Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1GCQ-1.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8 9 10
poly-Ala
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 4.606 ΔGbinding -3.044
TOTAL
 1.562
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.881
Van der Waals -3.626 Backbone clash 0.177
Electrostatics -0.100 Helix dipole 0.000
Solvation Polar 3.691 Water bridges -0.063
Solvation Hyd -5.585 Disulfide 0.000
VdW clashes 0.841 Electrost. Kon -0.137
Entropy sc 0.585 Part.cov.bonds 0.000
Entropy mc

1.744

 ΔGstability

29.421
       

Predicted ligand sequences for model [BUD14_1GCQ-1.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_1GCQ-1.PDB  

(data)
# Predicted Sequences Value Calculate
1 YPQNWYRRRY 0.0
2 YPQNWYRPRY 0.05
3 YPQNWYRHRY 0.09
4 YPQNMYRRRY 0.13
5 YPQNWYRKRY 0.14
6 YPQNWYRSRY 0.15
7 YPQNMYRPRY 0.18
8 YPQNMYRHRY 0.22
9 YPQNMYRKRY 0.27
10 YPQNMYRSRY 0.28
11 YPQNFYRRRY 0.41
12 YPQNWYRRRH 0.44
13 YPQNFYRPRY 0.46
14 YPQNWYRPRH 0.49
15 YPQNFYRHRY 0.51
16 FPQNWYRRRY 0.51
17 YPQNWYRHRH 0.53
18 YPQNFYRKRY 0.55
19 YPQNFYRSRY 0.56
20 FPQNWYRPRY 0.56
21 YPQNMYRRRH 0.56
22 YPQNWYRKRH 0.58
23 YPQNWYPRRY 0.58
24 YPQNWYRSRH 0.59
25 YPQNWFRRRY 0.59
26 FPQNWYRHRY 0.6
27 YPQNMYRPRH 0.61
28 YPQNWYPPRY 0.63
29 YPQNWFRPRY 0.64
30 FPQNMYRRRY 0.64
31 FPQNWYRKRY 0.65
32 FPQNWYRSRY 0.66
33 YPQNMYRHRH 0.66
34 YPQNWYPHRY 0.67
35 YPQNWFRHRY 0.68
36 FPQNMYRPRY 0.69
37 YPQNMYRKRH 0.7
38 YPQNMFRRRY 0.71
39 YPQNMYPRRY 0.71
40 YPQNWYPKRY 0.72
41 YPQNMYRSRH 0.72
42 YPQNWYPSRY 0.73
43 FPQNMYRHRY 0.73
44 YPQNWFRKRY 0.73
45 YPQNWFRSRY 0.74
46 YPQNMYPPRY 0.76
47 YPQNMFRPRY 0.77
48 FPQNMYRKRY 0.78
49 FPQNMYRSRY 0.79
50 YPQNMYPHRY 0.8
51 YPQNMFRHRY 0.81
52 YPQNMYPKRY 0.85
53 YPQNMFRKRY 0.85
54 YPQNFYRRRH 0.85
55 YPQNMYPSRY 0.86
56 YPQNMFRSRY 0.87
57 YPQNFYRPRH 0.9
58 FPQNFYRRRY 0.92
59 YPQNFYRHRH 0.94
60 FPQNWYRRRH 0.95
61 FPQNFYRPRY 0.97
62 YPQNFYRKRH 0.99
63 YPQNFYPRRY 0.99
64 YPQNFYRSRH 1.0
65 FPQNWYRPRH 1.0
66 YPQNFFRRRY 1.0
67 FPQNFYRHRY 1.01
68 YPQNWYPRRH 1.02
69 YPQNWFRRRH 1.02
70 YPQNFYPPRY 1.04
71 FPQNWYRHRH 1.04
72 YPQNFFRPRY 1.05
73 FPQNFYRKRY 1.06
74 FPQNMYRRRH 1.07
75 YPQNWYPPRH 1.07
76 FPQNFYRSRY 1.07
77 YPQNWFRPRH 1.08
78 YPQNFYPHRY 1.08
79 FPQNWYPRRY 1.09
80 YPQNFFRHRY 1.09
81 FPQNWYRKRH 1.09
82 FPQNWYRSRH 1.1
83 FPQNWFRRRY 1.1
84 YPQNWYPHRH 1.11
85 YPQNWFRHRH 1.12
86 FPQNMYRPRH 1.12
87 YPQNFYPKRY 1.13
88 YPQNFFRKRY 1.14
89 YPQNFYPSRY 1.14
90 FPQNWYPPRY 1.14
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 YPQNWYPRRY

5.87

-9.96

-4.09
2 YPQNWYRPRH

5.34

-9.13

-3.79
3 YPQNMYRRRY

5.08

-8.84

-3.76
4 YPQNMYRSRY

4.55

-7.76

-3.21
5 YPQNWYRKRH

5.43

-8.62

-3.19
6 YPQNWFRRRY

5.17

-8.34

-3.17
7 YPQNFYRRRY

5.62

-8.78

-3.16
8 YPQNFYRKRY

5.48

-8.51

-3.03
9 YPQNWYRRRY

5.83

-8.82

-2.99
10 YPQNWYRRRH

5.3

-7.87

-2.57
11 YPQNWYRKRY

5.88

-8.26

-2.38
12 FPQNWYRRRY

6.22

-8.49

-2.27
13 YPQNWYRSRH

5.15

-7.26

-2.11
14 YPQNMYRRRH

5.04

-7.11

-2.07
15 YPQNMYRHRY

5.38

-7.38

-2.0
16 YPQNWYRPRY

5.16

-7.15

-1.99
17 YPQNMYRPRH

5.08

-7.01

-1.93
18 YPQNMYRKRY

5.73

-7.47

-1.74
19 FPQNMYRRRY

6.34

-8.02

-1.68
20 YPQNFYRSRY

5.56

-7.17

-1.61
21 YPQNMYRPRY

5.44

-6.96

-1.52
22 FPQNWYRHRY

6.9

-8.26

-1.36
23 YPQNWYRHRH

5.05

-6.3

-1.25
24 FPQNWYRPRY

5.87

-7.09

-1.22
25 YPQNWFRPRY

6.05

-7.14

-1.09
26 YPQNFYRHRY

6.03

-7.09

-1.06
27 YPQNWYRSRY

6.44

-7.29

-0.85
28 YPQNFYRPRY

5.45

-6.03

-0.58
29 YPQNWYRHRY

5.88

-6.37

-0.49
30 YPQNWYPPRY

7.71

-4.63

3.08

 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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