Predicted ligand sequences (modelled structure)


ADAN-name: CDC25_KJW-FYN-28.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 3.877 ΔGbinding -2.102
TOTAL
 1.775
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.314
Van der Waals -4.630 Backbone clash 0.184
Electrostatics 0.171 Helix dipole 0.002
Solvation Polar 4.242 Water bridges 0.004
Solvation Hyd -7.102 Disulfide 0.000
VdW clashes 0.221 Electrost. Kon 0.223
Entropy sc 0.337 Part.cov.bonds 0.000
Entropy mc

4.117

 ΔGstability

93.401
       

Predicted ligand sequences for model [CDC25_KJW-FYN-28.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-28.PDB  

(data)
# Predicted Sequences Value Calculate
1 FRDIDPEPSM 0.0
2 FRDIDEEPSM 0.0
3 FRDIDPEESM 0.03
4 FRDIDEEESM 0.04
5 FRDIPPEPSM 0.05
6 FRDIPEEPSM 0.06
7 FRDIPPEESM 0.08
8 FRDIPEEESM 0.09
9 FREIDEEPSM 0.09
10 FREIDPEPSM 0.09
11 FRDIDPEKSM 0.09
12 FRDIDEEKSM 0.1
13 FRDIDIEPSM 0.11
14 FREIDPEESM 0.12
15 FREIDEEESM 0.12
16 FREIPPEPSM 0.14
17 FRDIDPWPSM 0.14
18 FRDIDIEESM 0.14
19 FREIPEEPSM 0.14
20 FRDIDEWPSM 0.14
21 FRDIDPEPTM 0.15
22 FRDIDPEPIM 0.15
23 FRDIPPEKSM 0.15
24 FRDIDPFPSM 0.15
25 FRDIPEEKSM 0.15
26 FRDIDEFPSM 0.16
27 FRDIDEEPIM 0.16
28 FRDIDEEPTM 0.16
29 FRDIPIEPSM 0.16
30 FRDIIPEPSM 0.16
31 FRDIIEEPSM 0.16
32 FREIPPEESM 0.17
33 FRDIDPWESM 0.17
34 FREIPEEESM 0.17
35 FREIDPEKSM 0.18
36 FRDIDPEETM 0.18
37 FRDIDEWESM 0.18
38 FREIDEEKSM 0.18
39 FRDIDEFESM 0.19
40 FRDIPPWPSM 0.19
41 FRDIDEEEIM 0.19
42 FRDIIEEESM 0.19
43 FRDIPIEESM 0.19
44 FRDIDEEETM 0.19
45 FRDIDPFESM 0.19
46 FRDIDPEEIM 0.19
47 FRDIIPEESM 0.19
48 FRDIDIEKSM 0.2
49 MRDIDPEPSM 0.2
50 FRDIPEWPSM 0.2
51 FREIDIEPSM 0.2
52 MRDIDEEPSM 0.2
53 FRDIPEEPIM 0.21
54 FRDIPPFPSM 0.21
55 FRDIPPEPTM 0.21
56 FRDIPEEPTM 0.21
57 FRDIPPEPIM 0.21
58 FRDIPEFPSM 0.21
59 FRDIPPWESM 0.22
60 FRDIDPWKSM 0.23
61 FREIDPWPSM 0.23
62 FREIDEWPSM 0.23
63 MRDIDPEESM 0.23
64 FREIPPEKSM 0.23
65 FREIDIEESM 0.23
66 FRDIPEWESM 0.23
67 MRDIDEEESM 0.23
68 FRDIPEEETM 0.24
69 FREIDPEPTM 0.24
70 FRDIDEWKSM 0.24
71 FRDIPPFESM 0.24
72 FREIDPEPIM 0.24
73 FREIDEEPTM 0.24
74 FRDIPPEEIM 0.24
75 FREIIPEPSM 0.24
76 FRDIPPEETM 0.24
77 FRDIPEFESM 0.24
78 FRDIPEEEIM 0.24
79 FREIDPFPSM 0.24
80 FREIPEEKSM 0.24
81 FRDIDEEKIM 0.25
82 MRDIPPEPSM 0.25
83 FREIPIEPSM 0.25
84 FRDIDEFKSM 0.25
85 FRDIDPFKSM 0.25
86 FRDIDPEKIM 0.25
87 FRDIIPEKSM 0.25
88 MRDIPEEPSM 0.25
89 FRDIDEEKTM 0.25
90 FREIDEEPIM 0.25
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FRDIDIEESM

3.03

-8.22

-5.19
2 FRDIDIEPSM

3.14

-7.94

-4.8
3 FRDIPPEESM

3.33

-8.05

-4.72
4 FRDIPEEKSM

3.98

-8.65

-4.67
5 FREIPPEPSM

3.54

-8.06

-4.52
6 FRDIPPEKSM

3.47

-7.81

-4.34
7 FRDIPIEPSM

3.67

-7.77

-4.1
8 FRDIPEEPSM

4.09

-8.06

-3.97
9 FRDIPPEPSM

3.28

-7.22

-3.94
10 FREIPEEPSM

4.57

-8.25

-3.68
11 FRDIPEEESM

3.22

-6.87

-3.65
12 FRDIDPEESM

3.12

-6.7

-3.58
13 FREIDEEESM

4.08

-7.57

-3.49
14 FREIDPEESM

3.49

-6.78

-3.29
15 FRDIDEEKSM

3.38

-6.41

-3.03
16 FRDIDEWPSM

5.11

-7.93

-2.82
17 FRDIIPEPSM

4.7

-7.48

-2.78
18 FRDIDPEPIM

4.47

-7.21

-2.74
19 FREIDPEPSM

3.64

-6.31

-2.67
20 FRDIDPEKSM

5.37

-7.94

-2.57
21 FRDIDPFPSM

4.78

-7.29

-2.51
22 FRDIDPEPSM

4.6

-7.07

-2.47
23 FRDIDEEPSM

4.05

-6.44

-2.39
24 FRDIDEEPTM

5.45

-7.76

-2.31
25 FRDIDEEPIM

6.04

-8.16

-2.12
26 FRDIDPEPTM

4.07

-6.14

-2.07
27 FRDIDEEESM

3.54

-5.55

-2.01
28 FRDIDPWPSM

4.18

-6.03

-1.85
29 FRDIDEFPSM

4.42

-6.2

-1.78
30 FREIDEEPSM

7.99

-6.11

1.88

 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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