Predicted ligand sequences


ADAN-name: 1JEG2.PDB (view again the scoring matrix)

PDB name: [1JEG.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT I P P P L P E R T P E S F I V V E E
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18
poly-Ala
A
 A A
A
A
A
A
A
A
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 8.213 ΔGbinding -6.910
TOTAL
 1.303
Backbone Hb -0.520 Cis_bond 0.000
Sidechain Hb -1.450 Torsional clash 0.480
Van der Waals -9.910 Backbone clash 2.890
Electrostatics -0.500 Helix dipole -0.230
Solvation Polar 9.030 Water bridges -0.730
Solvation Hyd -13.910 Disulfide 0.000
VdW clashes 3.960 Electrost. Kon -0.570
Entropy sc 5.270 Part.cov.bonds 0.000
Entropy mc

2.170

 ΔGstability

40.970
       

Predicted ligand sequences for template [1JEG2.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).
 
  1JEG2.PDB  

(data)
# Predicted Sequences Value Calculate
1 EFDMFLKRTKGLDMIMDK 0.0
2 DFDMFLKRTKGLDMIMDK 0.01
3 EFDMFLKRTKGLDMLMDK 0.01
4 EFDMFLKRTKGLDMIMGK 0.01
5 EFDMFLKRTKGLDMIMEK 0.01
6 DFDMFLKRTKGLDMIMGK 0.02
7 EFDMFLKRTKGLDMLMGK 0.02
8 DFDMFLKRTKGLDMIMEK 0.02
9 DFDMFLKRTKGLDMLMDK 0.02
10 EFDMFLKRTKGLDMLMEK 0.02
11 DFDMFLKRTKGLDMLMGK 0.03
12 DFDMFLKRTKGLDMLMEK 0.03
13 AFDMFLKRTKGLDMIMDK 0.04
14 AFDMFLKRTKGLDMIMEK 0.05
15 AFDMFLKRTKGLDMIMGK 0.05
16 AFDMFLKRTKGLDMLMDK 0.05
17 EFDMFLKRVKGLDMIMDK 0.06
18 AFDMFLKRTKGLDMLMGK 0.06
19 AFDMFLKRTKGLDMLMEK 0.06
20 EFDMFLKRVKGLDMLMDK 0.07
21 DFDMFLKRVKGLDMIMDK 0.07
22 EFDMFLKRVKGLDMLMEK 0.07
23 EFDMFLKRVKGLDMLMGK 0.07
24 EFDMFLKRVKGLDMIMEK 0.07
25 EFDMFLKRVKGLDMIMGK 0.07
26 DFDMFLKRVKGLDMIMEK 0.08
27 DFDMFLKRVKGLDMIMGK 0.08
28 DFDMFLKRVKGLDMLMDK 0.08
29 EFDMFLKRTCGLDMIMDK 0.09
30 DFDMFLKRVKGLDMLMEK 0.09
31 DFDMFLKRVKGLDMLMGK 0.09
32 EFDMFLKRTAGLDMIMDK 0.09
33 EFDMFLKRTAGLDMLMDK 0.1
34 EFDMFLKRTCGLDMIMGK 0.1
35 EFDMFLKRTAGLDMIMEK 0.1
36 EFDMFLKRTAGLDMIMGK 0.1
37 AFDMFLKRVKGLDMIMDK 0.1
38 EFDMFLKRTCGLDMIMEK 0.1
39 DFDMFLKRTAGLDMIMDK 0.1
40 EFDMFLKRTCGLDMLMDK 0.1
41 DFDMFLKRTCGLDMIMDK 0.1
42 EFDMFLKRTKGLNMIMDK 0.1
43 AFDMFLKRVKGLDMLMDK 0.11
44 EFDMFLKRTKGLNMIMEK 0.11
45 EFDMFLKRTAGLDMLMGK 0.11
46 EFDMFLKRTKGLNMIMGK 0.11
47 EFDMFLKRTCGLDMLMGK 0.11
48 DFDMFLKRTAGLDMIMEK 0.11
49 EFDMFLKRTKGLDMIMDI 0.11
50 EFDMFLKRTCGLDMLMEK 0.11
51 DFDMFLKRTAGLDMIMGK 0.11
52 DFDMFLKRTCGLDMIMGK 0.11
53 DFDMFLKRTCGLDMIMEK 0.11
54 DFDMFLKRTCGLDMLMDK 0.11
55 EFDMFLKRTAGLDMLMEK 0.11
56 DFDMFLKRTKGLNMIMDK 0.11
57 DFDMFLKRTAGLDMLMDK 0.11
58 AFDMFLKRVKGLDMIMEK 0.11
59 EFDMFLKRTKGLDMLMDI 0.11
60 AFDMFLKRVKGLDMIMGK 0.11
61 EFDMFLKRTKGLNMLMDK 0.11
62 AFDMFLKRVKGLDMLMGK 0.12
63 DFDMFLKRTCGLDMLMGK 0.12
64 EFDMFLKRTKGLNMLMEK 0.12
65 EFDMFLKRTKGLNMLMGK 0.12
66 DFDMFLKRTKGLDMIMDI 0.12
67 DFDMFLKRTKGLNMLMDK 0.12
68 EFDMFLKRTKGLDMIMGI 0.12
69 EFDMFLKRTKGLDMIMEI 0.12
70 DFDMFLKRTCGLDMLMEK 0.12
71 DFDMFLKRTKGLNMIMEK 0.12
72 DFDMFLKRTAGLDMLMEK 0.12
73 AFDMFLKRVKGLDMLMEK 0.12
74 DFDMFLKRTKGLNMIMGK 0.12
75 DFDMFLKRTAGLDMLMGK 0.12
76 DFDMFLKRTKGLDMIMGI 0.13
77 EFDMFLKRTKGLDMLMGI 0.13
78 DFDMFLKRTKGLDMIMEI 0.13
79 EFDMFLKRTKGLDNIMDK 0.13
80 DFDMFLKRTKGLNMLMGK 0.13
81 EYDMFLKRTKGLDMIMDK 0.13
82 DFDMFLKRTKGLDMLMDI 0.13
83 DFDMFLKRTKGLNMLMEK 0.13
84 EFDMFLKRTKGLDMLMEI 0.13
85 AFDMFLKRTCGLDMIMDK 0.13
86 AFDMFLKRTAGLDMIMDK 0.13
87 EYDMFLKRTKGLDMIMGK 0.14
88 DFDMFLKRTKGLDNIMDK 0.14
89 AFDMFLKRTCGLDMIMGK 0.14
90 AFDMFLKRTCGLDMIMEK 0.14
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 AFDMFLKRTKGLDMIMEK

8.18

-14.3

-6.12
2 DFDMFLKRTKGLDMLMDK

8.19

-14.08

-5.89
3 EFDMFLKRVKGLDMLMEK

7.93

-13.7

-5.77
4 DFDMFLKRVKGLDMLMEK

8.17

-13.64

-5.47
5 EFDMFLKRTKGLDMIMGK

8.52

-13.88

-5.36
6 AFDMFLKRTKGLDMLMDK

7.79

-13.14

-5.35
7 EFDMFLKRVKGLDMIMEK

8.61

-13.77

-5.16
8 EFDMFLKRTCGLDMIMDK

8.04

-13.18

-5.14
9 DFDMFLKRTKGLDMIMDK

7.96

-13.07

-5.11
10 AFDMFLKRTKGLDMLMEK

8.33

-13.39

-5.06
11 DFDMFLKRVKGLDMLMDK

7.7

-12.45

-4.75
12 EFDMFLKRVKGLDMLMGK

7.81

-12.53

-4.72
13 EFDMFLKRVKGLDMLMDK

8.6

-13.31

-4.71
14 EFDMFLKRTKGLDMLMDK

8.08

-12.61

-4.53
15 DFDMFLKRVKGLDMIMDK

9.42

-13.93

-4.51
16 DFDMFLKRTKGLDMIMEK

8.56

-13.05

-4.49
17 DFDMFLKRTKGLDMLMGK

8.86

-12.88

-4.02
18 AFDMFLKRTKGLDMLMGK

8.46

-12.44

-3.98
19 EFDMFLKRTKGLDMIMEK

8.53

-12.49

-3.96
20 DFDMFLKRTKGLDMLMEK

8.78

-12.72

-3.94
21 DFDMFLKRVKGLDMIMEK

8.39

-12.24

-3.85
22 EFDMFLKRTKGLDMIMDK

8.45

-12.22

-3.77
23 EFDMFLKRVKGLDMIMGK

8.34

-12.07

-3.73
24 AFDMFLKRTKGLDMIMDK

8.39

-12.06

-3.67
25 EFDMFLKRTKGLDMLMEK

8.36

-11.89

-3.53
26 DFDMFLKRTKGLDMIMGK

7.87

-11.39

-3.52
27 AFDMFLKRTKGLDMIMGK

8.5

-11.71

-3.21
28 EFDMFLKRVKGLDMIMDK

8.55

-11.72

-3.17
29 EFDMFLKRTKGLDMLMGK

8.64

-11.59

-2.95
30 DFDMFLKRVKGLDMIMGK

9.13

-12.03

-2.9

 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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