Predicted ligand sequences (modelled structure)


ADAN-name: CYK3_1QCF-29.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 3.623 ΔGbinding -3.952
TOTAL
 -0.329
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.494
Van der Waals -4.038 Backbone clash 0.000
Electrostatics -0.063 Helix dipole 0.000
Solvation Polar 3.908 Water bridges -0.002
Solvation Hyd -5.893 Disulfide 0.000
VdW clashes 0.556 Electrost. Kon -0.106
Entropy sc 0.554 Part.cov.bonds 0.000
Entropy mc

1.913

 ΔGstability

35.699
       

Predicted ligand sequences for model [CYK3_1QCF-29.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).
 
  CYK3_1QCF-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 RWPEMPRMWH 0.0
2 HWPEMPRMWH 0.01
3 KWPEMPRMWH 0.02
4 RWPWMPRMWH 0.04
5 RWPEMPRMWR 0.05
6 HWPWMPRMWH 0.05
7 RWPEMIRMWH 0.06
8 HWPEMPRMWR 0.06
9 HWPPMPRMWH 0.06
10 RWPPMPRMWH 0.06
11 HWPEMIRMWH 0.06
12 KWPWMPRMWH 0.07
13 KWPEMPRMWR 0.07
14 KWPEMIRMWH 0.08
15 KWPPMPRMWH 0.08
16 RWPWMPRMWR 0.1
17 HWPWMPRMWR 0.1
18 RWPWMIRMWH 0.1
19 RWPEMIRMWR 0.11
20 RWPPMIRMWH 0.11
21 HWPPMPRMWR 0.11
22 RWPPMPRMWR 0.11
23 HWPWMIRMWH 0.11
24 HWPEMIRMWR 0.11
25 KWPWMIRMWH 0.12
26 KWPWMPRMWR 0.12
27 HWPPMIRMWH 0.12
28 KWPEMIRMWR 0.13
29 RFPEMPRMWH 0.13
30 KWPPMIRMWH 0.13
31 KWPPMPRMWR 0.13
32 HFPEMPRMWH 0.14
33 KFPEMPRMWH 0.15
34 RWPWMIRMWR 0.15
35 RWPPMIRMWR 0.16
36 HWPWMIRMWR 0.16
37 KWPWMIRMWR 0.17
38 HWPPMIRMWR 0.17
39 RFPWMPRMWH 0.18
40 RFPEMPRMWR 0.18
41 KWPPMIRMWR 0.18
42 HFPWMPRMWH 0.18
43 HWLEMPRMWH 0.19
44 HFPEMPRMWR 0.19
45 HFPPMPRMWH 0.19
46 RFPPMPRMWH 0.19
47 HFPEMIRMWH 0.19
48 RWLEMPRMWH 0.19
49 RFPEMIRMWH 0.19
50 KFPWMPRMWH 0.2
51 KFPEMPRMWR 0.2
52 KWLEMPRMWH 0.21
53 KFPEMIRMWH 0.21
54 KFPPMPRMWH 0.21
55 RWPEMPRMWF 0.22
56 RFPWMIRMWH 0.23
57 RFPWMPRMWR 0.23
58 HWPEMPRMWF 0.23
59 RWLWMPRMWH 0.23
60 HFPWMPRMWR 0.23
61 RWLPMPRMWH 0.24
62 KWPEMPRMWF 0.24
63 RFPPMIRMWH 0.24
64 HFPPMPRMWR 0.24
65 RWLEMIRMWH 0.24
66 HFPWMIRMWH 0.24
67 RFPPMPRMWR 0.24
68 HWLWMPRMWH 0.24
69 HFPEMIRMWR 0.24
70 RWLEMPRMWR 0.24
71 RFPEMIRMWR 0.24
72 RWPEWPRMWH 0.25
73 KFPWMPRMWR 0.25
74 HFPPMIRMWH 0.25
75 HWLEMIRMWH 0.25
76 HWLEMPRMWR 0.25
77 HWLPMPRMWH 0.25
78 KFPWMIRMWH 0.25
79 HWPEWPRMWH 0.25
80 KWLWMPRMWH 0.25
81 KWLPMPRMWH 0.26
82 KFPPMIRMWH 0.26
83 KFPEMIRMWR 0.26
84 KWLEMPRMWR 0.26
85 KFPPMPRMWR 0.26
86 KWLEMIRMWH 0.27
87 RWPWMPRMWF 0.27
88 HWPWMPRMWF 0.27
89 RWPEMVRMWH 0.27
90 KWPEWPRMWH 0.27
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 HWPPMPRMWH

3.43

-12.11

-8.68
2 RWPPMPRMWH

3.71

-12.29

-8.58
3 RWPEMPRMWH

3.97

-12.53

-8.56
4 RFPEMPRMWH

3.95

-12.46

-8.51
5 RWPPMPRMWR

3.6

-11.96

-8.36
6 KWPEMPRMWH

3.43

-11.69

-8.26
7 HWPWMPRMWH

3.94

-12.17

-8.23
8 RWPWMPRMWH

3.59

-11.81

-8.22
9 KWPWMPRMWR

3.5

-11.68

-8.18
10 HWPEMPRMWR

4.13

-12.29

-8.16
11 HWPPMPRMWR

3.62

-11.77

-8.15
12 RWPWMIRMWH

3.69

-11.82

-8.13
13 HWPEMPRMWH

4.1

-12.2

-8.1
14 KWPEMPRMWR

3.74

-11.77

-8.03
15 HWPWMPRMWR

4.19

-12.2

-8.01
16 KWPPMPRMWH

3.61

-11.46

-7.85
17 KWPEMIRMWR

3.83

-11.48

-7.65
18 RWPPMIRMWH

3.83

-11.42

-7.59
19 RWPEMPRMWR

3.69

-11.27

-7.58
20 HWPEMIRMWR

3.93

-11.49

-7.56
21 RWPWMPRMWR

3.51

-11.01

-7.5
22 HWPPMIRMWH

4.7

-12.07

-7.37
23 RWPEMIRMWR

4.6

-11.88

-7.28
24 HWPWMIRMWH

4.05

-11.27

-7.22
25 KWPPMIRMWH

3.97

-11.09

-7.12
26 KWPWMIRMWH

4.05

-11.11

-7.06
27 RWPEMIRMWH

4.78

-11.53

-6.75
28 KWPWMPRMWH

4.66

-11.34

-6.68
29 HWPEMIRMWH

4.48

-11.14

-6.66
30 KWPEMIRMWH

4.74

-11.3

-6.56

 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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