Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1FYN-14.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
 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 5.183 ΔGbinding 0.449
TOTAL
 5.632
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.111
Van der Waals -3.054 Backbone clash 0.120
Electrostatics 0.151 Helix dipole 0.000
Solvation Polar 3.291 Water bridges 0.000
Solvation Hyd -4.684 Disulfide 0.000
VdW clashes 1.288 Electrost. Kon 0.128
Entropy sc 0.493 Part.cov.bonds 0.000
Entropy mc

4.000

 ΔGstability

77.600
       

Predicted ligand sequences for model [FUS1_1FYN-14.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-14.PDB  

(data)
# Predicted Sequences Value Calculate
1 FKPWIIEKR 0.0
2 FKPWIIKKR 0.0
3 FKFWIIEKR 0.01
4 FKFWIIKKR 0.01
5 FKPWRIEKR 0.04
6 FKPWRIKKR 0.05
7 FKYWIIKKR 0.05
8 FKFWRIEKR 0.05
9 FKYWIIEKR 0.05
10 FKFWRIKKR 0.06
11 FKPWIIWKR 0.08
12 FKYWRIEKR 0.09
13 FKFWIIWKR 0.09
14 FKYWRIKKR 0.1
15 FKPWIIECR 0.12
16 FKPWIIKCR 0.12
17 FKFWIIECR 0.12
18 FKYWIIWKR 0.13
19 FKFWIIKCR 0.13
20 FKPWRIWKR 0.13
21 FKFWRIWKR 0.14
22 FKPWRIECR 0.16
23 FKYWIIECR 0.16
24 FKPWRIKCR 0.16
25 FKFWRIKCR 0.17
26 FKPWEIEKR 0.17
27 FKFWRIECR 0.17
28 FKPWEIKKR 0.17
29 FKYWIIKCR 0.17
30 FKFWEIKKR 0.18
31 FKFWEIEKR 0.18
32 FKYWRIWKR 0.18
33 FKPWIIWCR 0.2
34 FKYWRIECR 0.21
35 FKYWRIKCR 0.21
36 FKFWIIWCR 0.21
37 FKYWEIEKR 0.22
38 FKYWEIKKR 0.22
39 FKPWRIWCR 0.24
40 FKPFIIEKR 0.24
41 FKFFIIKKR 0.25
42 FKFWRIWCR 0.25
43 FKYWIIWCR 0.25
44 FKPFIIKKR 0.25
45 FKFFIIEKR 0.25
46 FKPWIIELR 0.25
47 FWPWIIEKR 0.25
48 FWPWIIKKR 0.25
49 FKPWEIWKR 0.25
50 FKPWIIEKV 0.26
51 FKFWEIWKR 0.26
52 FWFWIIKKR 0.26
53 FWFWIIEKR 0.26
54 FKPWIIKLR 0.26
55 FKPWIIKKV 0.26
56 FKFWIIELR 0.26
57 FKPWISKKR 0.27
58 FKFWIIKKV 0.27
59 FKPWISEKR 0.27
60 FKFWIIKLR 0.27
61 FKFWIIEKV 0.27
62 FKFWISEKR 0.28
63 FKFWISKKR 0.28
64 FKYFIIKKR 0.29
65 FKYWRIWCR 0.29
66 FWPWRIEKR 0.29
67 FKPWEIECR 0.29
68 FKPFRIEKR 0.29
69 FKPFRIKKR 0.29
70 FKPWEIKCR 0.29
71 FKYFIIEKR 0.29
72 FKFWEIECR 0.3
73 FKPWRIKLR 0.3
74 FWYWIIKKR 0.3
75 FKFFRIKKR 0.3
76 FWFWRIEKR 0.3
77 FKFWEIKCR 0.3
78 FKYWIIKLR 0.3
79 FKPWRIELR 0.3
80 FKYWIIELR 0.3
81 FWYWIIEKR 0.3
82 FWPWRIKKR 0.3
83 FKFFRIEKR 0.3
84 FKYWEIWKR 0.3
85 FKPWRIKKV 0.31
86 FKPWRIEKV 0.31
87 FKYWIIKKV 0.31
88 FKFWRIEKV 0.31
89 FWFWRIKKR 0.31
90 FKFWRIELR 0.31
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FKYWRIEKR

2.57

-5.48

-2.91
2 FKYWRIKKR

3.04

-5.7

-2.66
3 FKPWRIKKR

3.09

-5.71

-2.62
4 FKYWIIEKR

2.49

-5.07

-2.58
5 FKPWRIWKR

3.48

-5.98

-2.5
6 FKYWIIKKR

3.2

-5.64

-2.44
7 FKFWRIECR

2.67

-5.0

-2.33
8 FKFWIIWKR

3.11

-5.38

-2.27
9 FKPWIIWKR

2.94

-5.21

-2.27
10 FKYWIIWKR

2.52

-4.73

-2.21
11 FKFWRIWKR

3.11

-5.32

-2.21
12 FKPWRIKCR

2.91

-5.04

-2.13
13 FKPWIIEKR

2.77

-4.89

-2.12
14 FKPWIIKKR

3.22

-4.98

-1.76
15 FKPWEIKKR

3.09

-4.85

-1.76
16 FKFWRIKCR

2.76

-4.47

-1.71
17 FKPWEIEKR

3.18

-4.84

-1.66
18 FKPWIIKCR

2.94

-4.57

-1.63
19 FKFWIIEKR

4.17

-5.78

-1.61
20 FKPWIIECR

2.36

-3.96

-1.6
21 FKPWRIECR

3.32

-4.84

-1.52
22 FKYWIIECR

3.25

-4.74

-1.49
23 FKFWRIEKR

3.19

-4.58

-1.39
24 FKFWEIKKR

3.0

-4.39

-1.39
25 FKFWRIKKR

4.33

-5.53

-1.2
26 FKFWIIKKR

3.64

-4.5

-0.86
27 FKYWIIKCR

3.41

-4.25

-0.84
28 FKFWIIKCR

3.26

-4.06

-0.8
29 FKFWIIECR

3.56

-3.75

-0.19
30 FKPWRIEKR

5.91

-4.6

1.31

 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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