Predicted ligand sequences (modelled structure)


ADAN-name: PEX13_1JQQ-15.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 2.151 ΔGbinding -0.449
TOTAL
 1.702
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.645
Van der Waals -4.195 Backbone clash 0.266
Electrostatics 0.971 Helix dipole 0.000
Solvation Polar 6.280 Water bridges -0.033
Solvation Hyd -5.749 Disulfide 0.000
VdW clashes 0.307 Electrost. Kon 0.609
Entropy sc 0.844 Part.cov.bonds 0.000
Entropy mc

2.422

 ΔGstability

20.320
       

Predicted ligand sequences for model [PEX13_1JQQ-15.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_1JQQ-15.PDB  

(data)
# Predicted Sequences Value Calculate
1 RWKIIRKKR 0.0
2 RWFIIRKKR 0.01
3 RWWIIRKKR 0.03
4 RWKIIRRKR 0.04
5 RWKIIRKKM 0.04
6 RWFIIRKKM 0.05
7 RWFIIRRKR 0.05
8 RWWIIRRKR 0.07
9 RWKIRRKKR 0.07
10 RWWIIRKKM 0.07
11 RWKIIRRKM 0.08
12 RWFIRRKKR 0.08
13 RWWIRRKKR 0.09
14 RWFIIRRKM 0.09
15 RWKIRRRKR 0.11
16 RWWIIRRKM 0.11
17 RWKIRRKKM 0.11
18 RWFIRRKKM 0.12
19 RWFIRRRKR 0.12
20 RWKIIRKIR 0.13
21 RWFIIRKIR 0.13
22 RWWIRRKKM 0.14
23 RWKIKRKKR 0.14
24 RWFIKRKKR 0.14
25 RWWIRRRKR 0.14
26 RWKIRRRKM 0.15
27 RWWIIRKIR 0.15
28 RWKIIRLKR 0.16
29 RWWIKRKKR 0.16
30 RWFIRRRKM 0.16
31 RWKIIRKIM 0.17
32 RWKIIRRIR 0.17
33 RWFIIRRIR 0.17
34 RWFIIRLKR 0.17
35 RWFIIRKIM 0.17
36 RWKIKRRKR 0.18
37 RWFIKRKKM 0.18
38 RWKIKRKKM 0.18
39 RWWIRRRKM 0.18
40 RWFIKRRKR 0.18
41 RWWIIRLKR 0.18
42 RWWIIRKIM 0.19
43 RWWIIRRIR 0.19
44 RWKIIRLKM 0.2
45 RWFIRRKIR 0.2
46 RWKIRRKIR 0.2
47 RWWIKRKKM 0.2
48 RWWIKRRKR 0.2
49 RWKIIRRIM 0.21
50 RWFIIRLKM 0.21
51 RWFIIRRIM 0.21
52 RWKIKRRKM 0.22
53 RWKRIRKKR 0.22
54 RWFIKRRKM 0.22
55 RWWIRRKIR 0.22
56 RWFRIRKKR 0.23
57 RWKIRRLKR 0.23
58 RWWIIRRIM 0.23
59 RWWIIRLKM 0.23
60 RWFIRRRIR 0.24
61 RWFIRRKIM 0.24
62 RWKIRRRIR 0.24
63 RWKIRRKIM 0.24
64 RWWIKRRKM 0.24
65 RWFIRRLKR 0.24
66 RWWRIRKKR 0.25
67 RWWIRRLKR 0.25
68 RWWIRRRIR 0.26
69 RWKIKRKIR 0.26
70 RWWIRRKIM 0.26
71 RWFRIRKKM 0.27
72 RWFRIRRKR 0.27
73 RWKRIRKKM 0.27
74 RWKRIRRKR 0.27
75 RWKIRRLKM 0.27
76 RWFIKRKIR 0.27
77 RWFIRRRIM 0.28
78 RWKIRRRIM 0.28
79 RWFIRRLKM 0.28
80 RWWRIRKKM 0.29
81 RWKRRRKKR 0.29
82 RWWRIRRKR 0.29
83 RWWIRRLKM 0.29
84 RWWIKRKIR 0.29
85 RWFIIRLIR 0.29
86 RWKIKRLKR 0.29
87 RWKIIRLIR 0.29
88 RWFIKRLKR 0.3
89 RWFRRRKKR 0.3
90 RWWIRRRIM 0.3
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RWWIIRRKR

1.33

-11.54

-10.21
2 RWFIIRRKM

1.89

-11.59

-9.7
3 RWKIRRRKR

1.2

-10.51

-9.31
4 RWKIIRLKR

1.82

-11.12

-9.3
5 RWKIRRRKM

1.44

-10.65

-9.21
6 RWWIRRRKR

1.65

-10.81

-9.16
7 RWKIIRKKR

1.26

-10.37

-9.11
8 RWKIIRRKM

1.11

-10.08

-8.97
9 RWFIRRRKR

1.52

-10.49

-8.97
10 RWFIIRRKR

2.14

-11.02

-8.88
11 RWKIKRKKR

1.29

-10.1

-8.81
12 RWFIRRKKR

1.52

-10.3

-8.78
13 RWFIRRRKM

1.46

-10.12

-8.66
14 RWKIRRKKM

1.49

-10.09

-8.6
15 RWWIRRKKR

1.84

-10.4

-8.56
16 RWWIRRKKM

1.14

-9.68

-8.54
17 RWKIIRRKR

1.73

-10.21

-8.48
18 RWFIKRKKR

1.74

-10.1

-8.36
19 RWKIRRKKR

2.06

-10.4

-8.34
20 RWFIIRKKR

2.3

-10.61

-8.31
21 RWWIKRKKR

1.76

-10.0

-8.24
22 RWFIIRKKM

1.29

-9.52

-8.23
23 RWKIIRKIR

1.63

-9.84

-8.21
24 RWFIRRKKM

1.47

-9.63

-8.16
25 RWWIIRRKM

2.03

-10.15

-8.12
26 RWFIIRKIR

1.99

-10.05

-8.06
27 RWKIIRKKM

1.71

-9.33

-7.62
28 RWWIIRKKM

2.17

-9.7

-7.53
29 RWWIIRKKR

2.63

-9.82

-7.19
30 RWWIIRKIR

2.81

-9.96

-7.15

 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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