Predicted ligand sequences (modelled structure)


ADAN-name: PEX13_1N5Z-17.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
G
 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 3.802 ΔGbinding -4.007
TOTAL
 -0.205
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.376
Van der Waals -4.816 Backbone clash 0.099
Electrostatics 0.639 Helix dipole 0.000
Solvation Polar 4.705 Water bridges -0.045
Solvation Hyd -6.995 Disulfide 0.000
VdW clashes 0.511 Electrost. Kon 0.506
Entropy sc 0.767 Part.cov.bonds 0.000
Entropy mc

2.896

 ΔGstability

8.351
       

Predicted ligand sequences for model [PEX13_1N5Z-17.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).
 
  PEX13_1N5Z-17.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPWRRGWWF 0.0
2 FPWRRGRWF 0.03
3 FPWRRGWSF 0.05
4 FPFRRGWWF 0.06
5 FPFRRGRWF 0.08
6 FPWRRGRSF 0.08
7 LPWRRGWWF 0.09
8 FPFRRGWSF 0.11
9 LPWRRGRWF 0.12
10 FPKRRGWWF 0.14
11 FPFRRGRSF 0.14
12 LPWRRGWSF 0.15
13 LPFRRGWWF 0.15
14 FPWRRGKWF 0.16
15 LPFRRGRWF 0.17
16 LPWRRGRSF 0.17
17 FPKRRGRWF 0.17
18 FPKRRGWSF 0.2
19 LPFRRGWSF 0.2
20 FPKRRGRSF 0.22
21 FPWRRGKSF 0.22
22 FPFRRGKWF 0.22
23 FIWRRGWWF 0.23
24 LPFRRGRSF 0.23
25 LPKRRGWWF 0.23
26 MPWRRGWWF 0.26
27 FPWMRGWWF 0.26
28 LPWRRGKWF 0.26
29 FIWRRGRWF 0.26
30 LPKRRGRWF 0.26
31 FPFRRGKSF 0.27
32 FIWRRGWSF 0.29
33 FPWMRGRWF 0.29
34 MPWRRGRWF 0.29
35 FIFRRGWWF 0.29
36 LPKRRGWSF 0.29
37 LPWRRGKSF 0.31
38 FPKRRGKWF 0.31
39 FPWMRGWSF 0.31
40 FIWRRGRSF 0.31
41 LPFRRGKWF 0.31
42 LPKRRGRSF 0.32
43 MPFRRGWWF 0.32
44 FPFMRGWWF 0.32
45 FIFRRGRWF 0.32
46 MPWRRGWSF 0.32
47 LIWRRGWWF 0.33
48 FIFRRGWSF 0.34
49 FPWMRGRSF 0.34
50 FPFMRGRWF 0.34
51 MPWRRGRSF 0.34
52 MPFRRGRWF 0.35
53 LIWRRGRWF 0.35
54 LPWMRGWWF 0.35
55 FPKRRGKSF 0.36
56 LPFRRGKSF 0.36
57 MPFRRGWSF 0.37
58 FPFMRGWSF 0.37
59 FIFRRGRSF 0.37
60 LPWMRGRWF 0.38
61 FIKRRGWWF 0.38
62 LIFRRGWWF 0.38
63 LIWRRGWSF 0.38
64 FIKRRGRWF 0.4
65 FPKMRGWWF 0.4
66 FPFMRGRSF 0.4
67 LPKRRGKWF 0.4
68 MPFRRGRSF 0.4
69 FIWRRGKWF 0.4
70 MPKRRGWWF 0.41
71 LIWRRGRSF 0.41
72 LPFMRGWWF 0.41
73 LPWMRGWSF 0.41
74 LIFRRGRWF 0.41
75 FPWRPGWWF 0.41
76 FFWRRGWWF 0.42
77 FPWMRGKWF 0.42
78 FPKMRGRWF 0.43
79 MPKRRGRWF 0.43
80 FIKRRGWSF 0.43
81 LIFRRGWSF 0.43
82 LPWMRGRSF 0.43
83 MPWRRGKWF 0.43
84 LPFMRGRWF 0.44
85 FPWRPGRWF 0.44
86 FIWRRGKSF 0.45
87 FFWRRGRWF 0.45
88 FIFRRGKWF 0.45
89 LPKRRGKSF 0.45
90 FIKRRGRSF 0.46
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FPFRRGRWF

3.36

-13.65

-10.29
2 MPWRRGWWF

3.69

-13.94

-10.25
3 FPWRRGKWF

2.9

-13.13

-10.23
4 FPWRRGWWF

3.3

-13.47

-10.17
5 FPKRRGRWF

3.12

-13.02

-9.9
6 FPWRRGKSF

3.37

-13.15

-9.78
7 FPWRRGRSF

3.27

-12.88

-9.61
8 LPKRRGRWF

2.85

-12.43

-9.58
9 LPFRRGRSF

3.11

-12.67

-9.56
10 LPWRRGWWF

2.81

-12.3

-9.49
11 FPWRRGRWF

3.37

-12.86

-9.49
12 LPWRRGRWF

3.29

-12.73

-9.44
13 FPFRRGWWF

3.24

-12.61

-9.37
14 LPFRRGWSF

3.26

-12.42

-9.16
15 FPFRRGRSF

3.14

-12.26

-9.12
16 FIWRRGRWF

3.92

-13.0

-9.08
17 LPFRRGRWF

4.0

-13.04

-9.04
18 FPKRRGRSF

3.16

-12.19

-9.03
19 LPWRRGKWF

3.91

-12.78

-8.87
20 LPWRRGRSF

2.95

-11.56

-8.61
21 LPWRRGWSF

3.09

-11.5

-8.41
22 FPKRRGWWF

3.07

-11.31

-8.24
23 FPFRRGKWF

4.36

-12.54

-8.18
24 LPFRRGWWF

3.49

-11.55

-8.06
25 FPWMRGWWF

4.15

-12.08

-7.93
26 LPKRRGWWF

3.94

-11.71

-7.77
27 FPWRRGWSF

3.44

-11.19

-7.75
28 FPFRRGWSF

3.89

-11.22

-7.33
29 FPKRRGWSF

3.31

-10.52

-7.21
30 FIWRRGWWF

4.41

-10.82

-6.41

 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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