Predicted ligand sequences


ADAN-name: 1CDK2.PDB (view again the scoring matrix)

PDB name: [1CDK.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT T T Y A D F I A S G R T G R R N A I H D
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
poly-Ala
A
 A
A
A
 A
A
 A
A
A
G
A
 A
G
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 8.584 ΔGbinding -35.540
TOTAL
 -26.956
Backbone Hb -6.275 Cis_bond 0.000
Sidechain Hb -15.237 Torsional clash 1.385
Van der Waals -18.962 Backbone clash 0.928
Electrostatics -12.375 Helix dipole 0.099
Solvation Polar 29.906 Water bridges -0.616
Solvation Hyd -23.285 Disulfide 0.000
VdW clashes 0.799 Electrost. Kon -5.900
Entropy sc 8.365 Part.cov.bonds 0.000
Entropy mc

6.556

 ΔGstability

-22.412
       

Predicted ligand sequences for template [1CDK2.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).
 
  1CDK2.PDB  

(data)
# Predicted Sequences Value Calculate
1 EsWsLFMKKRRMYRRRKIWW 0.0
2 EsWsLFMIKRRMYRRRKIWW 0.01
3 EsWpLFMKKRRMYRRRKIWW 0.01
4 EsWsLFMVKRRMYRRRKIWW 0.01
5 ETWsLFMKKRRMYRRRKIWW 0.01
6 ETWpLFMKKRRMYRRRKIWW 0.02
7 EsWpLFMVKRRMYRRRKIWW 0.02
8 EsWpLFMIKRRMYRRRKIWW 0.02
9 ETWpLFMVKRRMYRRRKIWW 0.03
10 EsWDLFMKKRRMYRRRKIWW 0.03
11 ETWsLFMVKRRMYRRRKIWW 0.03
12 ETWsLFMIKRRMYRRRKIWW 0.03
13 ssWsLFMKKRRMYRRRKIWW 0.04
14 ETWDLFMKKRRMYRRRKIWW 0.04
15 ETWpLFMIKRRMYRRRKIWW 0.04
16 EsWDLFMIKRRMYRRRKIWW 0.04
17 EsWDLFMVKRRMYRRRKIWW 0.04
18 EsWsLFMKKRRMYRRRKIWy 0.05
19 DsWsLFMKKRRMYRRRKIWW 0.05
20 ssWpLFMKKRRMYRRRKIWW 0.05
21 ssWsLFMVKRRMYRRRKIWW 0.05
22 ETWDLFMVKRRMYRRRKIWW 0.05
23 DsWsLFMVKRRMYRRRKIWW 0.06
24 ssWpLFMVKRRMYRRRKIWW 0.06
25 ETWDLFMIKRRMYRRRKIWW 0.06
26 EsWsLFMIKRRMYRRRKIWy 0.06
27 ssWsLFMIKRRMYRRRKIWW 0.06
28 DsWpLFMKKRRMYRRRKIWW 0.06
29 EsWpLFMKKRRMYRRRKIWy 0.06
30 sTWsLFMKKRRMYRRRKIWW 0.06
31 EsWsLFMVKRRMYRRRKIWy 0.06
32 ETWsLFMKKRRMYRRRKIWy 0.06
33 ssWDLFMKKRRMYRRRKIWW 0.07
34 DsWsLFMIKRRMYRRRKIWW 0.07
35 DsWpLFMIKRRMYRRRKIWW 0.07
36 sTWpLFMKKRRMYRRRKIWW 0.07
37 sTWsLFMVKRRMYRRRKIWW 0.07
38 DTWsLFMKKRRMYRRRKIWW 0.07
39 EsWpLFMVKRRMYRRRKIWy 0.07
40 ETWsLFMVKRRMYRRRKIWy 0.07
41 ETWpLFMKKRRMYRRRKIWy 0.07
42 sTWsLFMIKRRMYRRRKIWW 0.07
43 EsWpLFMIKRRMYRRRKIWy 0.07
44 DsWpLFMVKRRMYRRRKIWW 0.07
45 ssWpLFMIKRRMYRRRKIWW 0.07
46 DTWsLFMVKRRMYRRRKIWW 0.08
47 ETWpLFMVKRRMYRRRKIWy 0.08
48 EsWDLFMKKRRMYRRRKIWy 0.08
49 DsWDLFMKKRRMYRRRKIWW 0.08
50 DTWpLFMKKRRMYRRRKIWW 0.08
51 sTWpLFMIKRRMYRRRKIWW 0.08
52 ETWpLFMIKRRMYRRRKIWy 0.08
53 DTWsLFMIKRRMYRRRKIWW 0.08
54 sTWpLFMVKRRMYRRRKIWW 0.08
55 ssWDLFMVKRRMYRRRKIWW 0.08
56 ETWsLFMIKRRMYRRRKIWy 0.08
57 sTWDLFMKKRRMYRRRKIWW 0.09
58 DTWpLFMIKRRMYRRRKIWW 0.09
59 DsWDLFMVKRRMYRRRKIWW 0.09
60 DsWDLFMIKRRMYRRRKIWW 0.09
61 ssWsLFMKKRRMYRRRKIWy 0.09
62 ETWDLFMKKRRMYRRRKIWy 0.09
63 ssWDLFMIKRRMYRRRKIWW 0.09
64 DTWpLFMVKRRMYRRRKIWW 0.09
65 EsWDLFMIKRRMYRRRKIWy 0.09
66 EsWDLFMVKRRMYRRRKIWy 0.09
67 EsWsLWMKKRRMYRRRKIWW 0.1
68 DTWDLFMKKRRMYRRRKIWW 0.1
69 DsWsLFMKKRRMYRRRKIWy 0.1
70 sTWDLFMIKRRMYRRRKIWW 0.1
71 ssWpLFMKKRRMYRRRKIWy 0.1
72 ssWsLFMVKRRMYRRRKIWy 0.1
73 ETWDLFMVKRRMYRRRKIWy 0.1
74 sTWDLFMVKRRMYRRRKIWW 0.1
75 DsWsLFMVKRRMYRRRKIWy 0.11
76 ssWpLFMVKRRMYRRRKIWy 0.11
77 EsWpLWMKKRRMYRRRKIWW 0.11
78 ETWDLFMIKRRMYRRRKIWy 0.11
79 DsWsLFMIKRRMYRRRKIWy 0.11
80 DTWDLFMVKRRMYRRRKIWW 0.11
81 DTWDLFMIKRRMYRRRKIWW 0.11
82 EsWsLWMVKRRMYRRRKIWW 0.11
83 ssWsLFMIKRRMYRRRKIWy 0.11
84 DsWpLFMKKRRMYRRRKIWy 0.11
85 EsWsLWMIKRRMYRRRKIWW 0.11
86 sTWsLFMKKRRMYRRRKIWy 0.11
87 ETWsLWMKKRRMYRRRKIWW 0.11
88 ssWpLFMIKRRMYRRRKIWy 0.11
89 ssWDLFMKKRRMYRRRKIWy 0.12
90 EsWpLWMVKRRMYRRRKIWW 0.12
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 EsWpLFMVKRRMYRRRKIWW

7.15

-43.1

-35.95
2 EsWpLFMKKRRMYRRRKIWW

7.12

-42.7

-35.58
3 ssWpLFMKKRRMYRRRKIWW

7.18

-42.35

-35.17
4 ETWDLFMVKRRMYRRRKIWW

7.1

-42.06

-34.96
5 EsWDLFMVKRRMYRRRKIWW

7.05

-42.0

-34.95
6 ssWpLFMVKRRMYRRRKIWW

7.19

-41.05

-33.86
7 EsWsLFMKKRRMYRRRKIWW

7.04

-39.96

-32.92
8 EsWsLFMIKRRMYRRRKIWy

7.02

-39.72

-32.7
9 ETWpLFMVKRRMYRRRKIWW

6.91

-39.36

-32.45
10 DsWpLFMKKRRMYRRRKIWW

7.63

-39.97

-32.34
11 EsWDLFMKKRRMYRRRKIWW

6.89

-39.23

-32.34
12 DsWsLFMVKRRMYRRRKIWW

6.95

-39.08

-32.13
13 EsWDLFMIKRRMYRRRKIWW

7.43

-39.43

-32.0
14 EsWpLFMIKRRMYRRRKIWW

7.07

-38.93

-31.86
15 EsWsLFMVKRRMYRRRKIWW

7.27

-39.08

-31.81
16 ETWDLFMKKRRMYRRRKIWW

7.25

-38.56

-31.31
17 ETWsLFMKKRRMYRRRKIWW

7.24

-38.54

-31.3
18 ssWsLFMKKRRMYRRRKIWW

7.64

-38.83

-31.19
19 EsWsLFMIKRRMYRRRKIWW

7.1

-38.22

-31.12
20 ssWsLFMVKRRMYRRRKIWW

6.92

-37.97

-31.05
21 ETWsLFMVKRRMYRRRKIWW

7.87

-38.83

-30.96
22 ETWsLFMIKRRMYRRRKIWW

7.38

-38.31

-30.93
23 sTWsLFMKKRRMYRRRKIWW

8.02

-38.72

-30.7
24 ETWpLFMKKRRMYRRRKIWW

7.98

-38.63

-30.65
25 ETWpLFMIKRRMYRRRKIWW

7.57

-37.96

-30.39
26 ssWsLFMIKRRMYRRRKIWW

9.59

-39.95

-30.36
27 EsWpLFMKKRRMYRRRKIWy

7.21

-36.71

-29.5
28 EsWsLFMKKRRMYRRRKIWy

7.95

-37.28

-29.33
29 ETWDLFMIKRRMYRRRKIWW

7.9

-36.83

-28.93
30 DsWsLFMKKRRMYRRRKIWW

8.02

-36.4

-28.38

 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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