Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1SEM-11.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7
poly-Ala
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    

(Help)

Intraclash 1.123 ΔGbinding -0.925
TOTAL
 0.198
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.838
Van der Waals -2.822 Backbone clash 0.018
Electrostatics 0.062 Helix dipole 0.000
Solvation Polar 2.320 Water bridges -0.039
Solvation Hyd -4.310 Disulfide 0.000
VdW clashes 0.093 Electrost. Kon 0.141
Entropy sc 0.189 Part.cov.bonds 0.000
Entropy mc

2.601

 ΔGstability

47.173
       

Predicted ligand sequences for model [BUD14_1SEM-11.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).
 
  BUD14_1SEM-11.PDB  

(data)
# Predicted Sequences Value Calculate
1 FRPRFPM 0.0
2 FRWRFPM 0.06
3 FRPRFRM 0.08
4 FRPRFKM 0.11
5 FRWRFRM 0.14
6 FRWRFKM 0.16
7 FRPRWPM 0.18
8 FRWRWPM 0.23
9 FRPRWRM 0.26
10 FRPRWKM 0.28
11 FRFRFPM 0.3
12 FRWRWRM 0.31
13 FRWRWKM 0.34
14 FRPMFPM 0.36
15 FRFRFRM 0.38
16 FRWMFPM 0.41
17 FRFRFKM 0.41
18 FRPRFPY 0.42
19 FRPMFRM 0.44
20 FRPFFPM 0.45
21 FRWRFPY 0.47
22 FRPMFKM 0.47
23 FRPRMPM 0.48
24 FRFRWPM 0.48
25 FRWMFRM 0.49
26 FRPRFRY 0.5
27 FRWFFPM 0.51
28 FRWMFKM 0.52
29 FRPRFKY 0.53
30 FRPFFRM 0.53
31 FRWRMPM 0.54
32 FRPMWPM 0.54
33 FRWRFRY 0.55
34 FRPRMRM 0.56
35 FRFRWRM 0.56
36 FRPFFKM 0.56
37 FRWRFKY 0.58
38 FRFRWKM 0.58
39 FRPRMKM 0.59
40 FRWMWPM 0.59
41 FRPRWPY 0.59
42 FRWFFRM 0.59
43 FRWRMRM 0.62
44 FRWFFKM 0.62
45 FRPMWRM 0.62
46 FRPFWPM 0.63
47 FRWRMKM 0.65
48 FRPMWKM 0.65
49 FRWRWPY 0.65
50 FRFMFPM 0.66
51 FRPRWRY 0.67
52 FRWMWRM 0.67
53 FRWFWPM 0.69
54 FRPRWKY 0.7
55 FRWMWKM 0.7
56 FRPFWRM 0.71
57 FRFRFPY 0.72
58 FRWRWRY 0.73
59 FRFMFRM 0.74
60 FRPFWKM 0.74
61 FRFFFPM 0.75
62 FRWRWKY 0.76
63 FRFMFKM 0.77
64 FRWFWRM 0.77
65 FRPMFPY 0.78
66 FRFRMPM 0.78
67 FRWFWKM 0.79
68 FRFRFRY 0.8
69 FRFFFRM 0.83
70 FRWMFPY 0.83
71 FRFRFKY 0.83
72 FRPMMPM 0.84
73 FRFMWPM 0.84
74 FRFFFKM 0.86
75 FRFRMRM 0.86
76 FRPMFRY 0.86
77 FRPFFPY 0.87
78 FRFRMKM 0.89
79 FRPMFKY 0.89
80 FRFRWPY 0.89
81 FRPRMPY 0.9
82 FRWMMPM 0.9
83 FRWMFRY 0.91
84 FRPMMRM 0.92
85 FRFMWRM 0.92
86 FRFFWPM 0.93
87 FRWFFPY 0.93
88 FRFMWKM 0.94
89 FRWMFKY 0.94
90 FRPFMPM 0.94
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FRWMFPM

2.42

-7.71

-5.29
2 FRWMFKM

2.37

-7.33

-4.96
3 FRPMFPM

2.69

-7.37

-4.68
4 FRPFFPM

1.69

-6.27

-4.58
5 FRWFFPM

2.26

-6.84

-4.58
6 FRPMFKM

1.89

-6.47

-4.58
7 FRWMFRM

3.15

-7.64

-4.49
8 FRPMFRM

2.35

-6.25

-3.9
9 FRWRFKM

2.73

-6.51

-3.78
10 FRPRMPM

1.83

-5.44

-3.61
11 FRPRFRM

3.02

-6.27

-3.25
12 FRPFFRM

3.0

-5.98

-2.98
13 FRWRFPM

2.26

-5.1

-2.84
14 FRWRFRM

2.51

-5.02

-2.51
15 FRPRFKM

3.34

-5.84

-2.5
16 FRPRWKM

2.47

-4.93

-2.46
17 FRPRWPM

2.4

-4.77

-2.37
18 FRPRFPY

2.5

-4.79

-2.29
19 FRPRWRM

3.09

-5.2

-2.11
20 FRPRFPM

3.16

-5.1

-1.94
21 FRFRFPM

3.4

-5.05

-1.65
22 FRWRFPY

2.41

-3.92

-1.51
23 FRFRFKM

2.6

-4.08

-1.48
24 FRFRWPM

3.47

-4.89

-1.42
25 FRWRWRM

3.48

-4.5

-1.02
26 FRWRWKM

3.48

-4.37

-0.89
27 FRPRFKY

2.88

-3.47

-0.59
28 FRPRFRY

2.09

-2.4

-0.31
29 FRFRFRM

3.04

-2.91

0.13
30 FRWRWPM

4.36

-4.11

0.25

 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