3
50 WDRRRRYRF 0.31
51 WDRRRRPPF 0.32
52 WRRRHRYPF 0.32
53 WDRKRRRPF 0.32
54 WDRKRRYRF 0.33
55 WRRKRRYHF 0.33
56 WDRFRRYPF 0.33
57 WKRRKRRPF 0.34
58 WRRRKRRRF 0.34
59 WKRFRRRRF 0.34
60 WRRKHRYPF 0.34
61 WKRRKRYRF 0.35
62 WDRKRRPPF 0.35
63 WRRFKRRPF 0.35
64 WKRKKRRPF 0.36
65 WRRRKRPRF 0.36
66 WRRFKRYRF 0.36
67 WRRKKRRRF 0.36
68 WKRRKRPPF 0.36
69 WKRKKRYRF 0.37
70 WKRFRRPRF 0.37
71 WKRFKRYPF 0.37
72 WDRRRRRRF 0.38
73 WRRFKRPPF 0.38
74 WRRKKRPRF 0.38
75 WRRRRRRHF 0.38
76 WKRRRRYHF 0.39
77 WRRRHRRPF 0.39
78 WKRKKRPPF 0.39
79 WRRRHRYRF 0.4
80 WRRRRRPHF 0.4
81 WRRFRRYHF 0.4
82 WRRKRRRHF 0.4
83 WKRRHRYPF 0.4
84 WDRFRRRPF 0.4
85 WDRKRRRRF 0.4
86 WDRRKRYPF 0.41
87 WDRFRRYRF 0.41
88 WDRRRRPRF 0.41
89 WRRRHRPPF 0.41
90 WRRKHRRPF 0.41
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 WRRRRRRPF

1.61

-8.24

-6.63
2 WRRKRRPPF

1.0

-7.4

-6.4
3 WRRKRRPRF

1.19

-7.46

-6.27
4 WRRRRRPPF

1.4

-7.67

-6.27
5 WKRRRRRPF

1.59

-7.72

-6.13
6 WRRKKRYPF

1.29

-7.42

-6.13
7 WRRRRRYRF

1.39

-7.26

-5.87
8 WRRRRRRRF

2.0

-7.83

-5.83
9 WRRFRRYRF

1.67

-7.45

-5.78
10 WKRRRRYRF

1.43

-7.2

-5.77
11 WRRKRRRRF

1.42

-7.17

-5.75
12 WKRRRRRRF

1.69

-7.34

-5.65
13 WRRKRRYPF

2.28

-7.76

-5.48
14 WKRRRRPPF

1.23

-6.66

-5.43
15 WKRKRRYPF

1.42

-6.82

-5.4
16 WKRKRRYRF

1.9

-7.28

-5.38
17 WKRRRRYPF

1.3

-6.63

-5.33
18 WKRKRRRPF

2.11

-7.43

-5.32
19 WKRFRRYPF

1.5

-6.81

-5.31
20 WRRFRRYPF

1.67

-6.83

-5.16
21 WRRKRRYRF

2.44

-7.56

-5.12
22 WDRKRRYPF

1.46

-6.5

-5.04
23 WKRKRRPPF

1.23

-6.24

-5.01
24 WDRRRRYPF

2.04

-7.0

-4.96
25 WRRRRRYPF

2.52

-7.45

-4.93
26 WRRFRRPPF

1.59

-6.32

-4.73
27 WRRRKRYPF

2.92

-7.3

-4.38
28 WRRKRRRPF

2.74

-7.05

-4.31
29 WRRFRRRPF

1.66

-5.84

-4.18
30 WRRRRRPRF

1.55

-5.51

-3.96

 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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