Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1SHF-5.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 8.287 ΔGbinding 1.294
TOTAL
 9.581
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 1.254
Van der Waals -4.302 Backbone clash 0.092
Electrostatics -0.053 Helix dipole 0.000
Solvation Polar 3.783 Water bridges 0.000
Solvation Hyd -6.927 Disulfide 0.000
VdW clashes 4.462 Electrost. Kon -0.077
Entropy sc 0.803 Part.cov.bonds 0.000
Entropy mc

3.626

 ΔGstability

124.168
       

Predicted ligand sequences for model [FUS1_1SHF-5.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-5.PDB  

(data)
# Predicted Sequences Value Calculate
1 KWWWPRPPRM 0.0
2 KWWWPRPHRM 0.06
3 KWWWPRPRRM 0.1
4 KWWWRRPPRM 0.15
5 KWWWKRPPRM 0.19
6 KWWWRRPHRM 0.21
7 KWRWPRPPRM 0.21
8 KWFWPRPPRM 0.23
9 KWWWRRPRRM 0.25
10 KWWWKRPHRM 0.25
11 KWRWPRPHRM 0.27
12 KWWWPRPPRI 0.29
13 KWWWKRPRRM 0.29
14 KWFWPRPHRM 0.29
15 KWWWPRWPRM 0.3
16 KWRWPRPRRM 0.31
17 KWWWPYPPRM 0.31
18 KWFWPRPRRM 0.32
19 KWWWPRPHRI 0.35
20 KWWWPRWHRM 0.36
21 KWRWRRPPRM 0.37
22 KWWWPYPHRM 0.37
23 KWFWRRPPRM 0.38
24 KWWWPRPRRI 0.39
25 KWWWPRPPHM 0.4
26 KWWWPRWRRM 0.4
27 KWWWPYPRRM 0.4
28 KWRWKRPPRM 0.41
29 KWFWKRPPRM 0.42
30 KWWWPKPPRM 0.43
31 KWRWRRPHRM 0.43
32 KWFWRRPHRM 0.44
33 KWWWRRPPRI 0.45
34 KWWWPRPPRK 0.46
35 KWWWRYPPRM 0.46
36 KWRWRRPRRM 0.46
37 KWWWPRPHHM 0.46
38 KWWWRRWPRM 0.46
39 KWFWRRPRRM 0.47
40 KWRWKRPHRM 0.47
41 KWWWKRPPRI 0.48
42 KWFWKRPHRM 0.48
43 KWWWPKPHRM 0.49
44 KWWWPRDPRM 0.5
45 KWWWKYPPRM 0.5
46 KWRWPRPPRI 0.5
47 KWRWKRPRRM 0.5
48 KWWWKRWPRM 0.5
49 KWWWPRPRHM 0.5
50 KWWWRRPHRI 0.51
51 KWFWKRPRRM 0.51
52 KWFWPRPPRI 0.52
53 KWWWRRWHRM 0.52
54 KWWWPRPHRK 0.52
55 KWRWPYPPRM 0.52
56 KWWWRYPHRM 0.52
57 KWRWPRWPRM 0.52
58 KWFWPYPPRM 0.53
59 KWFWPRWPRM 0.53
60 KWWWPKPRRM 0.53
61 KWWWRRPRRI 0.54
62 KWWWKRPHRI 0.54
63 KWWWRRWRRM 0.55
64 KWWWPRPRRK 0.55
65 KWWWKYPHRM 0.56
66 KWWWRYPRRM 0.56
67 KWRWPRPHRI 0.56
68 KWWWKRWHRM 0.56
69 KWWWRRPPHM 0.56
70 KWWWPRDHRM 0.56
71 KWRWPRWHRM 0.58
72 KWRWPYPHRM 0.58
73 KWWWKRPRRI 0.58
74 KWFWPRPHRI 0.58
75 KWWWKRPPHM 0.59
76 KWWWKRWRRM 0.59
77 KWWWPRDRRM 0.59
78 KWFWPRWHRM 0.59
79 KWFWPYPHRM 0.59
80 KWWWKYPRRM 0.59
81 KWWWRKPPRM 0.59
82 KWWWPRWPRI 0.6
83 KWRWPRPRRI 0.6
84 KWWWPYPPRI 0.6
85 KWWWRRPPRK 0.61
86 KWWWPYWPRM 0.61
87 KWFWPRPRRI 0.61
88 KWRWPRWRRM 0.61
89 KWRWPYPRRM 0.62
90 KWWWRRPHHM 0.62
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KWWWPRPRRM

6.29

-8.97

-2.68
2 KWWWRRPRRM

6.74

-9.02

-2.28
3 KWWWRRPHRM

8.36

-10.39

-2.03
4 KWRWPRPHRM

7.67

-9.57

-1.9
5 KWRWRRPPRM

7.94

-9.81

-1.87
6 KWRWPRPPRM

7.62

-9.19

-1.57
7 KWRWPRPRRM

6.94

-8.46

-1.52
8 KWWWRRPPRM

8.47

-9.91

-1.44
9 KWRWKRPPRM

7.65

-9.05

-1.4
10 KWWWPRPPHM

7.82

-9.06

-1.24
11 KWFWPRPRRM

8.02

-9.15

-1.13
12 KWFWPRPHRM

8.41

-9.41

-1.0
13 KWWWKRPRRM

8.09

-9.09

-1.0
14 KWWWKRPHRM

7.98

-8.85

-0.87
15 KWWWPRPPRM

6.57

-7.43

-0.86
16 KWFWKRPPRM

7.64

-8.45

-0.81
17 KWWWPRPHRM

7.88

-8.59

-0.71
18 KWFWRRPPRM

7.08

-7.54

-0.46
19 KWWWPRPRRI

7.76

-8.0

-0.24
20 KWWWKRPPRM

7.92

-8.15

-0.23
21 KWWWPKPPRM

7.81

-7.91

-0.1
22 KWFWPRPPRM

7.86

-7.7

0.16
23 KWWWPRWPRM

5.45

-5.06

0.39
24 KWWWPRPPRI

8.53

-8.08

0.45
25 KWWWPRPHRI

8.64

-8.11

0.53
26 KWWWPRWHRM

7.17

-6.3

0.87
27 KWWWPYPHRM

9.11

-7.8

1.31
28 KWWWPRWRRM

8.57

-7.06

1.51
29 KWWWPYPPRM

8.6

-6.45

2.15
30 KWWWPYPRRM

9.8

-7.54

2.26

 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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