Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_CKB-OOT-17.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
poly-Ala A
A
A
A
A
G
 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 3.605 ΔGbinding -0.835
TOTAL
 2.770
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.762
Van der Waals -4.624 Backbone clash 0.083
Electrostatics 0.516 Helix dipole 0.000
Solvation Polar 4.555 Water bridges 0.004
Solvation Hyd -6.647 Disulfide 0.000
VdW clashes 1.061 Electrost. Kon 0.538
Entropy sc 0.527 Part.cov.bonds 0.000
Entropy mc

3.748

 ΔGstability

19.800
       

Predicted ligand sequences for model [LSB3_CKB-OOT-17.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).
 
  LSB3_CKB-OOT-17.PDB  

(data)
# Predicted Sequences Value Calculate
1 FRWRRGMWF 0.0
2 FRFRRGMWF 0.03
3 FRKRRGMWF 0.03
4 FRWRRGMWH 0.15
5 FRKRRGMWH 0.18
6 FRFRRGMWH 0.19
7 FRWRRGWWF 0.19
8 FRKRRGWWF 0.21
9 FRFRRGWWF 0.22
10 FRWRRGYWF 0.24
11 FRFRRGYWF 0.27
12 FRKRRGYWF 0.27
13 WRWRRGMWF 0.31
14 WRKRRGMWF 0.34
15 WRFRRGMWF 0.34
16 FRWRRGWWH 0.34
17 FRKRRGWWH 0.37
18 FRFRRGWWH 0.37
19 FRWRRGYWH 0.4
20 FRWMRGMWF 0.41
21 FRKRRGYWH 0.42
22 FRWRRGMRF 0.42
23 FRFRRGYWH 0.43
24 FRKMRGMWF 0.43
25 FRWRRGMCF 0.44
26 FRFMRGMWF 0.44
27 FRKRRGMRF 0.45
28 WRWRRGMWH 0.46
29 FRFRRGMRF 0.46
30 FRKRRGMCF 0.47
31 FRFRRGMCF 0.47
32 WRWRRGWWF 0.49
33 YRWRRGMWF 0.49
34 WRKRRGMWH 0.49
35 WRFRRGMWH 0.49
36 FRWREGMWF 0.5
37 YRKRRGMWF 0.51
38 WRKRRGWWF 0.52
39 YRFRRGMWF 0.52
40 FRKREGMWF 0.53
41 FRFREGMWF 0.53
42 WRFRRGWWF 0.53
43 WRWRRGYWF 0.55
44 FRWMRGMWH 0.56
45 WRFRRGYWF 0.58
46 WRKRRGYWF 0.58
47 FRWRRGMRH 0.58
48 FRWRRGMCH 0.59
49 FRWMRGWWF 0.59
50 FRKMRGMWH 0.59
51 FRFMRGMWH 0.59
52 FRWRRGWRF 0.61
53 FRKRRGMRH 0.61
54 FRFRRGMRH 0.61
55 FRKRRGMCH 0.62
56 FRFMRGWWF 0.62
57 FRKMRGWWF 0.62
58 FRWRRGWCF 0.63
59 FRFRRGMCH 0.63
60 FRFRRGWRF 0.64
61 YRWRRGMWH 0.64
62 FRKRRGWRF 0.64
63 WRWRRGWWH 0.65
64 FRWMRGYWF 0.65
65 FRWREGMWH 0.65
66 FRFRRGWCF 0.66
67 FRKRRGWCF 0.66
68 YRFRRGMWH 0.67
69 FRWRRGYRF 0.67
70 YRKRRGMWH 0.67
71 YRWRRGWWF 0.67
72 FRFMRGYWF 0.68
73 WRKRRGWWH 0.68
74 FRKMRGYWF 0.68
75 FRWRRGYCF 0.68
76 FRKREGMWH 0.68
77 WRFRRGWWH 0.68
78 FRKRRGYRF 0.69
79 FRWREGWWF 0.69
80 FRFREGMWH 0.69
81 FRFRRGYRF 0.7
82 WRWRRGYWH 0.7
83 YRKRRGWWF 0.7
84 YRFRRGWWF 0.7
85 FRKRRGYCF 0.71
86 FRKREGWWF 0.71
87 FRFRRGYCF 0.72
88 WRWMRGMWF 0.72
89 FRFREGWWF 0.72
90 YRWRRGYWF 0.73
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FRKRRGMWH

3.01

-4.08

-1.07
2 FRWRRGYWF

3.56

-4.61

-1.05
3 FRKRRGWWH

3.01

-4.06

-1.05
4 FRKRRGMCF

3.54

-4.58

-1.04
5 FRFRRGWWH

3.6

-4.6

-1.0
6 FRKRRGMRF

3.56

-4.5

-0.94
7 FRWRRGWWH

2.96

-3.8

-0.84
8 FRFRRGMWF

3.96

-4.8

-0.84
9 FRKRRGYWF

3.48

-4.31

-0.83
10 FRWRRGMRF

4.16

-4.94

-0.78
11 FRWRRGYWH

3.09

-3.72

-0.63
12 FRFRRGMRF

4.23

-4.86

-0.63
13 FRWRRGWWF

3.68

-4.12

-0.44
14 FRFRRGYWH

3.35

-3.72

-0.37
15 FRWRRGMWF

3.45

-3.77

-0.32
16 FRWMRGMWF

4.15

-4.38

-0.23
17 WRWRRGMWH

3.19

-3.37

-0.18
18 FRWRRGMCF

3.72

-3.9

-0.18
19 FRKRRGWWF

3.28

-3.4

-0.12
20 WRFRRGMWF

3.8

-3.85

-0.05
21 FRKMRGMWF

4.44

-4.45

-0.01
22 FRWRRGMWH

3.2

-3.2

0.0
23 FRKRRGYWH

3.68

-3.53

0.15
24 FRFMRGMWF

4.31

-4.14

0.17
25 FRFRRGWWF

3.58

-3.38

0.2
26 WRWRRGMWF

4.03

-3.83

0.2
27 WRKRRGMWF

3.92

-3.59

0.33
28 FRFRRGYWF

4.39

-3.82

0.57
29 FRKRRGMWF

4.2

-3.45

0.75
30 FRFRRGMWH

4.57

-3.41

1.16

 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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