Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1OV32-2.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 4.542 ΔGbinding 10.273
TOTAL
 14.815
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.784
Van der Waals -4.152 Backbone clash 0.041
Electrostatics -0.218 Helix dipole 0.000
Solvation Polar 4.087 Water bridges -0.014
Solvation Hyd -6.323 Disulfide 0.000
VdW clashes 13.324 Electrost. Kon -0.224
Entropy sc 0.643 Part.cov.bonds 0.000
Entropy mc

2.365

 ΔGstability

65.457
       

Predicted ligand sequences for model [FUS1_1OV32-2.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_1OV32-2.PDB  

(data)
# Predicted Sequences Value Calculate
1 RFKRPGRRRR 0.0
2 RFKRRGRRRR 0.03
3 RFKRKGRRRR 0.12
4 RFWRPGRRRR 0.15
5 RFPRPGRRRR 0.15
6 RFRRPGRRRR 0.18
7 RFPRRGRRRR 0.18
8 RFWRRGRRRR 0.18
9 RFRRRGRRRR 0.21
10 RFPRKGRRRR 0.28
11 RFKREGRRRR 0.28
12 RFWRKGRRRR 0.28
13 RFKRPGRKRR 0.3
14 RFRRKGRRRR 0.31
15 RFKRRGRKRR 0.33
16 RFKRKGRKRR 0.42
17 RFWREGRRRR 0.43
18 RFPREGRRRR 0.44
19 RFWRPGRKRR 0.45
20 RFPRPGRKRR 0.45
21 RFKRPGRHRR 0.46
22 RFRREGRRRR 0.46
23 RYKRPGRRRR 0.47
24 RFWRRGRKRR 0.48
25 RFRRPGRKRR 0.48
26 RFPRRGRKRR 0.48
27 RFKRRGRHRR 0.49
28 RYKRRGRRRR 0.5
29 RFRRRGRKRR 0.51
30 RFWRKGRKRR 0.57
31 RFKREGRKRR 0.58
32 RFKRKGRHRR 0.58
33 RFPRKGRKRR 0.58
34 RYKRKGRRRR 0.59
35 RFPRPGRHRR 0.61
36 RFRRKGRKRR 0.61
37 RFWRPGRHRR 0.61
38 RYWRPGRRRR 0.62
39 RYPRPGRRRR 0.62
40 RFPRRGRHRR 0.64
41 RFWRRGRHRR 0.64
42 RFRRPGRHRR 0.64
43 RYWRRGRRRR 0.65
44 RYPRRGRRRR 0.65
45 RYRRPGRRRR 0.65
46 RFRRRGRHRR 0.67
47 RYRRRGRRRR 0.68
48 RFWRKGRHRR 0.73
49 RFWREGRKRR 0.73
50 RFPREGRKRR 0.74
51 RYWRKGRRRR 0.74
52 RFPRKGRHRR 0.74
53 RFKREGRHRR 0.74
54 RYPRKGRRRR 0.75
55 RYKREGRRRR 0.75
56 RFRREGRKRR 0.76
57 RFRRKGRHRR 0.76
58 RYKRPGRKRR 0.77
59 RYRRKGRRRR 0.77
60 RYKRRGRKRR 0.8
61 RFPREGRHRR 0.89
62 RYKRKGRKRR 0.89
63 RFWREGRHRR 0.89
64 RYWREGRRRR 0.9
65 RYPREGRRRR 0.9
66 RYKRPGRHRR 0.92
67 RYWRPGRKRR 0.92
68 RYPRPGRKRR 0.92
69 RFRREGRHRR 0.92
70 RYRREGRRRR 0.93
71 RYRRPGRKRR 0.95
72 RYWRRGRKRR 0.95
73 RYPRRGRKRR 0.95
74 RYKRRGRHRR 0.95
75 RYRRRGRKRR 0.98
76 RYWRKGRKRR 1.04
77 RYKRKGRHRR 1.05
78 RYPRKGRKRR 1.05
79 RYKREGRKRR 1.05
80 RYRRKGRKRR 1.07
81 RYWRPGRHRR 1.07
82 RYPRPGRHRR 1.08
83 RYWRRGRHRR 1.1
84 RYRRPGRHRR 1.1
85 RYPRRGRHRR 1.11
86 RYRRRGRHRR 1.13
87 RYWRKGRHRR 1.2
88 RYPREGRKRR 1.2
89 RYPRKGRHRR 1.2
90 RYWREGRKRR 1.2
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RFKRPGRRRR

3.32

-10.78

-7.46
2 RFKRKGRRRR

3.69

-10.61

-6.92
3 RYKRRGRRRR

3.41

-10.02

-6.61
4 RFWRKGRRRR

3.11

-9.27

-6.16
5 RFRRKGRRRR

4.1

-9.81

-5.71
6 RFKREGRRRR

3.62

-9.01

-5.39
7 RFPRRGRRRR

4.72

-10.1

-5.38
8 RFRREGRRRR

4.21

-9.43

-5.22
9 RFPRRGRKRR

4.55

-9.67

-5.12
10 RFKRPGRKRR

3.11

-8.22

-5.11
11 RFWREGRRRR

3.8

-8.74

-4.94
12 RFPRPGRRRR

4.32

-9.25

-4.93
13 RFKRRGRKRR

4.45

-9.26

-4.81
14 RFPREGRRRR

4.15

-8.88

-4.73
15 RFWRKGRKRR

3.76

-8.36

-4.6
16 RFWRRGRRRR

3.51

-8.05

-4.54
17 RFPRPGRKRR

4.15

-8.69

-4.54
18 RFRRPGRKRR

3.89

-8.29

-4.4
19 RFRRRGRRRR

4.15

-8.37

-4.22
20 RFWRRGRKRR

3.54

-7.7

-4.16
21 RFPRKGRRRR

4.31

-8.46

-4.15
22 RFKRRGRHRR

4.31

-8.35

-4.04
23 RFRRPGRRRR

3.84

-7.82

-3.98
24 RFKRRGRRRR

3.63

-7.27

-3.64
25 RYKRPGRRRR

4.24

-7.87

-3.63
26 RFRRRGRKRR

4.27

-7.53

-3.26
27 RFWRPGRKRR

3.73

-6.56

-2.83
28 RFWRPGRRRR

3.86

-6.01

-2.15
29 RFKRPGRHRR

4.53

-6.38

-1.85
30 RFKRKGRKRR

3.46

-5.11

-1.65

 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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