Predicted ligand sequences (modelled structure)


ADAN-name: CDC25_KJW-FYN-25.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
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 3.529 ΔGbinding -0.163
TOTAL
 3.366
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.438
Van der Waals -3.600 Backbone clash 0.135
Electrostatics 0.057 Helix dipole 0.000
Solvation Polar 3.306 Water bridges -0.006
Solvation Hyd -5.310 Disulfide 0.000
VdW clashes 1.583 Electrost. Kon 0.074
Entropy sc 0.075 Part.cov.bonds 0.000
Entropy mc

3.220

 ΔGstability

93.242
       

Predicted ligand sequences for model [CDC25_KJW-FYN-25.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-25.PDB  

(data)
# Predicted Sequences Value Calculate
1 DRMPLHDFF 0.0
2 DRMPLHEFF 0.0
3 ERMPLHEFF 0.05
4 ERMPLHDFF 0.05
5 DRMPLHPFF 0.08
6 DRMPLHERF 0.13
7 ERMPLHPFF 0.13
8 DRMPLHDRF 0.14
9 ERMPLHERF 0.18
10 ERMPLHDRF 0.18
11 DRMELHEFF 0.21
12 DRMPLHPRF 0.21
13 DRMELHDFF 0.21
14 DRMPIHEFF 0.23
15 DFMPLHDFF 0.23
16 DFMPLHEFF 0.23
17 DRMPIHDFF 0.24
18 ERMELHEFF 0.25
19 DMMPLHEFF 0.25
20 DMMPLHDFF 0.25
21 ERMPLHPRF 0.26
22 DRMPLHEAF 0.26
23 ERMELHDFF 0.26
24 EFMPLHEFF 0.27
25 DRMPLHDAF 0.27
26 DRMELHPFF 0.28
27 ERMPIHEFF 0.28
28 EFMPLHDFF 0.28
29 DRMWLHEFF 0.28
30 ERMPIHDFF 0.29
31 DRMWLHDFF 0.29
32 DFMPLHPFF 0.3
33 EMMPLHDFF 0.3
34 EMMPLHEFF 0.3
35 ERMPLHEAF 0.31
36 ERMPLHDAF 0.31
37 DRMPIHPFF 0.31
38 DMMPLHPFF 0.33
39 ERMELHPFF 0.33
40 ERMWLHDFF 0.33
41 ERMWLHEFF 0.33
42 DRMELHDRF 0.34
43 DRMELHERF 0.34
44 DRMPLHPAF 0.34
45 EFMPLHPFF 0.35
46 DRMWLHPFF 0.36
47 DFMPLHERF 0.36
48 ERMPIHPFF 0.36
49 DFMPLHDRF 0.36
50 DRMPIHDRF 0.37
51 DRMPIHERF 0.37
52 DMMPLHERF 0.38
53 EMMPLHPFF 0.38
54 ERMELHDRF 0.39
55 DMMPLHDRF 0.39
56 ERMELHERF 0.39
57 ERMPLHPAF 0.39
58 EFMPLHDRF 0.41
59 EFMPLHERF 0.41
60 DRMWLHERF 0.41
61 ERMWLHPFF 0.41
62 ERMPIHERF 0.41
63 DRMWLHDRF 0.42
64 DRMELHPRF 0.42
65 ERMPIHDRF 0.42
66 DFMELHDFF 0.43
67 EMMPLHDRF 0.43
68 DFMELHEFF 0.43
69 EMMPLHERF 0.43
70 DRMEIHDFF 0.44
71 DRMEIHEFF 0.44
72 DFMPLHPRF 0.44
73 HRMPLHDFF 0.45
74 HRMPLHEFF 0.45
75 DMMELHEFF 0.45
76 DRMPIHPRF 0.45
77 ERMWLHERF 0.46
78 DMMELHDFF 0.46
79 DFMPIHDFF 0.46
80 DFMPIHEFF 0.46
81 DMMPLHPRF 0.46
82 DRMELHEAF 0.47
83 DRMELHDAF 0.47
84 ERMWLHDRF 0.47
85 ERMELHPRF 0.47
86 DMMPIHEFF 0.48
87 EFMPLHPRF 0.48
88 EFMELHEFF 0.48
89 EFMELHDFF 0.48
90 DMMPIHDFF 0.49
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 ERMPLHERF

3.2

-9.05

-5.85
2 ERMPLHPRF

4.07

-9.49

-5.42
3 ERMPLHEFF

3.49

-7.94

-4.45
4 DMMPLHEFF

3.99

-8.36

-4.37
5 DMMPLHDFF

3.96

-8.08

-4.12
6 DRMELHDFF

3.57

-7.44

-3.87
7 ERMPLHPFF

3.62

-7.41

-3.79
8 DRMELHPFF

3.42

-7.14

-3.72
9 DRMPLHDRF

3.55

-7.27

-3.72
10 DRMPLHDAF

2.54

-6.09

-3.55
11 ERMPLHDFF

3.58

-7.08

-3.5
12 ERMELHDFF

3.09

-6.53

-3.44
13 EFMPLHDFF

3.44

-6.83

-3.39
14 DRMELHEFF

3.76

-7.12

-3.36
15 DRMPLHPFF

4.49

-7.79

-3.3
16 DRMPLHDFF

4.25

-7.43

-3.18
17 ERMPLHDRF

3.66

-6.82

-3.16
18 ERMELHEFF

4.08

-7.21

-3.13
19 DRMPLHEFF

4.03

-7.14

-3.11
20 DRMPLHERF

3.84

-6.91

-3.07
21 DFMPLHEFF

4.38

-7.41

-3.03
22 EFMPLHEFF

3.45

-6.48

-3.03
23 ERMPIHDFF

3.66

-6.56

-2.9
24 ERMPIHEFF

5.15

-8.02

-2.87
25 DRMPIHEFF

4.76

-7.61

-2.85
26 DRMWLHEFF

4.03

-6.88

-2.85
27 DRMPIHDFF

4.04

-6.79

-2.75
28 DFMPLHDFF

4.03

-6.63

-2.6
29 DRMPLHEAF

3.58

-5.94

-2.36
30 DRMPLHPRF

4.53

-6.61

-2.08

 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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