Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1SHF-29.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 3.696 ΔGbinding 1.278
TOTAL
 4.974
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.162
Van der Waals -2.305 Backbone clash 0.000
Electrostatics 0.095 Helix dipole 0.000
Solvation Polar 2.694 Water bridges 0.000
Solvation Hyd -3.277 Disulfide 0.000
VdW clashes 2.375 Electrost. Kon 0.085
Entropy sc 0.708 Part.cov.bonds 0.000
Entropy mc

2.016

 ΔGstability

118.182
       

Predicted ligand sequences for model [FUS1_1SHF-29.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-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 KRRPWMRRRR 0.0
2 KRRPWMRRRH 0.0
3 KRRYWMRRRH 0.01
4 KRRYWMRRRR 0.01
5 KRRPWMPRRH 0.03
6 KRRYWMPRRH 0.04
7 KRRPWMPRRR 0.04
8 KRRYWMPRRR 0.05
9 HRRPWMRRRH 0.05
10 HRRYWMRRRH 0.06
11 HRRPWMRRRR 0.06
12 KRRFWMRRRR 0.07
13 KRRFWMRRRH 0.07
14 HRRYWMRRRR 0.07
15 DRRPWMRRRH 0.07
16 HRRPWMPRRH 0.08
17 DRRYWMRRRH 0.08
18 DRRPWMRRRR 0.08
19 HRRYWMPRRH 0.09
20 HRRPWMPRRR 0.09
21 DRRYWMRRRR 0.09
22 HRRYWMPRRR 0.1
23 KRRFWMPRRR 0.1
24 KRRFWMPRRH 0.1
25 KRRPWMKRRH 0.1
26 DRRPWMPRRR 0.11
27 DRRPWMPRRH 0.11
28 KRRPWMKRRR 0.11
29 KRRYWMKRRH 0.11
30 HRRFWMRRRH 0.12
31 HRRFWMRRRR 0.12
32 DRRYWMPRRH 0.12
33 DRRYWMPRRR 0.12
34 KRRYWMKRRR 0.12
35 KRRPWMRRIR 0.14
36 KRRPWMRRIH 0.14
37 DRRFWMRRRR 0.14
38 DRRFWMRRRH 0.14
39 HRRFWMPRRH 0.15
40 HRRFWMPRRR 0.15
41 KRRYWMRRIR 0.15
42 KRRYWMRRIH 0.15
43 HRRPWMKRRH 0.16
44 HRRPWMKRRR 0.16
45 DRRFWMPRRH 0.17
46 HRRYWMKRRR 0.17
47 HRRYWMKRRH 0.17
48 KRRPWMPRIR 0.17
49 KRRPWMPRIH 0.17
50 KRRPWMRRFH 0.17
51 KRRFWMKRRH 0.17
52 KRRFWMKRRR 0.17
53 DRRFWMPRRR 0.18
54 KRRYWMRRFH 0.18
55 KRRPWMRRFR 0.18
56 KRRYWMPRIR 0.18
57 KRRYWMPRIH 0.18
58 DRRPWMKRRH 0.18
59 DRRPWMKRRR 0.18
60 KRRYWMRRFR 0.19
61 HRRPWMRRIR 0.19
62 DRRYWMKRRH 0.19
63 HRRPWMRRIH 0.19
64 DRRYWMKRRR 0.19
65 HRRYWMRRIH 0.2
66 HRRYWMRRIR 0.2
67 KRRFWMRRIH 0.2
68 DRRPWMRRIH 0.21
69 KRRPWMPRFR 0.21
70 KRRPWMPRFH 0.21
71 KRRFWMRRIR 0.21
72 DRRPWMRRIR 0.22
73 DRRYWMRRIH 0.22
74 HRRFWMKRRR 0.22
75 HRRFWMKRRH 0.22
76 HRRPWMPRIH 0.22
77 KRRYWMPRFR 0.22
78 KRRYWMPRFH 0.22
79 HRRPWMRRFR 0.23
80 HRRYWMPRIH 0.23
81 HRRPWMRRFH 0.23
82 DRRYWMRRIR 0.23
83 HRRPWMPRIR 0.23
84 DRRPWMPRIH 0.24
85 KRRFWMRRFR 0.24
86 KRRFWMRRFH 0.24
87 HRRYWMRRFH 0.24
88 HRRYWMRRFR 0.24
89 DRRFWMKRRH 0.24
90 HRRYWMPRIR 0.24
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 HRRYWMPRRH

5.78

-13.01

-7.23
2 KRRFWMPRRH

4.54

-11.09

-6.55
3 HRRPWMPRRR

5.38

-11.7

-6.32
4 KRRPWMKRRR

5.98

-12.15

-6.17
5 KRRPWMPRRR

5.42

-11.51

-6.09
6 KRRPWMRRRR

5.84

-11.72

-5.88
7 KRRYWMRRRR

5.38

-11.1

-5.72
8 KRRYWMPRRH

4.4

-9.96

-5.56
9 DRRYWMRRRH

5.36

-10.91

-5.55
10 DRRPWMPRRR

5.87

-11.41

-5.54
11 HRRPWMRRRR

5.97

-11.44

-5.47
12 KRRYWMRRRH

5.75

-11.18

-5.43
13 KRRYWMKRRH

5.47

-10.89

-5.42
14 HRRPWMRRRH

5.83

-11.18

-5.35
15 KRRFWMRRRR

5.84

-11.1

-5.26
16 HRRYWMRRRH

5.69

-10.94

-5.25
17 HRRPWMPRRH

5.0

-10.18

-5.18
18 KRRPWMKRRH

6.15

-11.3

-5.15
19 HRRYWMRRRR

5.78

-10.92

-5.14
20 KRRPWMRRRH

5.75

-10.86

-5.11
21 KRRPWMPRRH

5.77

-10.66

-4.89
22 HRRFWMRRRH

5.58

-10.28

-4.7
23 DRRYWMRRRR

6.11

-10.79

-4.68
24 KRRFWMRRRH

5.31

-9.81

-4.5
25 DRRPWMPRRH

5.27

-9.76

-4.49
26 KRRYWMPRRR

5.48

-9.96

-4.48
27 DRRPWMRRRH

5.09

-9.36

-4.27
28 KRRFWMPRRR

5.28

-9.26

-3.98
29 HRRYWMPRRR

5.53

-9.03

-3.5
30 DRRPWMRRRR

5.59

-8.79

-3.2

 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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