Predicted ligand sequences


ADAN-name: 1WLP2.PDB (view again the scoring matrix)

PDB name: [1WLP.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT K Q P P S N P P P R P P A E A R K K
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 6.219 ΔGbinding -12.900
TOTAL
 -6.681
Backbone Hb -0.420 Cis_bond 0.000
Sidechain Hb -0.480 Torsional clash 0.010
Van der Waals -9.970 Backbone clash 1.460
Electrostatics -0.080 Helix dipole 0.000
Solvation Polar 6.720 Water bridges -0.340
Solvation Hyd -14.860 Disulfide 0.000
VdW clashes 0.710 Electrost. Kon -0.020
Entropy sc 2.340 Part.cov.bonds 0.000
Entropy mc

3.510

 ΔGstability

46.910
       

Predicted ligand sequences for template [1WLP2.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).
 
  1WLP2.PDB  

(data)
# Predicted Sequences Value Calculate
1 FEIPRRFPKDQLHRMKHY 0.0
2 FEIPRRFPKDQLHRMKKY 0.0
3 FHIPRMFPKDQLHRMKHY 0.0
4 FHIPRRFPKDQLHRMKHY 0.0
5 FHIPRMFPKDQLRRMKRY 0.0
6 FHIPRRFPKDQLRRMKKY 0.0
7 FHIPRMFPKDQLHRMKRY 0.0
8 FHIPRRFPKDQLHRMKKY 0.0
9 FHIPRMFPKDQLRRMKHY 0.0
10 FAIPRRFPKDQLRRMKHY 0.0
11 FEIPRRFPKDQLRRMKHY 0.0
12 FHIPRRFPKDQLRRMKRY 0.0
13 FHIPRRFPKDQLHRMKRY 0.0
14 FEIPRRFPKDQLRRMKKY 0.0
15 FHIPRRFPKDQLRRMKHY 0.0
16 FAIPRRFPKDQLRRMKRY 0.0
17 FAIPRRFPKDQLHRMKRY 0.0
18 FEIPRRFPKDQLRRMKRY 0.0
19 FEIPRRFPKDQLHRMKRY 0.0
20 FAIPRRFPKDQLHRMKHY 0.0
21 FEIPRRFPKDQLHRMKHF 0.01
22 FHIPRMFPKDQLHRMKHF 0.01
23 FHIPRMFPKDQLGRMKHY 0.01
24 FEIPRMFPKDQLHRMKKY 0.01
25 FAIPRRFPKDQLGRMKRY 0.01
26 FAIPRRFPKDQLGRMKKY 0.01
27 FHIPRRFPKDQLHRMKHF 0.01
28 FEIPRMFPKDQLHRMKRY 0.01
29 FHIPRMFPKDQLRRMKKF 0.01
30 FHIPRMFPKDQLRRMKKY 0.01
31 FAIPRMFPKDQLHRMKKY 0.01
32 FHIPRMFPKDQLRRMKRF 0.01
33 FHIPRRFPKDQLRRMKKF 0.01
34 FHIPRMFPKDQLHRMKRF 0.01
35 FAIPRRFPKDQLHRMKKY 0.01
36 FAIPRMFPKDQLHRMKRY 0.01
37 FHIPRRFPKDQLHRMKKF 0.01
38 FAIPRRFPKDQLGRMKHY 0.01
39 FEIPRMFPKDQLRRMKRY 0.01
40 FHIPRMFPKDQLRRMKHF 0.01
41 FHIPRMFPKDQLHRMKKF 0.01
42 FHIPRMFPKDQLHRMKKY 0.01
43 FAIPRRFPKDQLRRMKHF 0.01
44 FHIPRRFPKDQLRRMKHF 0.01
45 FEIPRMFPKDQLHRMKHY 0.01
46 FAIPRMFPKDQLRRMKHY 0.01
47 FHIPRRFPKDQLGRMKRY 0.01
48 FEIPRRFPKDQLRRMKHF 0.01
49 FHIPRRFPKDQLGRMKKY 0.01
50 FHIPRRFPKDQLRRMKRF 0.01
51 FAIPRMFPKDQLRRMKRY 0.01
52 FAIPRMFPKDQLRRMKKY 0.01
53 FHIPRRFPKDQLHRMKRF 0.01
54 FAIPRMFPKDQLHRMKHY 0.01
55 FAIPRRFPKDQLHRMKRF 0.01
56 FHIPRRFPKDQLGRMKHY 0.01
57 FEIPRMFPKDQLRRMKKY 0.01
58 FAIPRRFPKDQLHRMKKF 0.01
59 FAIPRRFPKDQLRRMKRF 0.01
60 FHIPRMFPKDQLGRMKKY 0.01
61 FEIPRRFPKDQLGRMKHY 0.01
62 FEIPRRFPKDQLRRMKRF 0.01
63 FAIPRRFPKDQLRRMKKF 0.01
64 FHIPRMFPKDQLGRMKRY 0.01
65 FAIPRRFPKDQLHRMKHF 0.01
66 FEIPRMFPKDQLRRMKHY 0.01
67 FEIPRRFPKDQLGRMKRY 0.01
68 FEIPRRFPKDQLGRMKKY 0.01
69 FAIPRRFPKDQLRRMKKY 0.01
70 FEIPRRFPKDQLRRMKKF 0.01
71 FEIPRRFPKDQLHRMKRF 0.01
72 FEIPRRFPKDQLHRMKKF 0.01
73 FAIPRMFPKDQLGRMKKY 0.02
74 FAIPRIFPKDQLHRMKKY 0.02
75 FHIPRIFPKDQLHRMKHY 0.02
76 FHIPRMFPKDQLGRMKHF 0.02
77 FEIPRMFPKDQLHRMKKF 0.02
78 FEIPRIFPKDQLHRMKRY 0.02
79 FAIPRRFPKDQLGRMKRF 0.02
80 FEIPRIFPKDQLHRMKKY 0.02
81 FHIPRIFPKDQLRRMKKY 0.02
82 FAIPRIFPKDQLHRMKRY 0.02
83 FHIPRIFPKDQLRRMKRY 0.02
84 FEIPRMFPKDQLHRMKRF 0.02
85 FAIPRMFPKDQLHRMKKF 0.02
86 FEIPRIFPKDQLRRMKHY 0.02
87 FAIPRIFPKDQLHRMKHY 0.02
88 FAIPRMFPKDQLHRMKHF 0.02
89 FAIPRMFPKDQLHRMKRF 0.02
90 FEIPRMFPKDQLGRMKHY 0.02
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FHIPRRFPKDQLHRMKHF

7.42

-19.2

-11.78
2 FEIPRRFPKDQLHRMKHY

7.02

-18.14

-11.12
3 FEIPRMFPKDQLHRMKRY

7.51

-18.58

-11.07
4 FEIPRRFPKDQLHRMKHF

6.91

-17.91

-11.0
5 FHIPRRFPKDQLRRMKKY

7.83

-18.78

-10.95
6 FHIPRRFPKDQLRRMKRY

7.86

-18.73

-10.87
7 FHIPRRFPKDQLRRMKHY

7.23

-17.98

-10.75
8 FHIPRMFPKDQLHRMKHY

7.88

-18.52

-10.64
9 FEIPRRFPKDQLHRMKRY

7.54

-18.11

-10.57
10 FEIPRMFPKDQLHRMKKY

7.08

-17.58

-10.5
11 FHIPRMFPKDQLRRMKKY

7.43

-17.71

-10.28
12 FHIPRMFPKDQLRRMKKF

7.27

-17.42

-10.15
13 FEIPRRFPKDQLRRMKRY

6.91

-16.99

-10.08
14 FEIPRRFPKDQLRRMKHY

7.1

-17.15

-10.05
15 FAIPRRFPKDQLGRMKKY

6.93

-16.9

-9.97
16 FHIPRRFPKDQLHRMKHY

7.34

-17.22

-9.88
17 FAIPRRFPKDQLRRMKRY

7.45

-17.28

-9.83
18 FHIPRRFPKDQLHRMKRY

7.72

-17.16

-9.44
19 FHIPRMFPKDQLRRMKRY

7.96

-17.2

-9.24
20 FAIPRRFPKDQLGRMKRY

7.85

-16.96

-9.11
21 FAIPRRFPKDQLRRMKHY

7.09

-16.1

-9.01
22 FHIPRRFPKDQLHRMKKY

8.01

-17.01

-9.0
23 FHIPRMFPKDQLHRMKRY

9.02

-17.59

-8.57
24 FAIPRRFPKDQLHRMKHY

7.46

-15.97

-8.51
25 FEIPRRFPKDQLHRMKKY

6.65

-15.01

-8.36
26 FAIPRRFPKDQLHRMKRY

7.63

-15.98

-8.35
27 FHIPRMFPKDQLRRMKHY

7.52

-15.83

-8.31
28 FEIPRRFPKDQLRRMKKY

7.66

-15.96

-8.3
29 FHIPRMFPKDQLGRMKHY

7.35

-14.96

-7.61
30 FHIPRMFPKDQLHRMKHF

7.11

-14.38

-7.27

 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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