Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1OV32-4.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 5.077 ΔGbinding 10.786
TOTAL
 15.863
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.701
Van der Waals -4.119 Backbone clash 0.014
Electrostatics -0.216 Helix dipole 0.000
Solvation Polar 3.958 Water bridges -0.011
Solvation Hyd -6.287 Disulfide 0.000
VdW clashes 13.880 Electrost. Kon -0.223
Entropy sc 0.656 Part.cov.bonds 0.000
Entropy mc

2.446

 ΔGstability

72.969
       

Predicted ligand sequences for model [FUS1_1OV32-4.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_1OV32-4.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRPRRPRPRR 0.0
2 RRPRPPRPRR 0.1
3 RRPRRPRHRR 0.18
4 RRWRRPRPRR 0.24
5 RRPRPPRHRR 0.28
6 RRPRRPRRRR 0.32
7 RRWRPPRPRR 0.34
8 RRPRKPRPRR 0.34
9 RRPRRPRKRR 0.35
10 RRPRRPRSRR 0.36
11 RRPRIPRPRR 0.39
12 RRPRLPRPRR 0.41
13 RRWRRPRHRR 0.42
14 RRPRPPRRRR 0.42
15 RRRRRPRPRR 0.44
16 RRFRRPRPRR 0.44
17 RRPRPPRKRR 0.45
18 RRYRRPRPRR 0.45
19 RRPRPPRSRR 0.46
20 RRWRPPRHRR 0.52
21 RRPRKPRHRR 0.53
22 RRFRPPRPRR 0.54
23 RRRRPPRPRR 0.54
24 RRYRPPRPRR 0.55
25 RRWRRPRRRR 0.56
26 RRPRIPRHRR 0.57
27 RRWRKPRPRR 0.58
28 RRWRRPRKRR 0.59
29 RRPRLPRHRR 0.6
30 RRWRRPRSRR 0.6
31 RRRRRPRHRR 0.62
32 RRWRIPRPRR 0.62
33 RRYRRPRHRR 0.63
34 RRFRRPRHRR 0.63
35 RRWRLPRPRR 0.65
36 RRWRPPRRRR 0.66
37 RRPRKPRRRR 0.66
38 RRPRKPRKRR 0.69
39 RRWRPPRKRR 0.69
40 RRPRIPRRRR 0.7
41 RRPRKPRSRR 0.7
42 RRWRPPRSRR 0.7
43 RRRRPPRHRR 0.72
44 RRPRIPRKRR 0.73
45 RRFRPPRHRR 0.73
46 RRYRPPRHRR 0.73
47 RRPRLPRRRR 0.73
48 RRPRIPRSRR 0.75
49 RRRRRPRRRR 0.75
50 RRPRLPRKRR 0.76
51 RRWRKPRHRR 0.76
52 RRFRRPRRRR 0.76
53 RRYRRPRRRR 0.77
54 RRRRKPRPRR 0.78
55 RRPRLPRSRR 0.78
56 RRRRRPRKRR 0.78
57 RRFRKPRPRR 0.79
58 RRYRKPRPRR 0.79
59 RRFRRPRKRR 0.79
60 RRYRRPRKRR 0.8
61 RRFRRPRSRR 0.8
62 RRRRRPRSRR 0.8
63 RRWRIPRHRR 0.81
64 RRYRRPRSRR 0.81
65 RRRRIPRPRR 0.82
66 RRYRIPRPRR 0.83
67 RRFRIPRPRR 0.83
68 RRWRLPRHRR 0.84
69 RRRRLPRPRR 0.85
70 RRRRPPRRRR 0.85
71 RRFRPPRRRR 0.86
72 RRYRLPRPRR 0.86
73 RRFRLPRPRR 0.86
74 RRYRPPRRRR 0.87
75 RRFRPPRKRR 0.89
76 RRRRPPRKRR 0.89
77 RRYRPPRKRR 0.9
78 RRWRKPRRRR 0.9
79 RRRRPPRSRR 0.9
80 RRFRPPRSRR 0.91
81 RRYRPPRSRR 0.91
82 RRWRKPRKRR 0.93
83 RRWRIPRRRR 0.94
84 RRWRKPRSRR 0.94
85 RRRRKPRHRR 0.96
86 RRWRIPRKRR 0.97
87 RRFRKPRHRR 0.97
88 RRYRKPRHRR 0.97
89 RRWRLPRRRR 0.97
90 RRWRIPRSRR 0.99
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRPRRPRRRR

4.05

-12.2

-8.15
2 RRFRRPRPRR

3.58

-10.86

-7.28
3 RRWRRPRKRR

3.96

-11.19

-7.23
4 RRWRRPRSRR

3.52

-10.49

-6.97
5 RRWRRPRRRR

3.69

-9.89

-6.2
6 RRPRPPRRRR

4.09

-10.13

-6.04
7 RRPRLPRPRR

3.45

-9.42

-5.97
8 RRWRRPRPRR

3.68

-9.58

-5.9
9 RRWRRPRHRR

3.74

-9.57

-5.83
10 RRPRRPRSRR

4.17

-9.72

-5.55
11 RRRRRPRPRR

3.99

-9.41

-5.42
12 RRYRRPRPRR

3.65

-9.05

-5.4
13 RRPRPPRKRR

3.58

-8.95

-5.37
14 RRWRPPRPRR

3.73

-9.05

-5.32
15 RRWRKPRPRR

3.68

-8.89

-5.21
16 RRPRPPRPRR

3.85

-8.86

-5.01
17 RRPRLPRHRR

3.11

-7.68

-4.57
18 RRPRKPRPRR

3.61

-8.11

-4.5
19 RRPRRPRHRR

4.84

-9.2

-4.36
20 RRPRIPRPRR

3.53

-7.77

-4.24
21 RRYRPPRPRR

4.08

-8.25

-4.17
22 RRPRRPRKRR

3.79

-7.95

-4.16
23 RRFRPPRPRR

3.4

-7.22

-3.82
24 RRPRRPRPRR

4.97

-8.39

-3.42
25 RRPRPPRSRR

3.58

-6.87

-3.29
26 RRWRPPRHRR

3.85

-5.83

-1.98
27 RRPRIPRHRR

3.64

-5.45

-1.81
28 RRPRKPRHRR

3.5

-4.9

-1.4
29 RRRRPPRPRR

4.92

-5.91

-0.99
30 RRPRPPRHRR

4.1

-3.63

0.47

 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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