Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1OV32-1.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 6.590 ΔGbinding -2.859
TOTAL
 3.731
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 2.097
Van der Waals -4.230 Backbone clash 0.458
Electrostatics -0.130 Helix dipole 0.000
Solvation Polar 3.948 Water bridges -0.322
Solvation Hyd -6.789 Disulfide 0.000
VdW clashes 0.866 Electrost. Kon -0.135
Entropy sc 0.632 Part.cov.bonds 0.000
Entropy mc

2.480

 ΔGstability

61.073
       

Predicted ligand sequences for model [FUS1_1OV32-1.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_1OV32-1.PDB  

(data)
# Predicted Sequences Value Calculate
1 FKWTRKPRRR 0.0
2 FKWTRKPHRR 0.06
3 FKWTRRPRRR 0.09
4 FKWTRKPKRR 0.09
5 FKWTRKRRRR 0.11
6 FKWTRRPHRR 0.15
7 FKWTRKRHRR 0.17
8 FKWTRRPKRR 0.18
9 FKWTRKRKRR 0.19
10 FKWTRRRRRR 0.2
11 FKWTRKPRRH 0.21
12 FKWTRRRHRR 0.26
13 FKWTRKPHRH 0.27
14 FKWWRKPRRR 0.28
15 FKWTRRRKRR 0.29
16 NKWTRKPRRR 0.3
17 FKWTRRPRRH 0.3
18 FKWTRKPKRH 0.3
19 FKWTRKRRRH 0.32
20 FKWWRKPHRR 0.34
21 FKWTRRPHRH 0.36
22 NKWTRKPHRR 0.36
23 FKWWRRPRRR 0.37
24 FKWWRKPKRR 0.37
25 FKWSRKPRRR 0.37
26 FKFTRKPRRR 0.37
27 FKWTRKRHRH 0.38
28 NKWTRKPKRR 0.38
29 NKWTRRPRRR 0.39
30 FKWTRRPKRH 0.39
31 FKWWRKRRRR 0.39
32 FKWTRMPRRR 0.41
33 FKWTRRRRRH 0.41
34 NKWTRKRRRR 0.41
35 FKWTRKRKRH 0.41
36 FKWTRKPRRY 0.42
37 FKWSRKPHRR 0.43
38 FKWWRRPHRR 0.43
39 FKFTRKPHRR 0.43
40 NKWTRRPHRR 0.45
41 FKFTRKPKRR 0.45
42 FKWSRKPKRR 0.45
43 FKWWRKRHRR 0.45
44 FKWWRRPKRR 0.46
45 FKWSRRPRRR 0.46
46 FKFTRRPRRR 0.46
47 FKFTRKRRRR 0.47
48 FKWTRMPHRR 0.47
49 FKWTRRRHRH 0.47
50 NKWTRRPKRR 0.47
51 NKWTRKRHRR 0.47
52 FKWSRKRRRR 0.47
53 FKWTRKPHRY 0.48
54 FKWWRKRKRR 0.48
55 FKWWRRRRRR 0.48
56 FKWTRMPKRR 0.49
57 FKWWRKPRRH 0.49
58 NKWTRKRKRR 0.49
59 FKWTRRRKRH 0.5
60 NKWTRRRRRR 0.5
61 FKYTRKPRRR 0.5
62 NKWTRKPRRH 0.51
63 FKWTRRPRRY 0.51
64 FKWTRKPKRY 0.51
65 FKWSRRPHRR 0.52
66 FKWTRMRRRR 0.52
67 FKFTRRPHRR 0.52
68 FKWTRKRRRY 0.53
69 FKWSRRPKRR 0.54
70 FKWSRKRHRR 0.54
71 FKWWRRRHRR 0.54
72 FKFTRKRHRR 0.54
73 FKFTRRPKRR 0.54
74 FKWWRKPHRH 0.55
75 FKWSRKRKRR 0.56
76 FKFTRKRKRR 0.56
77 FKYTRKPHRR 0.56
78 NKWTRRRHRR 0.56
79 FKFTRRRRRR 0.57
80 FKWWRRRKRR 0.57
81 FKWTRRPHRY 0.57
82 FKWSRRRRRR 0.57
83 NKWTRKPHRH 0.57
84 NKWWRKPRRR 0.58
85 FKWWRRPRRH 0.58
86 FKWWRKPKRH 0.58
87 FKYTRKPKRR 0.58
88 FKWSRKPRRH 0.58
89 FKWTRMRHRR 0.58
90 FKFTRKPRRH 0.58
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FKWTRRRKRR

6.95

-12.97

-6.02
2 FKWTRRRRRR

7.63

-12.33

-4.7
3 FKWTRKRHRR

6.32

-10.84

-4.52
4 FKWTRKRRRR

7.72

-11.8

-4.08
5 FKWTRRRHRR

6.58

-10.59

-4.01
6 FKWSRKPRRR

5.63

-9.51

-3.88
7 FKWTRRPHRR

7.65

-10.74

-3.09
8 FKWTRRPRRH

5.81

-8.66

-2.85
9 NKWTRKPKRR

6.78

-9.32

-2.54
10 FKFTRKPRRR

6.88

-9.28

-2.4
11 FKWTRRPKRH

6.49

-8.85

-2.36
12 FKWTRKRKRR

7.74

-10.05

-2.31
13 NKWTRRPRRR

5.79

-8.09

-2.3
14 FKWTRKPRRH

5.99

-8.11

-2.12
15 FKWWRRPRRR

7.54

-9.62

-2.08
16 FKWTRKRHRH

6.25

-8.26

-2.01
17 FKWTRRPKRR

6.89

-8.85

-1.96
18 FKWWRKPRRR

6.04

-7.84

-1.8
19 FKWTRKRRRH

6.28

-8.04

-1.76
20 FKWWRKPKRR

7.17

-8.92

-1.75
21 NKWTRKPRRR

7.06

-8.49

-1.43
22 FKWTRKPRRR

4.86

-6.29

-1.43
23 FKWTRRPRRR

6.75

-8.12

-1.37
24 FKWTRRPHRH

6.88

-7.99

-1.11
25 FKWWRKPHRR

8.49

-9.32

-0.83
26 FKWTRKPKRH

7.14

-7.63

-0.49
27 FKWTRKPKRR

6.7

-7.11

-0.41
28 FKWTRKPHRR

6.93

-6.75

0.18
29 NKWTRKPHRR

7.21

-6.8

0.41
30 FKWTRKPHRH

7.18

-6.6

0.58

 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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