Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1SHF-17.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
G
 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 7.625 ΔGbinding -0.903
TOTAL
 6.722
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.083
Van der Waals -3.367 Backbone clash 0.010
Electrostatics 0.419 Helix dipole 0.000
Solvation Polar 3.617 Water bridges -0.048
Solvation Hyd -5.012 Disulfide 0.000
VdW clashes 1.195 Electrost. Kon 0.448
Entropy sc 0.860 Part.cov.bonds 0.000
Entropy mc

2.178

 ΔGstability

123.267
       

Predicted ligand sequences for model [FUS1_1SHF-17.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-17.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRKFYGMWR 0.0
2 RRYFYGMWR 0.02
3 RRLFYGMWR 0.04
4 RRKFYGWWR 0.19
5 RRYFYGWWR 0.21
6 RRKFRGMWR 0.21
7 RRYFRGMWR 0.22
8 RRLFYGWWR 0.23
9 RRKFYGKWR 0.24
10 RRLFRGMWR 0.25
11 RRYFYGKWR 0.26
12 RRKFKGMWR 0.27
13 RRLFYGKWR 0.28
14 RRYFKGMWR 0.29
15 RRKIYGMWR 0.3
16 RRKMYGMWR 0.3
17 RRLFKGMWR 0.31
18 RRYIYGMWR 0.31
19 RRYMYGMWR 0.32
20 RRLIYGMWR 0.33
21 RRLMYGMWR 0.34
22 RRKFRGWWR 0.4
23 RRYFRGWWR 0.41
24 RRLFRGWWR 0.44
25 RRKFYRMWR 0.44
26 RRKFRGKWR 0.45
27 RRKFKGWWR 0.46
28 RRYFYRMWR 0.46
29 RRYFRGKWR 0.47
30 RRLFYRMWR 0.48
31 RRYFKGWWR 0.48
32 RRKMYGWWR 0.49
33 RRLFRGKWR 0.49
34 RRKIYGWWR 0.49
35 RRLFKGWWR 0.5
36 RRKIRGMWR 0.5
37 RRYIYGWWR 0.5
38 RRKMRGMWR 0.51
39 RRYMYGWWR 0.51
40 RRYIRGMWR 0.52
41 RRKFKGKWR 0.52
42 RRLIYGWWR 0.52
43 RRLMYGWWR 0.53
44 RRYMRGMWR 0.53
45 RRLIRGMWR 0.54
46 RRKIYGKWR 0.54
47 RRYFKGKWR 0.54
48 RRLMRGMWR 0.55
49 RRKMYGKWR 0.55
50 RRLFKGKWR 0.56
51 RRYIYGKWR 0.56
52 RRKIKGMWR 0.57
53 RRYMYGKWR 0.57
54 RRKMKGMWR 0.58
55 RRLIYGKWR 0.58
56 RRLMYGKWR 0.59
57 RRYMKGMWR 0.59
58 RRYIKGMWR 0.59
59 RRLIKGMWR 0.61
60 RRLMKGMWR 0.62
61 RRKFYRWWR 0.63
62 RRYFYRWWR 0.65
63 RRKFRRMWR 0.65
64 RRLFYRWWR 0.67
65 RRYFRRMWR 0.67
66 RRLFRRMWR 0.69
67 RRKIRGWWR 0.69
68 RRKFYRKWR 0.69
69 RRKMRGWWR 0.7
70 RRYFYRKWR 0.7
71 RRYIRGWWR 0.71
72 RRLFYRKWR 0.72
73 RRKFKRMWR 0.72
74 RRYMRGWWR 0.72
75 RRYFKRMWR 0.73
76 RRLIRGWWR 0.73
77 RRKIYRMWR 0.74
78 RRKMYRMWR 0.74
79 RRLMRGWWR 0.74
80 RRKIRGKWR 0.75
81 RRLFKRMWR 0.75
82 RRYMYRMWR 0.76
83 RRKMRGKWR 0.76
84 RRKIKGWWR 0.76
85 RRYIYRMWR 0.76
86 RRKMKGWWR 0.77
87 RRYMRGKWR 0.77
88 RRYIRGKWR 0.77
89 RRLMYRMWR 0.78
90 RRYIKGWWR 0.78
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRKFRGMWR

6.21

-10.26

-4.05
2 RRLFRGMWR

6.94

-10.9

-3.96
3 RRYFKGMWR

5.59

-9.31

-3.72
4 RRLFYGKWR

7.28

-10.72

-3.44
5 RRLFKGMWR

6.69

-10.13

-3.44
6 RRLFYGWWR

5.03

-8.4

-3.37
7 RRYFYGWWR

4.48

-7.78

-3.3
8 RRYMYGMWR

5.14

-8.28

-3.14
9 RRKFKGMWR

6.65

-9.76

-3.11
10 RRKFYGMWR

5.61

-8.71

-3.1
11 RRLFRGWWR

5.78

-8.78

-3.0
12 RRYFRGKWR

6.03

-9.01

-2.98
13 RRKFRGWWR

6.17

-9.07

-2.9
14 RRKFYRMWR

7.58

-10.42

-2.84
15 RRYFRGMWR

6.71

-9.35

-2.64
16 RRKFRGKWR

5.82

-8.3

-2.48
17 RRLFYGMWR

6.34

-8.44

-2.1
18 RRLFYRMWR

8.09

-10.11

-2.02
19 RRKFYGKWR

7.22

-9.19

-1.97
20 RRLMYGMWR

6.27

-8.12

-1.85
21 RRYFRGWWR

7.18

-9.03

-1.85
22 RRKFYGWWR

7.23

-8.9

-1.67
23 RRYFYRMWR

7.53

-9.0

-1.47
24 RRYFYGKWR

6.29

-7.75

-1.46
25 RRKIYGMWR

7.01

-7.95

-0.94
26 RRKFKGWWR

6.9

-7.7

-0.8
27 RRKMYGMWR

6.84

-7.03

-0.19
28 RRLIYGMWR

7.1

-6.24

0.86
29 RRYIYGMWR

6.87

-5.75

1.12
30 RRYFYGMWR

6.85

2.91

9.76

 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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