Predicted ligand sequences (modelled structure)


ADAN-name: CDC25_KJW-FYN-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 3.683 ΔGbinding -3.102
TOTAL
 0.581
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.591
Van der Waals -4.611 Backbone clash 0.013
Electrostatics 0.072 Helix dipole 0.002
Solvation Polar 4.040 Water bridges 0.000
Solvation Hyd -7.162 Disulfide 0.000
VdW clashes 1.026 Electrost. Kon 0.086
Entropy sc 0.480 Part.cov.bonds 0.000
Entropy mc

3.649

 ΔGstability

88.851
       

Predicted ligand sequences for model [CDC25_KJW-FYN-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).
 
  CDC25_KJW-FYN-17.PDB  

(data)
# Predicted Sequences Value Calculate
1 HPVIDGWKY 0.0
2 HPIIDGWKY 0.01
3 HPDIDGWKY 0.05
4 HPVIDGWKW 0.06
5 HPIIDGWKW 0.07
6 HPDIDGWKW 0.11
7 HPVIDGWKF 0.13
8 HPIIDGWKF 0.14
9 HPDIDGWKF 0.18
10 HPVIPGWKY 0.18
11 HPIIPGWKY 0.19
12 HPVIDGEKY 0.21
13 HPIIDGEKY 0.22
14 YPVIDGWKY 0.23
15 HPDIPGWKY 0.23
16 HPVIPGWKW 0.24
17 YPIIDGWKY 0.24
18 HPIIPGWKW 0.25
19 HPDIDGEKY 0.26
20 HPVIDGEKW 0.27
21 HPIIDGEKW 0.28
22 YPDIDGWKY 0.29
23 HPVIDGRKY 0.3
24 YPVIDGWKW 0.3
25 HPDIPGWKW 0.3
26 YPIIDGWKW 0.3
27 HPVIPGWKF 0.31
28 HPIIDGRKY 0.31
29 HPIIPGWKF 0.32
30 HPDIDGEKW 0.33
31 HPVIDGEKF 0.34
32 HPDIDGRKY 0.35
33 HPIIDGEKF 0.35
34 YPDIDGWKW 0.35
35 HPVIDGRKW 0.36
36 YPVIDGWKF 0.36
37 HPVIDGWMY 0.36
38 HPDIPGWKF 0.37
39 HPIIDGWMY 0.37
40 YPIIDGWKF 0.37
41 HPIIDGRKW 0.37
42 HPVIPGEKY 0.39
43 HPVMDGWKY 0.39
44 HPDIDGEKF 0.4
45 HPIIPGEKY 0.4
46 HPIMDGWKY 0.4
47 HPVIDGWRY 0.4
48 HPDIDGRKW 0.41
49 HPDIDGWMY 0.41
50 HPIIDGWRY 0.41
51 YPDIDGWKF 0.42
52 HPVIDGWMW 0.42
53 YPVIPGWKY 0.42
54 YPIIPGWKY 0.43
55 HPVIDGRKF 0.43
56 HPIIDGWMW 0.43
57 HPIIDGRKF 0.44
58 HPDMDGWKY 0.45
59 YPIIDGEKY 0.45
60 HPVIPGEKW 0.45
61 YPVIDGEKY 0.45
62 HPDIDGWRY 0.45
63 HPVMDGWKW 0.45
64 HPDIPGEKY 0.45
65 HPIIPGEKW 0.46
66 HPIMDGWKW 0.46
67 HPVIDGWRW 0.46
68 HPIIDGWRW 0.47
69 YPDIPGWKY 0.47
70 HPDIDGRKF 0.48
71 HPDIDGWMW 0.48
72 HPVIPGRKY 0.48
73 YPVIPGWKW 0.48
74 YPIIPGWKW 0.49
75 HPIIPGRKY 0.49
76 HPVIDGWMF 0.49
77 YPDIDGEKY 0.5
78 HPIIDGWMF 0.5
79 HPDMDGWKW 0.51
80 YPVIDGEKW 0.51
81 HPDIDGWRW 0.51
82 HPDIPGEKW 0.51
83 YPIIDGEKW 0.52
84 HPVIPGEKF 0.52
85 HPVMDGWKF 0.52
86 YPDIPGWKW 0.53
87 YPVIDGRKY 0.53
88 HPDIPGRKY 0.53
89 HPIMDGWKF 0.53
90 HPIIPGEKF 0.53
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 YPDIDGWKY

3.75

-9.86

-6.11
2 YPVIDGWKY

3.68

-9.31

-5.63
3 HPDIPGWKY

3.65

-8.56

-4.91
4 HPVIPGWKF

3.72

-8.59

-4.87
5 HPIIPGWKY

3.79

-8.54

-4.75
6 YPIIDGWKY

3.74

-8.31

-4.57
7 HPIIDGWKY

3.47

-7.99

-4.52
8 HPVIPGWKY

3.89

-8.32

-4.43
9 YPVIDGWKW

4.03

-8.38

-4.35
10 HPVIDGEKY

3.55

-7.86

-4.31
11 HPIIPGWKF

3.82

-8.12

-4.3
12 HPIIDGWKF

4.08

-8.24

-4.16
13 HPDIDGWKF

4.17

-8.28

-4.11
14 HPVIDGWKF

4.4

-8.5

-4.1
15 HPDIDGWKY

3.73

-7.82

-4.09
16 HPIIDGRKY

2.96

-6.99

-4.03
17 HPVIDGRKY

3.0

-7.01

-4.01
18 HPDIDGEKW

3.94

-7.92

-3.98
19 HPDIDGEKY

4.48

-8.39

-3.91
20 HPVIPGWKW

4.02

-7.59

-3.57
21 YPIIDGWKW

4.42

-7.93

-3.51
22 HPVIDGEKW

3.74

-7.24

-3.5
23 HPIIPGWKW

4.31

-7.77

-3.46
24 HPIIDGEKW

4.18

-7.62

-3.44
25 HPDIDGWKW

4.28

-7.57

-3.29
26 HPIIDGWKW

3.89

-6.98

-3.09
27 HPVIDGWKW

3.89

-6.88

-2.99
28 HPIIDGEKY

4.39

-7.24

-2.85
29 HPDIPGWKW

4.57

-7.3

-2.73
30 HPVIDGWKY

4.37

-6.69

-2.32

 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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