Predicted ligand sequences (modelled structure)


ADAN-name: PIN3_1ZX6-15.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 2.405 ΔGbinding 0.467
TOTAL
 2.872
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.552
Van der Waals -2.721 Backbone clash 0.091
Electrostatics 0.097 Helix dipole 0.000
Solvation Polar 2.920 Water bridges 0.000
Solvation Hyd -3.989 Disulfide 0.000
VdW clashes 0.080 Electrost. Kon 0.105
Entropy sc 0.252 Part.cov.bonds 0.000
Entropy mc

3.170

 ΔGstability

9.586
       

Predicted ligand sequences for model [PIN3_1ZX6-15.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).
 
  PIN3_1ZX6-15.PDB  

(data)
# Predicted Sequences Value Calculate
1 RWFRIRKMM 0.0
2 RWFRIRKIM 0.01
3 RWWRIRKMM 0.01
4 RWWRIRKIM 0.02
5 RWPRIRKIM 0.04
6 RWPRIRKMM 0.04
7 RWFRIRRMM 0.05
8 RWFRIRRIM 0.06
9 RWWRIRRMM 0.06
10 RWFRIRKKM 0.06
11 RWFRIRLMM 0.07
12 RWWRIRKKM 0.07
13 RWWRIRRIM 0.07
14 RWFRIRLIM 0.08
15 RWWRIRLMM 0.08
16 RWWRIRLIM 0.09
17 RWPRIRRMM 0.09
18 RWPRIRKKM 0.1
19 RWPRIRRIM 0.1
20 RWPRIRLMM 0.11
21 RWFRIRRKM 0.11
22 RWWRIRRKM 0.12
23 RWPRIRLIM 0.12
24 RWFRIRLKM 0.13
25 RWWRIRLKM 0.14
26 RWFRMRKMM 0.15
27 RWFRMRKIM 0.15
28 RWPRIRRKM 0.15
29 RWWRMRKIM 0.16
30 RWWRMRKMM 0.16
31 RWPRIRLKM 0.17
32 RWPRMRKIM 0.19
33 RWPRMRKMM 0.19
34 RWFRMRRIM 0.2
35 RWFRMRRMM 0.2
36 RWWRMRRMM 0.21
37 RWWRMRRIM 0.21
38 RWFRMRKKM 0.21
39 RWFRMRLMM 0.22
40 RWFRMRLIM 0.22
41 RWWRMRKKM 0.22
42 RWWRMRLMM 0.23
43 RWPRMRRIM 0.24
44 RWPRMRRMM 0.24
45 RWWRMRLIM 0.24
46 RWPRMRKKM 0.25
47 RWPRMRLIM 0.26
48 RWPRMRLMM 0.26
49 RWFRMRRKM 0.26
50 RWWRMRRKM 0.27
51 RWFRMRLKM 0.28
52 RWWRMRLKM 0.29
53 RWPRMRRKM 0.3
54 RWPRMRLKM 0.32
55 RWFRKRKMM 0.33
56 RWFRKRKIM 0.34
57 RWWRKRKMM 0.34
58 RWFRIRKMV 0.35
59 RWWRKRKIM 0.35
60 RWFRIRKIV 0.36
61 RWPRKRKMM 0.37
62 RWWRIRKMV 0.37
63 RWWRIRKIV 0.37
64 RWFRKRRMM 0.38
65 RWPRKRKIM 0.38
66 RWPRIRKMV 0.39
67 RWFRKRKKM 0.39
68 RWFRKRRIM 0.39
69 RWFRKRLMM 0.4
70 RWWRKRKKM 0.4
71 RWPRIRKIV 0.4
72 RWWRKRRIM 0.4
73 RWWRKRRMM 0.4
74 RWFRIRRMV 0.41
75 RWFRIRRIV 0.41
76 RWFRIRKKV 0.41
77 RWFRKRLIM 0.41
78 RWWRKRLMM 0.42
79 RWWRKRLIM 0.42
80 RWWRIRRIV 0.42
81 RWWRIRRMV 0.42
82 RWPRKRRMM 0.42
83 RWWRIRKKV 0.43
84 RWFRIRLMV 0.43
85 RWPRKRRIM 0.43
86 RWFRIRLIV 0.43
87 RWPRKRKKM 0.43
88 RWFRKRRKM 0.44
89 RWWRIRLMV 0.44
90 RWWRIRLIV 0.44
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RWWRIRRKM

1.4

-11.16

-9.76
2 RWFRIRRMM

1.11

-10.82

-9.71
3 RWFRIRKKM

0.79

-10.05

-9.26
4 RWWRIRRIM

1.2

-10.31

-9.11
5 RWPRIRKKM

1.47

-10.37

-8.9
6 RWFRMRKIM

2.0

-10.62

-8.62
7 RWPRIRRKM

1.26

-9.85

-8.59
8 RWWRIRKMM

1.1

-9.66

-8.56
9 RWPRIRLIM

1.3

-9.73

-8.43
10 RWFRIRRKM

0.89

-9.17

-8.28
11 RWFRIRLMM

1.04

-9.24

-8.2
12 RWWRIRKIM

0.78

-8.97

-8.19
13 RWFRIRLIM

0.98

-8.92

-7.94
14 RWWRIRLIM

1.3

-9.03

-7.73
15 RWPRIRLMM

1.47

-9.14

-7.67
16 RWPRIRKMM

0.79

-7.94

-7.15
17 RWFRIRRIM

0.9

-7.44

-6.54
18 RWFRMRKMM

1.36

-7.86

-6.5
19 RWFRIRKMM

0.93

-7.38

-6.45
20 RWPRIRKIM

0.87

-7.06

-6.19
21 RWPRIRRMM

0.86

-7.01

-6.15
22 RWPRIRRIM

1.09

-7.19

-6.1
23 RWWRIRRMM

1.17

-7.16

-5.99
24 RWFRIRKIM

0.92

-6.78

-5.86
25 RWWRIRLKM

0.88

-5.92

-5.04
26 RWWRIRLMM

1.2

-6.15

-4.95
27 RWFRIRLKM

0.89

-5.71

-4.82
28 RWWRMRKMM

0.74

-5.36

-4.62
29 RWWRIRKKM

0.96

-4.91

-3.95
30 RWWRMRKIM

1.66

-5.07

-3.41

 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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