Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1SHF-18.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
G
 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 10.297 ΔGbinding 4.368
TOTAL
 14.665
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.949
Van der Waals -3.095 Backbone clash 0.959
Electrostatics 0.297 Helix dipole 0.000
Solvation Polar 3.692 Water bridges -0.023
Solvation Hyd -4.324 Disulfide 0.000
VdW clashes 2.721 Electrost. Kon 0.302
Entropy sc 0.771 Part.cov.bonds 0.000
Entropy mc

3.079

 ΔGstability

124.956
       

Predicted ligand sequences for model [FUS1_1SHF-18.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-18.PDB  

(data)
# Predicted Sequences Value Calculate
1 RSPWPPIQWR 0.0
2 RSPWKPIQWR 0.06
3 RSPWHPIQWR 0.07
4 RSFWPPIQWR 0.12
5 RSKWPPIQWR 0.14
6 RSFWKPIQWR 0.17
7 RSFWHPIQWR 0.19
8 RSKWKPIQWR 0.2
9 RSKWHPIQWR 0.21
10 RSPWPPIQWK 0.22
11 RSPFPPIQWR 0.23
12 RSPMPPIQWR 0.23
13 RSPWPPIQWY 0.25
14 RSPWPPVQWR 0.27
15 RSPWKPIQWK 0.28
16 RSPMKPIQWR 0.29
17 RSPFKPIQWR 0.29
18 RSPWHPIQWK 0.3
19 RSPFHPIQWR 0.3
20 RSPMHPIQWR 0.3
21 RSPWKPIQWY 0.31
22 RSPWKPVQWR 0.32
23 RSPWPPMQWR 0.33
24 RSPWHPIQWY 0.33
25 RSFWPPIQWK 0.34
26 RSPWHPVQWR 0.34
27 RSFMPPIQWR 0.35
28 RSFFPPIQWR 0.35
29 RSKWPPIQWK 0.36
30 RSFWPPIQWY 0.37
31 RSKMPPIQWR 0.37
32 RSKFPPIQWR 0.37
33 RSPWKPMQWR 0.38
34 RSFWPPVQWR 0.38
35 RSKWPPIQWY 0.39
36 RSFWKPIQWK 0.39
37 RSFMKPIQWR 0.4
38 RSPWHPMQWR 0.4
39 RSFFKPIQWR 0.4
40 RSKWPPVQWR 0.41
41 RSFWHPIQWK 0.41
42 RSPWPPIKWR 0.41
43 RSFFHPIQWR 0.42
44 RSKWKPIQWK 0.42
45 RSFWKPIQWY 0.42
46 RSFMHPIQWR 0.42
47 RSKFKPIQWR 0.43
48 RSKMKPIQWR 0.43
49 RSKWHPIQWK 0.44
50 RSFWPPMQWR 0.44
51 RSFWHPIQWY 0.44
52 RSKFHPIQWR 0.44
53 RSKMHPIQWR 0.44
54 RSFWKPVQWR 0.44
55 RSKWKPIQWY 0.45
56 RSPWPRIQWR 0.45
57 RSPFPPIQWK 0.46
58 RHPWPPIQWR 0.46
59 RSFWHPVQWR 0.46
60 RSPWPPIQHR 0.46
61 RSPMPPIQWK 0.46
62 RSKWKPVQWR 0.46
63 RSKWHPIQWY 0.47
64 RSKWPPMQWR 0.47
65 RSPWKPIKWR 0.47
66 RSPFPPIQWY 0.48
67 RSPMPPIQWY 0.48
68 RSKWHPVQWR 0.48
69 RSPWHPIKWR 0.49
70 RSPWPPVQWK 0.49
71 RSPMPPVQWR 0.5
72 RSFWKPMQWR 0.5
73 RSPFPPVQWR 0.5
74 RSPWKPIQHR 0.51
75 RSPMKPIQWK 0.51
76 RSPFKPIQWK 0.51
77 RSFWHPMQWR 0.51
78 RSPWKRIQWR 0.51
79 RSKWKPMQWR 0.52
80 RHPWKPIQWR 0.52
81 RSPWPPVQWY 0.52
82 RSPWHPIQHR 0.53
83 RSFWPPIKWR 0.53
84 RSPFHPIQWK 0.53
85 RSPWHRIQWR 0.53
86 RSPMHPIQWK 0.53
87 RSPMKPIQWY 0.54
88 RSPFKPIQWY 0.54
89 RHPWHPIQWR 0.54
90 RSKWHPMQWR 0.54
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RSFWKPIQWR

8.51

-8.6

-0.09
2 RSPMKPIQWR

9.85

-9.61

0.24
3 RSKWHPIQWR

10.19

-9.5

0.69
4 RSPWKPIQWR

9.06

-7.67

1.39
5 RSPWKPIQWK

9.88

-8.35

1.53
6 RSKWKPIQWR

8.68

-6.56

2.12
7 RSPWKPVQWR

9.46

-7.18

2.28
8 RSPMHPIQWR

9.4

-7.02

2.38
9 RSPWHPIQWK

8.9

-6.37

2.53
10 RSPWHPIQWR

9.9

-7.18

2.72
11 RSPWHPVQWR

9.78

-7.04

2.74
12 RSPWPPIQWK

8.61

-5.77

2.84
13 RSPWPPMQWR

8.33

-5.43

2.9
14 RSPFPPIQWR

11.6

-8.51

3.09
15 RSPFHPIQWR

9.32

-5.97

3.35
16 RSPWPPVQWR

11.29

-7.74

3.55
17 RSFWPPIQWR

12.68

-8.83

3.85
18 RSFFPPIQWR

11.11

-6.63

4.48
19 RSKWPPIQWK

12.44

-7.69

4.75
20 RSPFKPIQWR

8.26

-3.05

5.21
21 RSPWKPIQWY

10.24

-4.99

5.25
22 RSKWPPIQWR

10.47

-5.13

5.34
23 RSPWHPIQWY

9.96

-4.25

5.71
24 RSFWHPIQWR

9.62

-3.66

5.96
25 RSFMPPIQWR

12.44

-6.29

6.15
26 RSPWPPIQWY

9.48

-3.21

6.27
27 RSPWPPIQWR

13.17

-6.1

7.07
28 RSPMPPIQWR

9.72

-2.58

7.14
29 RSFWPPIQWY

13.3

-3.74

9.56
30 RSFWPPIQWK

13.89

-3.45

10.44

 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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