Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_CKB-OOT-12.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8
poly-Ala
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 1.113 ΔGbinding -1.431
TOTAL
 -0.318
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.354
Van der Waals -1.733 Backbone clash 0.000
Electrostatics 0.138 Helix dipole 0.000
Solvation Polar 2.129 Water bridges -0.073
Solvation Hyd -2.341 Disulfide 0.000
VdW clashes 0.020 Electrost. Kon 0.152
Entropy sc 0.415 Part.cov.bonds 0.000
Entropy mc

0.784

 ΔGstability

14.190
       

Predicted ligand sequences for model [LSB3_CKB-OOT-12.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-12.PDB  

(data)
# Predicted Sequences Value Calculate
1 WRFRRHRK 0.0
2 WRFRRHRR 0.05
3 WRFKRHRK 0.12
4 WRFKRHRR 0.17
5 WRRRRHRK 0.2
6 YRFRRHRK 0.25
7 WRRRRHRR 0.25
8 YRFRRHRR 0.3
9 KRFRRHRK 0.3
10 WRRKRHRK 0.32
11 WRFRKHRK 0.33
12 WRFRHHRK 0.35
13 WRFHRHRK 0.36
14 KRFRRHRR 0.36
15 YRFKRHRK 0.37
16 WRRKRHRR 0.37
17 WRFRKHRR 0.38
18 WRFRHHRR 0.4
19 WRFHRHRR 0.41
20 WRFRRQRK 0.42
21 KRFKRHRK 0.43
22 YRFKRHRR 0.43
23 WRFRRIRK 0.43
24 YRRRRHRK 0.45
25 WRFKKHRK 0.45
26 WRFKHHRK 0.47
27 WRFRRQRR 0.47
28 KRFKRHRR 0.48
29 WKFRRHRK 0.48
30 WRFRRIRR 0.48
31 WRFKKHRR 0.5
32 KRRRRHRK 0.51
33 YRRRRHRR 0.51
34 WRFKHHRR 0.52
35 WRRRKHRK 0.53
36 WKFRRHRR 0.54
37 WRFKRQRK 0.54
38 WRFKRIRK 0.55
39 WRRRHHRK 0.55
40 KRRRRHRR 0.56
41 WRRHRHRK 0.56
42 YRRKRHRK 0.57
43 WRRRKHRR 0.58
44 YRFRKHRK 0.58
45 WRFKRQRR 0.59
46 YRFRHHRK 0.6
47 WRFKRIRR 0.6
48 WRRRHHRR 0.6
49 WKFKRHRK 0.61
50 YRFHRHRK 0.61
51 WRRHRHRR 0.61
52 WRRRRQRK 0.62
53 YRRKRHRR 0.63
54 KRFRKHRK 0.63
55 KRRKRHRK 0.63
56 WRRRRIRK 0.63
57 YRFRKHRR 0.63
58 WRRKKHRK 0.65
59 WKFKRHRR 0.66
60 YRFRHHRR 0.66
61 KRFRHHRK 0.66
62 WRRKHHRK 0.67
63 WRRRRQRR 0.67
64 YRFHRHRR 0.67
65 YRFRRQRK 0.67
66 KRFHRHRK 0.67
67 YRFRRIRK 0.68
68 WRRRRIRR 0.68
69 KRRKRHRR 0.68
70 WRFHKHRK 0.69
71 KRFRKHRR 0.69
72 WKRRRHRK 0.69
73 YRFKKHRK 0.7
74 WRRKKHRR 0.7
75 WRFHHHRK 0.71
76 KRFRHHRR 0.71
77 KRFRRQRK 0.72
78 YRFKHHRK 0.72
79 KRFHRHRR 0.72
80 WRRKHHRR 0.73
81 YRFRRIRR 0.73
82 KRFRRIRK 0.73
83 YRFRRQRR 0.73
84 WRRKRQRK 0.74
85 WRFHKHRR 0.74
86 YKFRRHRK 0.74
87 WKRRRHRR 0.74
88 YRFKKHRR 0.75
89 WRFRKQRK 0.75
90 WRRKRIRK 0.75
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WKFRRHRK

1.98

-8.58

-6.6
2 WRFRRQRR

3.16

-9.7

-6.54
3 YRFKRHRK

3.35

-9.0

-5.65
4 WRRKRHRK

3.42

-8.44

-5.02
5 KRFRRHRK

3.32

-8.28

-4.96
6 WRFRRIRR

3.1

-8.03

-4.93
7 WRFKRHRR

3.09

-8.0

-4.91
8 WRFKRHRK

2.91

-7.69

-4.78
9 WRFRHHRR

1.8

-6.55

-4.75
10 WRFRRQRK

2.37

-7.06

-4.69
11 KRFKRHRR

3.15

-7.83

-4.68
12 KRFRRHRR

2.98

-7.6

-4.62
13 YRFKRHRR

2.83

-7.3

-4.47
14 KRFKRHRK

1.83

-6.26

-4.43
15 WRRRRHRK

2.43

-6.68

-4.25
16 YRFRRHRR

2.85

-7.09

-4.24
17 WRFRRHRK

4.01

-8.16

-4.15
18 WRFRHHRK

2.16

-6.24

-4.08
19 WRFHRHRK

2.92

-6.97

-4.05
20 YRFRRHRK

1.93

-5.76

-3.83
21 WRFRKHRR

3.76

-7.55

-3.79
22 WRFRKHRK

3.4

-7.12

-3.72
23 WRFHRHRR

3.76

-7.31

-3.55
24 WRFKKHRK

3.6

-7.11

-3.51
25 WRFRRHRR

3.76

-7.16

-3.4
26 WRRKRHRR

3.08

-6.28

-3.2
27 YRRRRHRK

3.66

-6.69

-3.03
28 WRFKHHRK

3.26

-5.91

-2.65
29 WRRRRHRR

5.47

-8.07

-2.6
30 WRFRRIRK

2.93

-4.12

-1.19

 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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