Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1OV32-25.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 4.830 ΔGbinding 2.022
TOTAL
 6.852
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.370
Van der Waals -3.608 Backbone clash 0.065
Electrostatics 0.467 Helix dipole 0.000
Solvation Polar 5.783 Water bridges -0.016
Solvation Hyd -4.652 Disulfide 0.000
VdW clashes 1.371 Electrost. Kon 0.451
Entropy sc 0.404 Part.cov.bonds 0.000
Entropy mc

4.501

 ΔGstability

62.157
       

Predicted ligand sequences for model [FUS1_1OV32-25.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_1OV32-25.PDB  

(data)
# Predicted Sequences Value Calculate
1 HMKRFRRAP 0.0
2 HMKPFRRAP 0.01
3 KMKRFRRAP 0.02
4 KMKPFRRAP 0.03
5 RMKRFRRAP 0.05
6 RMKPFRRAP 0.06
7 HMKRMRRAP 0.12
8 HMKRFPRAP 0.13
9 HMKPMRRAP 0.13
10 HMKPFPRAP 0.14
11 KMKRMRRAP 0.14
12 KMKPMRRAP 0.15
13 HMKKFRRAP 0.15
14 KMKRFPRAP 0.15
15 KMKPFPRAP 0.16
16 RMKRMRRAP 0.17
17 RMKRFPRAP 0.18
18 KMKKFRRAP 0.18
19 RMKPMRRAP 0.18
20 HMKRIRRAP 0.19
21 RMKPFPRAP 0.19
22 HMKPIRRAP 0.2
23 RMKKFRRAP 0.21
24 HHKPFRRAP 0.21
25 HHKRFRRAP 0.21
26 KMKRIRRAP 0.22
27 HMKRFRYAP 0.22
28 KMKPIRRAP 0.22
29 HMKPFRYAP 0.23
30 HMRPFRRAP 0.23
31 HMRRFRRAP 0.23
32 KHKRFRRAP 0.23
33 RMKRIRRAP 0.24
34 KHKPFRRAP 0.24
35 KMKRFRYAP 0.25
36 KMRRFRRAP 0.25
37 RMKPIRRAP 0.25
38 KMKPFRYAP 0.25
39 HMKRMPRAP 0.25
40 KMRPFRRAP 0.26
41 HMKPMPRAP 0.26
42 RHKPFRRAP 0.26
43 RHKRFRRAP 0.26
44 KMKRMPRAP 0.27
45 RMKRFRYAP 0.27
46 KMKPMPRAP 0.28
47 HMKKMRRAP 0.28
48 RMRPFRRAP 0.28
49 RMKPFRYAP 0.28
50 RMRRFRRAP 0.28
51 HMKKFPRAP 0.29
52 KMKKMRRAP 0.3
53 RMKRMPRAP 0.3
54 KMKKFPRAP 0.31
55 RMKPMPRAP 0.31
56 HMKPIPRAP 0.33
57 RMKKMRRAP 0.33
58 HMKRIPRAP 0.33
59 HHKRMRRAP 0.33
60 HHKPMRRAP 0.33
61 HHKPFPRAP 0.34
62 HHKRFPRAP 0.34
63 RMKKFPRAP 0.34
64 HMKRMRYAP 0.34
65 HMKRFFRAP 0.34
66 KMKPIPRAP 0.35
67 KHKRMRRAP 0.35
68 HMKKIRRAP 0.35
69 HMRPMRRAP 0.35
70 KMKRIPRAP 0.35
71 HMKRFPYAP 0.35
72 HMRRMRRAP 0.35
73 HMKPFFRAP 0.35
74 HMKPMRYAP 0.35
75 HMKPFPYAP 0.36
76 KHKRFPRAP 0.36
77 HMRRFPRAP 0.36
78 HMRPFPRAP 0.36
79 HHKKFRRAP 0.36
80 KHKPMRRAP 0.36
81 KMKRFFRAP 0.36
82 KMRRMRRAP 0.37
83 KMKKIRRAP 0.37
84 KMKRMRYAP 0.37
85 KHKPFPRAP 0.37
86 KMKPMRYAP 0.37
87 KMKPFFRAP 0.37
88 KMKRFPYAP 0.38
89 RMKRIPRAP 0.38
90 HMRKFRRAP 0.38
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KMKRMRRAP

3.71

-6.94

-3.23
2 RMKRMRRAP

3.13

-4.73

-1.6
3 HMKPMRRAP

3.32

-4.82

-1.5
4 KMKPIRRAP

2.64

-4.12

-1.48
5 KMKRIRRAP

3.59

-5.06

-1.47
6 KMKRFRRAP

3.29

-4.62

-1.33
7 RMKPMRRAP

2.97

-4.11

-1.14
8 HMKRFRYAP

3.08

-4.18

-1.1
9 HMKRMRRAP

3.14

-4.22

-1.08
10 KMKPFPRAP

3.01

-4.02

-1.01
11 KMKPFRRAP

3.34

-4.21

-0.87
12 HMKRIRRAP

2.9

-3.74

-0.84
13 HMRPFRRAP

3.04

-3.66

-0.62
14 RMKRFRRAP

2.22

-2.7

-0.48
15 KMKKFRRAP

3.73

-4.03

-0.3
16 HMKRFPRAP

2.92

-3.21

-0.29
17 HMKPFRYAP

3.17

-3.38

-0.21
18 RMKPFPRAP

2.73

-2.92

-0.19
19 HMKPIRRAP

3.22

-3.33

-0.11
20 KMKRFPRAP

4.07

-4.15

-0.08
21 HHKPFRRAP

3.36

-3.42

-0.06
22 RMKKFRRAP

4.12

-4.17

-0.05
23 KMKPMRRAP

2.82

-2.68

0.14
24 RMKRFPRAP

2.83

-2.61

0.22
25 HMKPFPRAP

2.86

-2.54

0.32
26 HMKRFRRAP

2.56

-2.22

0.34
27 RMKPFRRAP

3.03

-2.65

0.38
28 HHKRFRRAP

2.86

-2.33

0.53
29 HMKKFRRAP

2.91

-2.33

0.58
30 HMKPFRRAP

3.64

-2.61

1.03

 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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