Predicted ligand sequences (modelled structure)


ADAN-name: CDC25_KJW-FYN-15.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    

(Help)

Intraclash 4.751 ΔGbinding -3.045
TOTAL
 1.706
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.632
Van der Waals -3.607 Backbone clash 0.305
Electrostatics 0.117 Helix dipole 0.002
Solvation Polar 3.408 Water bridges -0.005
Solvation Hyd -5.659 Disulfide 0.000
VdW clashes 0.158 Electrost. Kon 0.160
Entropy sc 0.452 Part.cov.bonds 0.000
Entropy mc

2.573

 ΔGstability

92.908
       

Predicted ligand sequences for model [CDC25_KJW-FYN-15.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-15.PDB  

(data)
# Predicted Sequences Value Calculate
1 YKEIILLDK 0.0
2 YKEIILKDK 0.04
3 YKEIILEDK 0.05
4 YFEIILLDK 0.16
5 YKDIILLDK 0.16
6 YFEIILKDK 0.2
7 YKFIILLDK 0.2
8 YKEIVLLDK 0.2
9 YKDIILKDK 0.2
10 YKDIILEDK 0.21
11 YFEIILEDK 0.21
12 YKEIFLLDK 0.23
13 YKEIVLKDK 0.24
14 YIEIILLDK 0.25
15 YKEIVLEDK 0.25
16 YKFIILKDK 0.25
17 YKFIILEDK 0.26
18 YKEIFLKDK 0.27
19 YKEIFLEDK 0.29
20 YIEIILKDK 0.29
21 YIEIILEDK 0.3
22 YFDIILLDK 0.32
23 YKEVILLDK 0.33
24 FKEIILLDK 0.36
25 YFEIVLLDK 0.36
26 YFDIILKDK 0.36
27 YKDIVLLDK 0.36
28 YFFIILLDK 0.36
29 YKEVILKDK 0.38
30 YFDIILEDK 0.38
31 YKEVILEDK 0.39
32 YFEIFLLDK 0.39
33 YKDIFLLDK 0.39
34 YFEIVLKDK 0.4
35 YKFIVLLDK 0.4
36 YKDIVLKDK 0.4
37 YFEIVLEDK 0.41
38 YFFIILKDK 0.41
39 YKDIVLEDK 0.41
40 FKEIILKDK 0.41
41 YIDIILLDK 0.41
42 YFFIILEDK 0.42
43 FKEIILEDK 0.42
44 YFEIFLKDK 0.43
45 YKDIFLKDK 0.43
46 YKFIFLLDK 0.44
47 YIEIVLLDK 0.45
48 YIFIILLDK 0.45
49 YIDIILKDK 0.45
50 YKDIFLEDK 0.45
51 YKFIVLKDK 0.45
52 YFEIFLEDK 0.45
53 YIDIILEDK 0.46
54 YKFIVLEDK 0.46
55 MKEIILLDK 0.48
56 YIEIFLLDK 0.48
57 YKFIFLKDK 0.48
58 YKDVILLDK 0.49
59 YIEIVLKDK 0.49
60 YKEIIILDK 0.49
61 YFEVILLDK 0.49
62 YKFIFLEDK 0.49
63 YIFIILKDK 0.5
64 YKEWILLDK 0.5
65 YIEIVLEDK 0.5
66 YIFIILEDK 0.51
67 YFDIVLLDK 0.52
68 YIEIFLKDK 0.52
69 FFEIILLDK 0.52
70 MKEIILKDK 0.52
71 YKEVVLLDK 0.53
72 FKDIILLDK 0.53
73 YIEIFLEDK 0.53
74 MKEIILEDK 0.53
75 YKEWILKDK 0.54
76 YKDVILKDK 0.54
77 YFEVILKDK 0.54
78 YKEIIIKDK 0.54
79 YKFVILLDK 0.54
80 YKEIIIEDK 0.55
81 YKEWILEDK 0.55
82 YKDVILEDK 0.55
83 YFEVILEDK 0.55
84 YFDIFLLDK 0.55
85 FKEIVLLDK 0.56
86 YFDIVLKDK 0.56
87 YFFIVLLDK 0.56
88 YKEVFLLDK 0.57
89 FKFIILLDK 0.57
90 YFDIVLEDK 0.57
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 YFDIILEDK

2.1

-9.92

-7.82
2 YIEIILLDK

2.73

-10.44

-7.71
3 YFDIILLDK

2.79

-10.47

-7.68
4 YKEIVLKDK

2.03

-9.68

-7.65
5 YFEIILEDK

2.24

-9.88

-7.64
6 YFEIVLLDK

2.74

-10.36

-7.62
7 YIEIILEDK

2.84

-10.39

-7.55
8 YFEIILKDK

2.61

-10.06

-7.45
9 YKEIVLLDK

2.84

-10.28

-7.44
10 YKEIILKDK

2.71

-10.11

-7.4
11 YKEIILLDK

2.7

-10.03

-7.33
12 YFDIILKDK

2.94

-10.26

-7.32
13 YKEIFLEDK

2.74

-10.05

-7.31
14 YKEVILKDK

1.92

-9.22

-7.3
15 YFFIILLDK

2.66

-9.94

-7.28
16 YKEIFLKDK

2.77

-10.0

-7.23
17 YIEIILKDK

2.98

-10.2

-7.22
18 YKDIVLLDK

2.76

-9.92

-7.16
19 YFEIILLDK

3.05

-10.17

-7.12
20 YKDIILEDK

2.83

-9.93

-7.1
21 YKEVILLDK

2.65

-9.73

-7.08
22 YKEIILEDK

2.29

-9.34

-7.05
23 YKFIILEDK

2.9

-9.81

-6.91
24 YKEIFLLDK

2.96

-9.8

-6.84
25 YKFIILLDK

3.51

-10.11

-6.6
26 YKDIILKDK

2.47

-9.06

-6.59
27 YKEIVLEDK

2.65

-9.2

-6.55
28 FKEIILLDK

2.65

-9.16

-6.51
29 YKFIILKDK

3.42

-9.89

-6.47
30 YKDIILLDK

3.11

-9.31

-6.2

 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