Predicted ligand sequences


ADAN-name: 1YBO2.PDB (view again the scoring matrix)

PDB name: [1YBO.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT T N E F Y A
position 1 2 3 4 5 6
poly-Ala
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    

(Help)

Intraclash 4.152 ΔGbinding -10.210
TOTAL
 -6.058
Backbone Hb -8.900 Cis_bond 0.190
Sidechain Hb 0.000 Torsional clash 0.150
Van der Waals -8.320 Backbone clash 0.950
Electrostatics -0.370 Helix dipole -0.050
Solvation Polar 12.320 Water bridges -0.630
Solvation Hyd -11.230 Disulfide 0.000
VdW clashes 0.280 Electrost. Kon -0.200
Entropy sc 2.860 Part.cov.bonds 0.000
Entropy mc

3.660

 ΔGstability

14.340
       

Predicted ligand sequences for template [1YBO2.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).
 
  1YBO2.PDB  

(data)
# Predicted Sequences Value Calculate
1 WGMFMA 0.0
2 GGMFMA 0.13
3 WSMFMA 0.21
4 WMMFMA 0.21
5 WGMMMA 0.29
6 WGFFMA 0.33
7 WGMFFA 0.33
8 GMMFMA 0.34
9 WGLFMA 0.34
10 GSMFMA 0.34
11 WGMFLA 0.4
12 WGMYMA 0.4
13 GGMMMA 0.43
14 GGMFFA 0.46
15 GGFFMA 0.46
16 GGLFMA 0.47
17 WSMMMA 0.5
18 WMMMMA 0.5
19 GGMFLA 0.53
20 GGMYMA 0.53
21 WSMFFA 0.54
22 WSFFMA 0.54
23 WMMFFA 0.54
24 WMFFMA 0.54
25 WMLFMA 0.55
26 WSLFMA 0.55
27 WSMFLA 0.6
28 WMMYMA 0.6
29 WMMFLA 0.6
30 WSMYMA 0.6
31 WGFMMA 0.62
32 WGMMFA 0.62
33 WGLMMA 0.63
34 GMMMMA 0.64
35 GSMMMA 0.64
36 WGFFFA 0.66
37 WGLFFA 0.66
38 GMMFFA 0.67
39 GSMFFA 0.67
40 GMFFMA 0.67
41 GSFFMA 0.67
42 GSLFMA 0.68
43 GMLFMA 0.68
44 WGMMLA 0.69
45 WGMYFA 0.72
46 WGLYMA 0.73
47 WGFFLA 0.73
48 WGFYMA 0.73
49 WGLFLA 0.73
50 GMMYMA 0.74
51 GSMFLA 0.74
52 GMMFLA 0.74
53 GSMYMA 0.74
54 GGFMMA 0.76
55 GGMMFA 0.76
56 GGLMMA 0.76
57 WGMYLA 0.79
58 GGFFFA 0.79
59 GGLFFA 0.8
60 GGMMLA 0.82
61 WMFMMA 0.83
62 WSFMMA 0.83
63 WMMMFA 0.83
64 WSMMFA 0.83
65 WSLMMA 0.84
66 WMLMMA 0.84
67 GGMYFA 0.86
68 GGFFLA 0.86
69 GGFYMA 0.86
70 GGLYMA 0.87
71 WSFFFA 0.87
72 WSLFFA 0.87
73 GGLFLA 0.87
74 WMFFFA 0.87
75 WMLFFA 0.87
76 WMMMLA 0.9
77 WSMMLA 0.9
78 WSMYFA 0.93
79 GGMYLA 0.93
80 WMMYFA 0.93
81 WSLFLA 0.94
82 WMLFLA 0.94
83 WMFYMA 0.94
84 WSFYMA 0.94
85 WSFFLA 0.94
86 WSLYMA 0.94
87 WMFFLA 0.94
88 WMLYMA 0.94
89 WGFMFA 0.95
90 WGLMFA 0.96
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WSMFMA

2.49

-14.85

-12.36
2 GGFFMA

1.51

-13.7

-12.19
3 WGMFLA

2.14

-14.17

-12.03
4 GGMFLA

0.74

-12.72

-11.98
5 WGMYMA

2.61

-14.49

-11.88
6 GSMFMA

1.25

-13.02

-11.77
7 WGMFFA

2.39

-14.15

-11.76
8 WGMFMA

2.35

-13.98

-11.63
9 WSLFMA

1.87

-13.46

-11.59
10 WGFFMA

2.94

-14.39

-11.45
11 GGMFMA

1.38

-12.82

-11.44
12 WGLFMA

1.84

-13.14

-11.3
13 WSMYMA

2.44

-13.73

-11.29
14 GGMYMA

1.35

-12.59

-11.24
15 GGMMMA

1.37

-12.57

-11.2
16 GMMFMA

1.38

-12.53

-11.15
17 WSMFLA

1.39

-12.41

-11.02
18 WMLFMA

2.31

-13.29

-10.98
19 WMMFMA

2.44

-13.31

-10.87
20 WMMYMA

1.74

-12.61

-10.87
21 WSMFFA

2.41

-13.28

-10.87
22 WGMMMA

2.52

-13.34

-10.82
23 GGLFMA

1.51

-12.31

-10.8
24 WMMFFA

2.06

-12.74

-10.68
25 WMFFMA

2.41

-13.07

-10.66
26 WSMMMA

2.65

-13.3

-10.65
27 GGMFFA

1.62

-12.25

-10.63
28 WMMMMA

2.41

-12.92

-10.51
29 WSFFMA

3.2

-13.13

-9.93
30 WMMFLA

3.93

-12.43

-8.5

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER