Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1FYN-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 2.254 ΔGbinding -0.622
TOTAL
 1.632
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.300
Van der Waals -2.224 Backbone clash 0.074
Electrostatics 0.041 Helix dipole 0.000
Solvation Polar 2.438 Water bridges -0.021
Solvation Hyd -3.401 Disulfide 0.000
VdW clashes 0.488 Electrost. Kon 0.014
Entropy sc 0.460 Part.cov.bonds 0.000
Entropy mc

2.558

 ΔGstability

81.256
       

Predicted ligand sequences for model [FUS1_1FYN-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_1FYN-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 EWRIGRPNWR 0.0
2 EWKIGRPNWR 0.05
3 EWRIRRPNWR 0.09
4 EWRIHRPNWR 0.11
5 EWKIRRPNWR 0.14
6 ERRIGRPNWR 0.15
7 EWKIHRPNWR 0.16
8 ERKIGRPNWR 0.2
9 ERRIRRPNWR 0.24
10 ERRIHRPNWR 0.26
11 ERKIRRPNWR 0.29
12 ERKIHRPNWR 0.31
13 EWRIGRTNWR 0.33
14 EWRIGRENWR 0.33
15 EWKIGRTNWR 0.38
16 EWKIGRENWR 0.38
17 EWRIRRTNWR 0.41
18 EWRIRRENWR 0.42
19 EWRIHRTNWR 0.43
20 EWRIHRENWR 0.44
21 EWKIRRTNWR 0.46
22 EWKIRRENWR 0.47
23 ERRIGRTNWR 0.48
24 EFRIGRPNWR 0.48
25 EWKIHRTNWR 0.48
26 EWKIHRENWR 0.49
27 ERRIGRENWR 0.49
28 EWRIGRPNWW 0.5
29 EFKIGRPNWR 0.53
30 ERKIGRTNWR 0.53
31 ERKIGRENWR 0.54
32 EWKIGRPNWW 0.55
33 ERRIRRENWR 0.57
34 EFRIRRPNWR 0.57
35 ERRIRRTNWR 0.57
36 EFRIHRPNWR 0.58
37 ERRIHRTNWR 0.58
38 EWRIRRPNWW 0.59
39 ERRIHRENWR 0.59
40 EWRIHRPNWW 0.6
41 EFKIRRPNWR 0.62
42 ERKIRRTNWR 0.62
43 ERKIRRENWR 0.63
44 EFKIHRPNWR 0.64
45 ERKIHRTNWR 0.64
46 ERKIHRENWR 0.64
47 EWKIRRPNWW 0.64
48 ERRIGRPNWW 0.65
49 EWKIHRPNWW 0.66
50 ERKIGRPNWW 0.7
51 ERRIRRPNWW 0.74
52 ERRIHRPNWW 0.76
53 ERKIRRPNWW 0.79
54 EFRIGRTNWR 0.8
55 EFRIGRENWR 0.81
56 ERKIHRPNWW 0.81
57 EWRIGRTNWW 0.82
58 EWRIGRENWW 0.83
59 EFKIGRTNWR 0.85
60 EFKIGRENWR 0.86
61 EWKIGRTNWW 0.87
62 EWKIGRENWW 0.88
63 EFRIRRTNWR 0.89
64 EFRIRRENWR 0.9
65 EWRIRRTNWW 0.91
66 EFRIHRTNWR 0.91
67 EFRIHRENWR 0.92
68 EWRIRRENWW 0.92
69 EWRIHRTNWW 0.93
70 EFKIRRTNWR 0.94
71 EWRIHRENWW 0.94
72 EFKIRRENWR 0.95
73 EFKIHRTNWR 0.96
74 EWKIRRTNWW 0.96
75 EWKIRRENWW 0.97
76 EFKIHRENWR 0.97
77 ERRIGRENWW 0.98
78 EWKIHRTNWW 0.98
79 ERRIGRTNWW 0.98
80 EFRIGRPNWW 0.98
81 EWKIHRENWW 0.99
82 EFKIGRPNWW 1.03
83 ERKIGRTNWW 1.03
84 ERKIGRENWW 1.04
85 EFRIRRPNWW 1.06
86 ERRIRRTNWW 1.06
87 ERRIRRENWW 1.07
88 EFRIHRPNWW 1.08
89 ERRIHRTNWW 1.08
90 ERRIHRENWW 1.09
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 ERRIGRTNWR

3.09

-7.86

-4.77
2 ERKIGRPNWR

2.88

-6.54

-3.66
3 ERRIGRENWR

3.03

-6.38

-3.35
4 ERRIGRPNWR

2.86

-5.99

-3.13
5 EWRIGRPNWR

4.85

-7.47

-2.62
6 ERKIGRTNWR

3.72

-6.2

-2.48
7 EWRIRRTNWR

5.73

-8.06

-2.33
8 ERRIHRPNWR

4.74

-7.01

-2.27
9 EWKIGRPNWR

4.96

-7.16

-2.2
10 EFKIGRPNWR

4.7

-6.8

-2.1
11 EWKIGRTNWR

4.86

-6.95

-2.09
12 EWRIGRTNWR

4.5

-6.23

-1.73
13 EWRIHRENWR

5.68

-7.22

-1.54
14 EFRIGRPNWR

3.85

-5.29

-1.44
15 EWRIGRPNWW

4.01

-5.32

-1.31
16 ERRIRRPNWR

5.48

-6.78

-1.3
17 ERKIRRPNWR

5.22

-6.34

-1.12
18 EWKIGRENWR

4.91

-5.87

-0.96
19 EWRIGRENWR

5.46

-6.39

-0.93
20 ERKIHRPNWR

4.57

-5.49

-0.92
21 EWRIRRENWR

6.24

-7.12

-0.88
22 EWKIHRPNWR

5.77

-6.59

-0.82
23 EWKIHRTNWR

5.54

-5.9

-0.36
24 EWRIHRTNWR

5.63

-5.94

-0.31
25 EWKIRRTNWR

5.83

-6.11

-0.28
26 EWKIRRPNWR

6.39

-6.61

-0.22
27 EWKIRRENWR

6.46

-6.4

0.06
28 EWRIRRPNWR

7.07

-6.91

0.16
29 EWKIHRENWR

6.01

-5.8

0.21
30 EWRIHRPNWR

6.87

-6.2

0.67

 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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