Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1PWT-21.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
G
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 1.320 ΔGbinding -1.101
TOTAL
 0.219
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.242
Van der Waals -1.970 Backbone clash 0.098
Electrostatics 0.039 Helix dipole 0.000
Solvation Polar 2.300 Water bridges -0.041
Solvation Hyd -2.971 Disulfide 0.000
VdW clashes 0.383 Electrost. Kon 0.010
Entropy sc 0.434 Part.cov.bonds 0.000
Entropy mc

1.749

 ΔGstability

97.346
       

Predicted ligand sequences for model [FUS1_1PWT-21.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_1PWT-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 EWRFGRPTWH 0.0
2 EWKFGRPTWH 0.06
3 EFRFGRPTWH 0.07
4 ERRFGRPTWH 0.1
5 EFKFGRPTWH 0.13
6 ERKFGRPTWH 0.16
7 EWRFGRPTFH 0.28
8 EWRFGRPTMH 0.34
9 EWKFGRPTFH 0.34
10 EWRFGRTTWH 0.35
11 EFRFGRPTFH 0.35
12 ERRFGRPTFH 0.38
13 EWKFGRPTMH 0.4
14 EWRFQRPTWH 0.4
15 EWKFGRTTWH 0.41
16 EFRFGRPTMH 0.41
17 EFKFGRPTFH 0.41
18 EFRFGRTTWH 0.42
19 ERKFGRPTFH 0.44
20 EWRFGRETWH 0.44
21 ERRFGRPTMH 0.44
22 EWKFQRPTWH 0.46
23 ERRFGRTTWH 0.46
24 EFKFGRPTMH 0.47
25 EFRFQRPTWH 0.47
26 EFKFGRTTWH 0.48
27 ERRFQRPTWH 0.5
28 EWKFGRETWH 0.5
29 ERKFGRPTMH 0.5
30 EFRFGRETWH 0.51
31 ERKFGRTTWH 0.52
32 EFKFQRPTWH 0.53
33 ERRFGRETWH 0.54
34 ERKFQRPTWH 0.56
35 EFKFGRETWH 0.57
36 ERKFGRETWH 0.6
37 EWRFGRTTFH 0.63
38 EWRFQRPTFH 0.67
39 EWRFGRTTMH 0.69
40 EWKFGRTTFH 0.69
41 EFRFGRTTFH 0.7
42 EWRFGRETFH 0.72
43 EWRFQRPTMH 0.73
44 EWKFQRPTFH 0.73
45 ERRFGRTTFH 0.73
46 EFRFQRPTFH 0.74
47 EWKFGRTTMH 0.75
48 EWRFQRTTWH 0.75
49 EFKFGRTTFH 0.76
50 EFRFGRTTMH 0.76
51 ERRFQRPTFH 0.77
52 EWRFGRETMH 0.78
53 EWKFGRETFH 0.78
54 EWKFQRPTMH 0.79
55 ERRFGRTTMH 0.79
56 EFRFGRETFH 0.79
57 ERKFGRTTFH 0.79
58 EFKFQRPTFH 0.8
59 EFRFQRPTMH 0.8
60 EWKFQRTTWH 0.81
61 EFKFGRTTMH 0.82
62 EFRFQRTTWH 0.82
63 ERRFGRETFH 0.82
64 ERKFQRPTFH 0.83
65 ERRFQRPTMH 0.83
66 EWKFGRETMH 0.84
67 EWRFQRETWH 0.84
68 EFRFGRETMH 0.85
69 ERKFGRTTMH 0.85
70 EFKFGRETFH 0.85
71 ERRFQRTTWH 0.85
72 EFKFQRPTMH 0.86
73 EFKFQRTTWH 0.88
74 ERKFGRETFH 0.88
75 ERRFGRETMH 0.88
76 ERKFQRPTMH 0.89
77 EWKFQRETWH 0.9
78 EFKFGRETMH 0.91
79 EFRFQRETWH 0.91
80 ERKFQRTTWH 0.91
81 ERKFGRETMH 0.94
82 ERRFQRETWH 0.94
83 EFKFQRETWH 0.97
84 ERKFQRETWH 1.0
85 EWRFQRTTFH 1.03
86 EWRFQRTTMH 1.08
87 EWKFQRTTFH 1.09
88 EFRFQRTTFH 1.1
89 EWRFQRETFH 1.11
90 ERRFQRTTFH 1.13
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 ERKFGRPTMH

3.08

-7.46

-4.38
2 ERRFGRPTMH

3.44

-7.56

-4.12
3 ERRFGRPTWH

2.93

-6.9

-3.97
4 ERRFGRPTFH

3.39

-7.1

-3.71
5 ERRFQRPTWH

4.85

-8.52

-3.67
6 ERKFGRPTFH

3.44

-6.95

-3.51
7 EFRFGRPTFH

4.05

-7.44

-3.39
8 EFRFGRPTMH

4.19

-7.37

-3.18
9 EFKFGRPTMH

3.71

-6.88

-3.17
10 EFKFGRPTFH

3.99

-7.07

-3.08
11 ERRFGRTTWH

2.97

-6.04

-3.07
12 ERKFGRPTWH

3.23

-6.27

-3.04
13 EWKFGRPTMH

4.34

-7.01

-2.67
14 EWKFGRPTFH

5.12

-7.34

-2.22
15 EWRFGRPTFH

5.11

-7.25

-2.14
16 EFKFGRTTWH

3.83

-5.91

-2.08
17 EFRFGRTTWH

4.74

-6.82

-2.08
18 EWKFGRETWH

4.08

-5.74

-1.66
19 EWRFGRTTWH

4.25

-5.86

-1.61
20 EFRFGRPTWH

4.13

-5.52

-1.39
21 EFKFGRPTWH

4.31

-5.46

-1.15
22 EWRFQRPTWH

5.66

-6.77

-1.11
23 EWKFGRPTWH

4.48

-5.45

-0.97
24 EWKFQRPTWH

6.08

-6.77

-0.69
25 EFRFGRETWH

4.01

-4.63

-0.62
26 EWRFGRETWH

4.73

-5.34

-0.61
27 EWKFGRTTWH

4.93

-5.21

-0.28
28 EFRFQRPTWH

6.35

-6.56

-0.21
29 EWRFGRPTWH

5.49

-5.35

0.14
30 EWRFGRPTMH

6.25

-5.46

0.79

 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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