Predicted ligand sequences (modelled structure)


ADAN-name: CDC25_KJW-FYN-12.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 3.485 ΔGbinding -1.947
TOTAL
 1.538
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.243
Van der Waals -1.347 Backbone clash 0.000
Electrostatics 0.033 Helix dipole 0.000
Solvation Polar 1.508 Water bridges 0.000
Solvation Hyd -2.086 Disulfide 0.000
VdW clashes 0.019 Electrost. Kon 0.042
Entropy sc 0.290 Part.cov.bonds 0.000
Entropy mc

0.625

 ΔGstability

87.221
       

Predicted ligand sequences for model [CDC25_KJW-FYN-12.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-12.PDB  

(data)
# Predicted Sequences Value Calculate
1 ERYMDWFR 0.0
2 ERYMEWFR 0.01
3 ERFMDWFR 0.04
4 DRYMDWFR 0.04
5 ERIMDWFR 0.05
6 ERFMEWFR 0.05
7 YRYMDWFR 0.05
8 DRYMEWFR 0.05
9 ERIMEWFR 0.06
10 YRYMEWFR 0.06
11 ERYMPWFR 0.07
12 DRFMDWFR 0.08
13 EMYMDWFR 0.08
14 YRFMDWFR 0.09
15 DRIMDWFR 0.09
16 EMYMEWFR 0.09
17 EFYMDWFR 0.09
18 DRFMEWFR 0.09
19 EFYMEWFR 0.1
20 YRFMEWFR 0.1
21 YRIMDWFR 0.1
22 DRIMEWFR 0.1
23 ERFMPWFR 0.11
24 DRYMPWFR 0.11
25 YRIMEWFR 0.11
26 DMYMDWFR 0.12
27 EMFMDWFR 0.12
28 YRYMPWFR 0.12
29 DFYMDWFR 0.13
30 DMYMEWFR 0.13
31 ERIMPWFR 0.13
32 YMYMDWFR 0.13
33 EMFMEWFR 0.13
34 DFYMEWFR 0.14
35 YFYMDWFR 0.14
36 YMYMEWFR 0.14
37 EMIMDWFR 0.14
38 EMIMEWFR 0.14
39 EFFMDWFR 0.14
40 EFFMEWFR 0.14
41 EFIMEWFR 0.15
42 DRFMPWFR 0.15
43 YFYMEWFR 0.15
44 EFIMDWFR 0.15
45 DMFMDWFR 0.16
46 YRFMPWFR 0.16
47 DRIMPWFR 0.16
48 EMYMPWFR 0.16
49 DMFMEWFR 0.17
50 DFFMDWFR 0.17
51 DMIMDWFR 0.17
52 EFYMPWFR 0.17
53 DMIMEWFR 0.18
54 ERYMDWFK 0.18
55 DFFMEWFR 0.18
56 ERYMEWFK 0.18
57 YMFMEWFR 0.18
58 YMFMDWFR 0.18
59 DFIMDWFR 0.18
60 YRIMPWFR 0.18
61 YMIMEWFR 0.19
62 YMIMDWFR 0.19
63 DFIMEWFR 0.19
64 YFFMEWFR 0.19
65 YFFMDWFR 0.19
66 YFIMDWFR 0.2
67 EMFMPWFR 0.2
68 DMYMPWFR 0.2
69 YFIMEWFR 0.2
70 DFYMPWFR 0.21
71 EFFMPWFR 0.21
72 DRYMDWFK 0.21
73 YMYMPWFR 0.21
74 EMIMPWFR 0.21
75 ERFMDWFK 0.22
76 YFYMPWFR 0.22
77 EFIMPWFR 0.22
78 DRYMEWFK 0.22
79 ERIMDWFK 0.23
80 ERFMEWFK 0.23
81 YRYMDWFK 0.23
82 YRYMEWFK 0.23
83 ERIMEWFK 0.24
84 DMFMPWFR 0.24
85 ERYMPWFK 0.25
86 YMFMPWFR 0.25
87 DFFMPWFR 0.25
88 DMIMPWFR 0.25
89 YMIMPWFR 0.26
90 DFIMPWFR 0.26
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DRIMDWFR

2.47

-6.25

-3.78
2 EMFMDWFR

3.06

-6.45

-3.39
3 ERFMEWFR

2.45

-5.52

-3.07
4 ERIMDWFR

3.56

-6.62

-3.06
5 ERIMEWFR

3.46

-6.28

-2.82
6 ERFMDWFR

2.98

-5.6

-2.62
7 YRIMDWFR

3.82

-6.43

-2.61
8 YRIMEWFR

4.02

-6.55

-2.53
9 DRIMEWFR

3.78

-6.29

-2.51
10 ERYMPWFR

4.55

-6.3

-1.75
11 ERFMPWFR

4.12

-5.66

-1.54
12 DRFMEWFR

3.87

-5.25

-1.38
13 DRFMDWFR

4.27

-5.4

-1.13
14 EFYMDWFR

4.71

-5.83

-1.12
15 EMYMEWFR

4.47

-5.55

-1.08
16 YRFMDWFR

4.75

-5.73

-0.98
17 YRFMEWFR

4.41

-5.29

-0.88
18 ERYMDWFR

4.82

-5.68

-0.86
19 DRYMPWFR

4.86

-5.62

-0.76
20 YRYMEWFR

4.19

-4.89

-0.7
21 ERYMEWFR

4.76

-5.37

-0.61
22 DMYMEWFR

4.87

-5.41

-0.54
23 DMYMDWFR

5.66

-6.11

-0.45
24 DRYMEWFR

5.61

-5.91

-0.3
25 YRYMPWFR

5.09

-5.0

0.09
26 DRYMDWFR

5.84

-5.68

0.16
27 EMYMDWFR

6.4

-6.2

0.2
28 YRYMDWFR

5.61

-5.28

0.33
29 EFYMEWFR

5.47

-2.35

3.12
30 DFYMDWFR

7.65

-1.52

6.13

 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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