Predicted ligand sequences


ADAN-name: 1W9E3.PDB (view again the scoring matrix)

PDB name: [1W9E.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT N E F Y F
position 1 2 3 4 5
poly-Ala 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 4.869 ΔGbinding -13.160
TOTAL
 -8.291
Backbone Hb -9.160 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.150
Van der Waals -9.400 Backbone clash 1.170
Electrostatics -0.510 Helix dipole -0.060
Solvation Polar 12.310 Water bridges -0.720
Solvation Hyd -13.090 Disulfide 0.000
VdW clashes 0.540 Electrost. Kon -0.380
Entropy sc 3.410 Part.cov.bonds 0.000
Entropy mc

3.760

 ΔGstability

0.490
       

Predicted ligand sequences for template [1W9E3.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).
 
  1W9E3.PDB  

(data)
# Predicted Sequences Value Calculate
1 FMFMF 0.0
2 FWFMF 0.15
3 FMMMF 0.16
4 FMLMF 0.27
5 FMFFF 0.27
6 FWMMF 0.31
7 YMFMF 0.36
8 IMFMF 0.4
9 FWLMF 0.42
10 FMMFF 0.43
11 FWFFF 0.43
12 MMFMF 0.43
13 GMFMF 0.44
14 YWFMF 0.51
15 YMMMF 0.52
16 FMLFF 0.54
17 IWFMF 0.56
18 IMMMF 0.56
19 FFFMF 0.56
20 FYFMF 0.57
21 FWMFF 0.58
22 MWFMF 0.58
23 MMMMF 0.58
24 GMMMF 0.59
25 GWFMF 0.59
26 FVFMF 0.6
27 YMLMF 0.63
28 YMFFF 0.63
29 IMLMF 0.67
30 YWMMF 0.67
31 IMFFF 0.68
32 MMLMF 0.69
33 FWLFF 0.69
34 MMFFF 0.7
35 GMLMF 0.7
36 IWMMF 0.71
37 GMFFF 0.71
38 FFMMF 0.72
39 MWMMF 0.73
40 FYMMF 0.73
41 GWMMF 0.74
42 FVMMF 0.75
43 YWFFF 0.78
44 YWLMF 0.78
45 YMMFF 0.79
46 FFFFF 0.83
47 IMMFF 0.83
48 FFLMF 0.83
49 IWLMF 0.83
50 IWFFF 0.83
51 FYLMF 0.84
52 FYFFF 0.84
53 MWLMF 0.85
54 MWFFF 0.85
55 MMMFF 0.85
56 GMMFF 0.86
57 GWFFF 0.86
58 GWLMF 0.86
59 FVLMF 0.86
60 FVFFF 0.87
61 YMLFF 0.9
62 YFFMF 0.92
63 YYFMF 0.93
64 IMLFF 0.94
65 YWMFF 0.94
66 YVFMF 0.95
67 IFFMF 0.96
68 MMLFF 0.97
69 IYFMF 0.97
70 GMLFF 0.98
71 IWMFF 0.99
72 MFFMF 0.99
73 GFFMF 0.99
74 FFMFF 0.99
75 MYFMF 1.0
76 FYMFF 1.0
77 IVFMF 1.0
78 GYFMF 1.01
79 MWMFF 1.01
80 MVFMF 1.02
81 FVMFF 1.02
82 GWMFF 1.02
83 GVFMF 1.03
84 YWLFF 1.05
85 YFMMF 1.07
86 YYMMF 1.09
87 IWLFF 1.1
88 FFLFF 1.1
89 FYLFF 1.11
90 YVMMF 1.11
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 YMFMF

3.41

-10.02

-6.61
2 MWFMF

4.7

-10.8

-6.1
3 FWLMF

6.4

-12.39

-5.99
4 FVFMF

5.76

-11.68

-5.92
5 FMFMF

5.15

-11.05

-5.9
6 IMFMF

4.19

-10.05

-5.86
7 YMLMF

4.63

-10.26

-5.63
8 MMMMF

3.43

-9.05

-5.62
9 YWMMF

3.65

-9.12

-5.47
10 FWFMF

6.44

-11.87

-5.43
11 IMLMF

4.68

-9.92

-5.24
12 FMFFF

7.26

-12.47

-5.21
13 IWFMF

4.03

-9.08

-5.05
14 FYFMF

3.8

-8.67

-4.87
15 FMMMF

6.68

-11.49

-4.81
16 FMLMF

6.29

-11.08

-4.79
17 FMMFF

4.83

-9.59

-4.76
18 YMFFF

5.61

-10.35

-4.74
19 MMFMF

3.73

-8.4

-4.67
20 GMFMF

5.1

-9.74

-4.64
21 GWFMF

5.7

-10.08

-4.38
22 FWFFF

4.65

-8.9

-4.25
23 IMMMF

6.24

-10.32

-4.08
24 FWMFF

5.72

-9.43

-3.71
25 YMMMF

5.12

-8.35

-3.23
26 YWFMF

7.15

-10.13

-2.98
27 GMMMF

6.18

-9.09

-2.91
28 FMLFF

6.2

-8.76

-2.56
29 FFFMF

5.66

-7.76

-2.1
30 FWMMF

7.91

-7.3

0.61

 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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