Predicted ligand sequences


ADAN-name: 1F3M2.PDB (view again the scoring matrix)

PDB name: [1F3M.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT V L E F Y N S K K T S N S Q K Y M S F T
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
poly-Ala A
A
 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 7.840 ΔGbinding -32.113
TOTAL
 -24.273
Backbone Hb -4.962 Cis_bond 0.000
Sidechain Hb -8.138 Torsional clash 1.921
Van der Waals -19.093 Backbone clash 1.560
Electrostatics -4.795 Helix dipole 0.029
Solvation Polar 18.647 Water bridges -0.127
Solvation Hyd -29.966 Disulfide 0.000
VdW clashes 1.252 Electrost. Kon -2.375
Entropy sc 8.895 Part.cov.bonds 0.000
Entropy mc

6.599

 ΔGstability

56.567
       

Predicted ligand sequences for template [1F3M2.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).
 
  1F3M2.PDB  

(data)
# Predicted Sequences Value Calculate
1 WWFFWDTMWpIRYFRFMFFQ 0.0
2 WWFFWDTWWpIRYFRFMFFQ 0.02
3 WWFFWDTMWDIRYFRFMFFQ 0.02
4 WWDFWDTMWpIRYFRFMFFQ 0.03
5 WWFFWDTDWpIRYFRFMFFQ 0.03
6 WWFFWDTMWEIRYFRFMFFQ 0.03
7 WWyFWDTMWpIRYFRFMFFQ 0.04
8 WWFMWDTMWpIRYFRFMFFQ 0.04
9 WWDFWDTWWpIRYFRFMFFQ 0.05
10 WWFFWpTMWpIRYFRFMFFQ 0.05
11 WWFFWDTWWDIRYFRFMFFQ 0.05
12 WWFFWDTWWEIRYFRFMFFQ 0.05
13 WWFFWsTMWpIRYFRFMFFQ 0.05
14 WWDFWDTMWDIRYFRFMFFQ 0.05
15 WWDFWDTDWpIRYFRFMFFQ 0.06
16 WWDFWDTMWEIRYFRFMFFQ 0.06
17 WWFFWDTMWpIMYFRFMFFQ 0.06
18 WWFMWDTWWpIRYFRFMFFQ 0.06
19 WWyFWDTMWDIRYFRFMFFQ 0.06
20 WWFFWDTMWpVRYFRFMFFQ 0.06
21 WWFMWDTMWDIRYFRFMFFQ 0.06
22 WWFFWDTDWEIRYFRFMFFQ 0.06
23 WWDMWDTMWpIRYFRFMFFQ 0.06
24 WWyFWDTWWpIRYFRFMFFQ 0.06
25 WWFFWDTDWDIRYFRFMFFQ 0.06
26 WWFFWpTWWpIRYFRFMFFQ 0.07
27 WWFFWsTWWpIRYFRFMFFQ 0.07
28 WWyFWDTDWpIRYFRFMFFQ 0.07
29 WWyMWDTMWpIRYFRFMFFQ 0.07
30 WWFMWDTMWEIRYFRFMFFQ 0.07
31 WWFMWDTDWpIRYFRFMFFQ 0.07
32 WWFFWsTMWDIRYFRFMFFQ 0.07
33 WWyFWDTMWEIRYFRFMFFQ 0.07
34 WWFFWpTMWDIRYFRFMFFQ 0.07
35 WWFFWDTMWDIMYFRFMFFQ 0.08
36 WWDFWDTWWEIRYFRFMFFQ 0.08
37 WWFMWDTWWDIRYFRFMFFQ 0.08
38 WWDFWpTMWpIRYFRFMFFQ 0.08
39 WWDFWDTDWDIRYFRFMFFQ 0.08
40 WWFFWsTDWpIRYFRFMFFQ 0.08
41 WWFFWsTMWEIRYFRFMFFQ 0.08
42 WWFFWDTWWpIMYFRFMFFQ 0.08
43 WWFFWpTMWEIRYFRFMFFQ 0.08
44 WWDFWDTMWpIMYFRFMFFQ 0.08
45 WWFFWDTWWpVRYFRFMFFQ 0.08
46 WWFFWDTMWDVRYFRFMFFQ 0.08
47 WWDFWDTWWDIRYFRFMFFQ 0.08
48 WWyFWDTWWDIRYFRFMFFQ 0.08
49 WWDFWsTMWpIRYFRFMFFQ 0.08
50 WWFFWpTDWpIRYFRFMFFQ 0.08
51 WWFFWDTMWEIMYFRFMFFQ 0.09
52 WWDMWDTMWEIRYFRFMFFQ 0.09
53 WWFFWDTDWpIMYFRFMFFQ 0.09
54 WWFMWsTMWpIRYFRFMFFQ 0.09
55 WWDFWDTDWEIRYFRFMFFQ 0.09
56 WWFFWDTMRpIRYFRFMFFQ 0.09
57 WWyFWpTMWpIRYFRFMFFQ 0.09
58 WWDMWDTWWpIRYFRFMFFQ 0.09
59 WWFMWDTMWpIMYFRFMFFQ 0.09
60 WWFMWDTMWpVRYFRFMFFQ 0.09
61 WWDMWDTMWDIRYFRFMFFQ 0.09
62 WWFFWDTMWpIRYFRFMyFQ 0.09
63 WWyFWDTWWEIRYFRFMFFQ 0.09
64 WWFFWDTDWpVRYFRFMFFQ 0.09
65 WWFFWDTMWEVRYFRFMFFQ 0.09
66 WWyFWDTDWDIRYFRFMFFQ 0.09
67 WWFMWDTWWEIRYFRFMFFQ 0.09
68 WWFMWDTDWDIRYFRFMFFQ 0.09
69 WWDFWDTMWpVRYFRFMFFQ 0.09
70 WWyFWDTMWpIMYFRFMFFQ 0.09
71 WWFMWpTMWpIRYFRFMFFQ 0.09
72 WWyFWDTMWpVRYFRFMFFQ 0.09
73 WWyFWsTMWpIRYFRFMFFQ 0.09
74 WWFFWpTWWDIRYFRFMFFQ 0.1
75 WWyMWDTWWpIRYFRFMFFQ 0.1
76 WWyMWDTMWEIRYFRFMFFQ 0.1
77 WWyFWDTDWEIRYFRFMFFQ 0.1
78 WWFFWsTWWEIRYFRFMFFQ 0.1
79 WWDFWpTWWpIRYFRFMFFQ 0.1
80 WWDFWsTMWDIRYFRFMFFQ 0.1
81 WWDFWpTMWDIRYFRFMFFQ 0.1
82 WWFMWDTDWEIRYFRFMFFQ 0.1
83 WWyMWDTDWpIRYFRFMFFQ 0.1
84 WWFFWDTWWDVRYFRFMFFQ 0.1
85 WWDMWDTDWpIRYFRFMFFQ 0.1
86 WWFFWsTWWDIRYFRFMFFQ 0.1
87 WWFFWDTWWDIMYFRFMFFQ 0.1
88 WWyMWDTMWDIRYFRFMFFQ 0.1
89 WWDFWsTWWpIRYFRFMFFQ 0.1
90 WWFFWpTWWEIRYFRFMFFQ 0.1
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WWFFWpTWWpIRYFRFMFFQ

9.99

-39.11

-29.12
2 WWFFWDTMWDIRYFRFMFFQ

8.39

-36.9

-28.51
3 WWyFWDTWWpIRYFRFMFFQ

10.21

-37.87

-27.66
4 WWFFWsTMWpIRYFRFMFFQ

9.59

-36.88

-27.29
5 WWDMWDTMWpIRYFRFMFFQ

9.64

-36.74

-27.1
6 WWFFWDTMWpIRYFRFMFFQ

10.51

-37.37

-26.86
7 WWFFWDTMWEIRYFRFMFFQ

9.99

-36.51

-26.52
8 WWFFWDTMWpIMYFRFMFFQ

10.07

-36.34

-26.27
9 WWFFWsTWWpIRYFRFMFFQ

10.1

-36.32

-26.22
10 WWyFWDTMWDIRYFRFMFFQ

9.79

-35.73

-25.94
11 WWDFWDTMWDIRYFRFMFFQ

10.05

-35.98

-25.93
12 WWFMWDTMWDIRYFRFMFFQ

9.85

-35.68

-25.83
13 WWFMWDTMWpIRYFRFMFFQ

9.46

-34.95

-25.49
14 WWyMWDTMWpIRYFRFMFFQ

9.81

-34.78

-24.97
15 WWFFWDTDWpIRYFRFMFFQ

8.63

-33.53

-24.9
16 WWFFWpTMWpIRYFRFMFFQ

9.39

-34.24

-24.85
17 WWFFWDTWWEIRYFRFMFFQ

9.83

-34.49

-24.66
18 WWFFWDTDWEIRYFRFMFFQ

9.93

-34.58

-24.65
19 WWFFWDTMWpVRYFRFMFFQ

9.92

-34.55

-24.63
20 WWFFWDTDWDIRYFRFMFFQ

10.79

-34.68

-23.89
21 WWDFWDTMWEIRYFRFMFFQ

9.04

-32.92

-23.88
22 WWyFWDTMWpIRYFRFMFFQ

8.93

-32.74

-23.81
23 WWDFWDTMWpIRYFRFMFFQ

9.34

-33.06

-23.72
24 WWFMWDTMWEIRYFRFMFFQ

11.1

-34.49

-23.39
25 WWDFWDTWWpIRYFRFMFFQ

10.99

-34.28

-23.29
26 WWFMWDTWWpIRYFRFMFFQ

9.87

-33.14

-23.27
27 WWFFWDTWWDIRYFRFMFFQ

12.29

-34.85

-22.56
28 WWDFWDTDWpIRYFRFMFFQ

11.99

-34.5

-22.51
29 WWyFWDTDWpIRYFRFMFFQ

8.6

-30.53

-21.93
30 WWFFWDTWWpIRYFRFMFFQ

10.67

-32.19

-21.52

 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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