Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1SHF-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 3.343 ΔGbinding -0.047
TOTAL
 3.296
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.145
Van der Waals -1.656 Backbone clash 0.059
Electrostatics 0.056 Helix dipole 0.000
Solvation Polar 1.792 Water bridges -0.023
Solvation Hyd -2.392 Disulfide 0.000
VdW clashes 0.274 Electrost. Kon 0.004
Entropy sc 0.045 Part.cov.bonds 0.000
Entropy mc

1.709

 ΔGstability

119.409
       

Predicted ligand sequences for model [FUS1_1SHF-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_1SHF-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 RWRRGIPTFL 0.0
2 KWRRGIPTFL 0.02
3 RWRRGFPTFL 0.04
4 KWRRGFPTFL 0.07
5 RWRRGRPTFL 0.07
6 KWRRGRPTFL 0.09
7 RWIRGIPTFL 0.09
8 RWKRGIPTFL 0.09
9 KWKRGIPTFL 0.11
10 KWIRGIPTFL 0.11
11 RWKRGFPTFL 0.13
12 RWIRGFPTFL 0.13
13 KWIRGFPTFL 0.15
14 KWKRGFPTFL 0.16
15 RWKRGRPTFL 0.16
16 RWIRGRPTFL 0.16
17 RWRRGIPTRL 0.16
18 KWKRGRPTFL 0.18
19 HWRRGIPTFL 0.18
20 KWRRGIPTRL 0.18
21 KWIRGRPTFL 0.18
22 RWRRGFPTRL 0.2
23 KWRRGFPTRL 0.22
24 RWRRGIPTYL 0.22
25 HWRRGFPTFL 0.23
26 RWRRGRPTRL 0.23
27 RWIRGIPTRL 0.24
28 KWRRGIPTYL 0.24
29 RWKRGIPTRL 0.24
30 KWRRGRPTRL 0.25
31 HWRRGRPTFL 0.26
32 RWRRGFPTYL 0.26
33 KWKRGIPTRL 0.27
34 HWIRGIPTFL 0.27
35 HWKRGIPTFL 0.27
36 KWIRGIPTRL 0.27
37 RWKRGFPTRL 0.29
38 RWIRGFPTRL 0.29
39 RWRRGRPTYL 0.29
40 KWRRGFPTYL 0.29
41 KWRRGRPTYL 0.31
42 KWKRGFPTRL 0.31
43 RWIRGIPTYL 0.31
44 RWKRGIPTYL 0.31
45 KWIRGFPTRL 0.31
46 RWKRGRPTRL 0.32
47 RWIRGRPTRL 0.32
48 HWKRGFPTFL 0.32
49 HWIRGFPTFL 0.32
50 KWIRGIPTYL 0.33
51 RWRRGIPTFR 0.33
52 KWKRGIPTYL 0.33
53 HWRRGIPTRL 0.34
54 HWIRGRPTFL 0.34
55 KWKRGRPTRL 0.34
56 KWIRGRPTRL 0.34
57 KWRRGIPTFR 0.35
58 RWKRGFPTYL 0.35
59 RWRRGITTFL 0.35
60 RWIRGFPTYL 0.35
61 HWKRGRPTFL 0.35
62 RWRRGIPTFM 0.36
63 KWKRGFPTYL 0.37
64 KWIRGFPTYL 0.37
65 KWRRGITTFL 0.38
66 KWRRGIPTFM 0.38
67 RWIRGRPTYL 0.38
68 RWKRGRPTYL 0.38
69 RWRRGFPTFR 0.38
70 HWRRGFPTRL 0.39
71 KWKRGRPTYL 0.4
72 RWRRGFTTFL 0.4
73 KWIRGRPTYL 0.4
74 RWRRGFPTFM 0.4
75 KWRRGFPTFR 0.4
76 HWRRGIPTYL 0.4
77 RWRRGRPTFR 0.4
78 HWRRGRPTRL 0.41
79 RWRLGIPTFL 0.42
80 KWRRGRPTFR 0.42
81 RWIRGIPTFR 0.42
82 KWRRGFPTFM 0.42
83 RWKRGIPTFR 0.42
84 KWRRGFTTFL 0.42
85 HWKRGIPTRL 0.43
86 RWRRGRTTFL 0.43
87 HWIRGIPTRL 0.43
88 RWRRGRPTFM 0.43
89 KWKRGIPTFR 0.44
90 KWIRGIPTFR 0.44
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KWRRGIPTYL

6.77

-7.64

-0.87
2 RWRRGIPTRL

6.65

-7.39

-0.74
3 RWRRGIPTYL

5.77

-6.16

-0.39
4 RWRRGRPTFL

6.37

-6.48

-0.11
5 RWRRGFPTRL

6.27

-6.38

-0.11
6 KWRRGIPTRL

8.06

-8.06

0.0
7 RWRRGRPTRL

6.9

-6.82

0.08
8 RWKRGIPTRL

6.82

-6.69

0.13
9 RWKRGRPTFL

5.45

-5.21

0.24
10 KWRRGIPTFL

6.49

-6.11

0.38
11 KWIRGRPTFL

6.27

-5.79

0.48
12 RWRRGIPTFL

6.03

-5.45

0.58
13 RWKRGIPTFL

6.34

-5.61

0.73
14 KWKRGRPTFL

5.73

-4.92

0.81
15 RWIRGIPTRL

6.54

-5.72

0.82
16 RWIRGRPTFL

6.4

-5.48

0.92
17 KWRRGRPTFL

5.75

-4.79

0.96
18 HWRRGFPTFL

5.76

-4.75

1.01
19 HWRRGIPTFL

5.52

-4.31

1.21
20 KWRRGFPTFL

6.09

-4.85

1.24
21 KWKRGFPTFL

5.81

-4.55

1.26
22 KWRRGRPTRL

6.52

-5.21

1.31
23 KWIRGFPTFL

6.28

-4.89

1.39
24 RWRRGFPTFL

5.99

-4.58

1.41
25 RWIRGFPTFL

5.87

-4.37

1.5
26 KWRRGFPTRL

6.89

-5.32

1.57
27 KWIRGIPTFL

6.16

-4.47

1.69
28 RWKRGFPTFL

6.56

-4.66

1.9
29 RWIRGIPTFL

7.54

-5.29

2.25
30 KWKRGIPTFL

7.7

-4.04

3.66

 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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