Predicted ligand sequences (modelled structure)


ADAN-name: CDC25_KJW-FYN-1.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    

(Help)

Intraclash 4.934 ΔGbinding -3.540
TOTAL
 1.394
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 1.645
Van der Waals -4.510 Backbone clash 0.071
Electrostatics -0.191 Helix dipole 0.000
Solvation Polar 4.288 Water bridges -0.027
Solvation Hyd -6.970 Disulfide 0.000
VdW clashes 0.541 Electrost. Kon -0.247
Entropy sc 0.667 Part.cov.bonds 0.000
Entropy mc

2.538

 ΔGstability

91.396
       

Predicted ligand sequences for model [CDC25_KJW-FYN-1.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-1.PDB  

(data)
# Predicted Sequences Value Calculate
1 MESRDLLDLY 0.0
2 MESRELLDLY 0.01
3 MEDRDLLDLY 0.04
4 WESRDLLDLY 0.05
5 MEDRELLDLY 0.05
6 MELRDLLDLY 0.06
7 WESRELLDLY 0.06
8 MELRELLDLY 0.06
9 WEDRDLLDLY 0.1
10 WEDRELLDLY 0.1
11 WELRDLLDLY 0.11
12 WELRELLDLY 0.11
13 MESRPLLDLY 0.23
14 RESRDLLDLY 0.24
15 RESRELLDLY 0.24
16 MESRELPDLY 0.25
17 MESRDLPDLY 0.25
18 MESRDLLELY 0.26
19 MESRELLELY 0.27
20 MEDRPLLDLY 0.28
21 REDRDLLDLY 0.28
22 MELRPLLDLY 0.29
23 REDRELLDLY 0.29
24 MEDRDLPDLY 0.29
25 RELRDLLDLY 0.29
26 WESRPLLDLY 0.29
27 MELRDLPDLY 0.3
28 WESRDLPDLY 0.3
29 MEDRELPDLY 0.3
30 RELRELLDLY 0.3
31 MELRELPDLY 0.31
32 WESRELPDLY 0.31
33 MEDRELLELY 0.31
34 MEDRDLLELY 0.31
35 WESRDLLELY 0.32
36 WESRELLELY 0.32
37 MELRELLELY 0.32
38 MELRDLLELY 0.32
39 MESRDLLDNY 0.33
40 MESRELLDNY 0.33
41 WEDRPLLDLY 0.33
42 WELRPLLDLY 0.34
43 MESRDLLDIY 0.35
44 MESQDLLDLY 0.35
45 WEDRELPDLY 0.35
46 WEDRDLPDLY 0.35
47 WELRDLPDLY 0.36
48 WEDRELLELY 0.36
49 MESIDLLDLY 0.36
50 WEDRDLLELY 0.36
51 MESQELLDLY 0.36
52 WELRELPDLY 0.36
53 MESIELLDLY 0.36
54 MESRELLDIY 0.36
55 WELRDLLELY 0.37
56 MEDRDLLDNY 0.37
57 MESRDWLDLY 0.38
58 MEDRELLDNY 0.38
59 WELRELLELY 0.38
60 MELRDLLDNY 0.38
61 MESREWLDLY 0.38
62 WESRDLLDNY 0.38
63 MELRELLDNY 0.39
64 WESRELLDNY 0.39
65 MEDRELLDIY 0.4
66 MEDRDLLDIY 0.4
67 MEDQDLLDLY 0.4
68 MEDIDLLDLY 0.4
69 WESRDLLDIY 0.4
70 MEDQELLDLY 0.4
71 MELRELLDIY 0.41
72 WESIDLLDLY 0.41
73 MELIDLLDLY 0.41
74 MELQDLLDLY 0.41
75 MELRDLLDIY 0.41
76 MEDIELLDLY 0.41
77 MELQELLDLY 0.41
78 WESQDLLDLY 0.41
79 WESQELLDLY 0.41
80 WESRELLDIY 0.41
81 WESIELLDLY 0.42
82 MEDRDWLDLY 0.42
83 MELIELLDLY 0.42
84 WESRDWLDLY 0.43
85 WELRDLLDNY 0.43
86 MELRDWLDLY 0.43
87 MEDREWLDLY 0.43
88 WEDRDLLDNY 0.43
89 WEDRELLDNY 0.43
90 WELRELLDNY 0.44
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 MESRDLPDLY

4.41

-11.05

-6.64
2 MELRDLPDLY

3.55

-10.13

-6.58
3 MELRPLLDLY

4.57

-11.04

-6.47
4 MEDRPLLDLY

5.04

-11.32

-6.28
5 MEDRELLDLY

4.51

-10.77

-6.26
6 WELRELLDLY

4.63

-10.83

-6.2
7 WESRDLLDLY

5.11

-11.28

-6.17
8 MELRDLLDLY

4.94

-11.06

-6.12
9 WESRELLDLY

4.68

-10.68

-6.0
10 MEDRDLLDLY

4.14

-10.07

-5.93
11 MESRDLLDLY

5.38

-11.3

-5.92
12 MESRELPDLY

4.44

-10.31

-5.87
13 WESRDLPDLY

3.76

-9.54

-5.78
14 MESRPLLDLY

5.02

-10.75

-5.73
15 MEDRDLPDLY

4.29

-9.91

-5.62
16 WEDRDLLDLY

4.78

-10.33

-5.55
17 MEDRELPDLY

5.14

-10.68

-5.54
18 REDRDLLDLY

5.59

-11.12

-5.53
19 REDRELLDLY

5.39

-10.9

-5.51
20 MESRDLLELY

4.85

-10.31

-5.46
21 MELRELLDLY

5.28

-10.7

-5.42
22 MESRELLDLY

5.17

-10.58

-5.41
23 WESRPLLDLY

5.0

-10.34

-5.34
24 RELRDLLDLY

5.68

-10.96

-5.28
25 WEDRELLDLY

3.96

-9.24

-5.28
26 MESRELLELY

5.31

-10.45

-5.14
27 RELRELLDLY

4.92

-9.96

-5.04
28 WELRDLLDLY

4.84

-9.87

-5.03
29 RESRELLDLY

5.05

-10.02

-4.97
30 RESRDLLDLY

5.01

-9.72

-4.71

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER