Predicted ligand sequences (modelled structure)


ADAN-name: CYK3_1QCF-8.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 3.196 ΔGbinding -2.702
TOTAL
 0.494
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 1.850
Van der Waals -4.228 Backbone clash 0.000
Electrostatics -0.022 Helix dipole 0.000
Solvation Polar 4.284 Water bridges -0.082
Solvation Hyd -5.653 Disulfide 0.000
VdW clashes 0.415 Electrost. Kon -0.075
Entropy sc 1.055 Part.cov.bonds 0.000
Entropy mc

2.304

 ΔGstability

35.446
       

Predicted ligand sequences for model [CYK3_1QCF-8.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-8.PDB  

(data)
# Predicted Sequences Value Calculate
1 DWDPLPPW 0.0
2 EWDPLPPW 0.01
3 RWDPLPPW 0.04
4 DWDWLPPW 0.14
5 EWDWLPPW 0.15
6 RWDWLPPW 0.18
7 DWDFLPPW 0.2
8 EWDFLPPW 0.22
9 RWDFLPPW 0.24
10 DWDPLPEW 0.35
11 DWDPLPRW 0.37
12 EWDPLPEW 0.37
13 EWDPLPRW 0.38
14 RWDPLPEW 0.39
15 RWDPLPRW 0.41
16 DWPPLPPW 0.45
17 EWPPLPPW 0.46
18 DWDPLMPW 0.47
19 RWPPLPPW 0.49
20 EWDPLMPW 0.49
21 DWDWLPEW 0.49
22 RWDPLMPW 0.51
23 DWDWLPRW 0.51
24 EWDWLPEW 0.51
25 EWDWLPRW 0.52
26 RWDWLPEW 0.53
27 RWDWLPRW 0.55
28 DWDFLPEW 0.56
29 DWDFLPRW 0.57
30 EWDFLPEW 0.57
31 EWDFLPRW 0.59
32 DWPWLPPW 0.59
33 RWDFLPEW 0.6
34 EWPWLPPW 0.6
35 RWDFLPRW 0.61
36 DWDWLMPW 0.61
37 EWDWLMPW 0.63
38 RWPWLPPW 0.63
39 RWDWLMPW 0.66
40 DWPFLPPW 0.66
41 EWPFLPPW 0.67
42 DWDFLMPW 0.68
43 EWDFLMPW 0.69
44 RWPFLPPW 0.69
45 RWDFLMPW 0.72
46 DWPPLPEW 0.8
47 EWPPLPEW 0.82
48 DWPPLPRW 0.82
49 DWDPLMEW 0.83
50 EWPPLPRW 0.83
51 RWPPLPEW 0.84
52 DWDPLMRW 0.84
53 EWDPLMEW 0.84
54 EWDPLMRW 0.86
55 RWPPLPRW 0.86
56 RWDPLMEW 0.87
57 RWDPLMRW 0.88
58 DWPPLMPW 0.92
59 DWPWLPEW 0.94
60 EWPPLMPW 0.94
61 DWPWLPRW 0.96
62 EWPWLPEW 0.96
63 RWPPLMPW 0.96
64 EWPWLPRW 0.97
65 DWDWLMEW 0.97
66 DWDWLMRW 0.98
67 EWDWLMEW 0.98
68 RWPWLPEW 0.98
69 RWPWLPRW 1.0
70 EWDWLMRW 1.0
71 RWDWLMEW 1.01
72 DWPFLPEW 1.01
73 DWPFLPRW 1.02
74 EWPFLPEW 1.02
75 RWDWLMRW 1.02
76 DWDFLMEW 1.03
77 EWDFLMEW 1.04
78 EWPFLPRW 1.04
79 RWPFLPEW 1.05
80 DWDFLMRW 1.05
81 DWPWLMPW 1.06
82 RWPFLPRW 1.06
83 EWDFLMRW 1.06
84 RWDFLMEW 1.07
85 EWPWLMPW 1.08
86 RWDFLMRW 1.09
87 RWPWLMPW 1.1
88 DWPFLMPW 1.13
89 EWPFLMPW 1.14
90 RWPFLMPW 1.17
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DWDWLPPW

4.29

-9.55

-5.26
2 DWDPLPEW

4.71

-9.95

-5.24
3 DWDWLPEW

4.58

-9.48

-4.9
4 RWDWLPRW

4.19

-8.86

-4.67
5 EWDPLPPW

4.87

-9.52

-4.65
6 DWDWLPRW

4.92

-9.48

-4.56
7 EWDPLPEW

5.03

-9.56

-4.53
8 RWDPLPEW

4.37

-8.7

-4.33
9 DWDPLPPW

5.49

-9.69

-4.2
10 RWDPLPRW

4.61

-8.75

-4.14
11 RWDWLPPW

3.91

-7.97

-4.06
12 DWDPLMPW

5.23

-9.19

-3.96
13 RWDFLPPW

5.65

-9.46

-3.81
14 EWDWLPPW

5.38

-9.19

-3.81
15 EWDWLPEW

6.44

-10.08

-3.64
16 RWDPLPPW

5.33

-8.88

-3.55
17 RWDWLPEW

4.71

-8.21

-3.5
18 DWDFLPPW

5.0

-8.5

-3.5
19 EWDFLPEW

4.97

-8.32

-3.35
20 EWDPLMPW

4.53

-7.35

-2.82
21 EWDWLPRW

6.57

-9.37

-2.8
22 DWDPLPRW

5.73

-8.48

-2.75
23 DWPPLPPW

5.54

-8.24

-2.7
24 RWDPLMPW

6.45

-9.12

-2.67
25 DWDFLPRW

5.21

-7.76

-2.55
26 EWPPLPPW

5.33

-7.76

-2.43
27 EWDPLPRW

5.99

-8.23

-2.24
28 RWPPLPPW

6.15

-8.28

-2.13
29 DWDFLPEW

5.86

-7.77

-1.91
30 EWDFLPPW

6.14

-7.94

-1.8

 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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