Predicted ligand sequences (modelled structure)


ADAN-name: CDC25_KJW-FYN-27.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
G
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 3.628 ΔGbinding -2.819
TOTAL
 0.809
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.208
Van der Waals -3.822 Backbone clash 0.151
Electrostatics -0.063 Helix dipole 0.000
Solvation Polar 4.274 Water bridges -0.026
Solvation Hyd -5.160 Disulfide 0.000
VdW clashes 0.597 Electrost. Kon -0.093
Entropy sc 0.543 Part.cov.bonds 0.000
Entropy mc

1.999

 ΔGstability

91.391
       

Predicted ligand sequences for model [CDC25_KJW-FYN-27.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-27.PDB  

(data)
# Predicted Sequences Value Calculate
1 AFPEMDSRR 0.0
2 AFPEMWSRR 0.0
3 AFPEMESRR 0.01
4 AFPEMDSRW 0.03
5 AFPEMWSRW 0.03
6 AFPEMESRW 0.04
7 AFPEMDSRP 0.06
8 AFPEMWSRP 0.06
9 AFPEMESRP 0.07
10 AKPEMDSRR 0.09
11 AKPEMWSRR 0.09
12 AKPEMESRR 0.1
13 AKPEMDSRW 0.12
14 AKPEMWSRW 0.12
15 AKPEMESRW 0.13
16 AFPLMDSRR 0.13
17 AFPLMESRR 0.14
18 AFPLMWSRR 0.14
19 AKPEMDSRP 0.15
20 AKPEMWSRP 0.15
21 AKPEMESRP 0.16
22 AFFEMWSRR 0.16
23 AFPLMDSRW 0.16
24 AFFEMDSRR 0.16
25 AFFEMESRR 0.17
26 AFPLMESRW 0.17
27 AFPLMWSRW 0.17
28 AFFEMWSRW 0.19
29 YFPEMWSRR 0.19
30 YFPEMDSRR 0.19
31 AFPLMDSRP 0.19
32 AFPLMWSRP 0.19
33 AFFEMDSRW 0.19
34 AFFEMESRW 0.2
35 GFPEMWSRR 0.2
36 AFPLMESRP 0.2
37 GFPEMDSRR 0.2
38 YFPEMESRR 0.2
39 AFREMDSRR 0.21
40 GFPEMESRR 0.21
41 AFREMWSRR 0.22
42 AKPLMDSRR 0.22
43 AFFEMWSRP 0.22
44 YFPEMWSRW 0.22
45 YFPEMDSRW 0.22
46 AFFEMDSRP 0.22
47 AFREMESRR 0.22
48 AFFEMESRP 0.23
49 AKPLMWSRR 0.23
50 GFPEMWSRW 0.23
51 YFPEMESRW 0.23
52 GFPEMDSRW 0.23
53 AKPLMESRR 0.23
54 AFREMDSRW 0.24
55 GFPEMESRW 0.24
56 AFREMWSRW 0.25
57 AKFEMDSRR 0.25
58 YFPEMWSRP 0.25
59 YFPEMDSRP 0.25
60 AFREMESRW 0.25
61 AKFEMWSRR 0.25
62 GFPEMESRP 0.26
63 AKPLMWSRW 0.26
64 AKFEMESRR 0.26
65 GFPEMDSRP 0.26
66 GFPEMWSRP 0.26
67 AKPLMDSRW 0.26
68 YFPEMESRP 0.26
69 AKPLMESRW 0.26
70 AFREMDSRP 0.27
71 AFREMWSRP 0.27
72 AKFEMDSRW 0.28
73 YKPEMWSRR 0.28
74 YKPEMDSRR 0.28
75 AKPLMDSRP 0.28
76 AFREMESRP 0.28
77 AKFEMWSRW 0.28
78 GKPEMWSRR 0.29
79 AKPLMWSRP 0.29
80 AKFEMESRW 0.29
81 AFFLMDSRR 0.29
82 AFPEMDSWR 0.29
83 AFPEMWSWR 0.29
84 YKPEMESRR 0.29
85 AFFLMWSRR 0.29
86 GKPEMDSRR 0.29
87 AKPLMESRP 0.29
88 AFFLMESRR 0.3
89 AFPEMESWR 0.3
90 GKPEMESRR 0.3
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 AFPEMDSRR

2.92

-8.69

-5.77
2 AKPEMDSRW

3.04

-8.67

-5.63
3 AFPLMDSRW

3.94

-9.54

-5.6
4 AFPEMESRP

3.08

-8.66

-5.58
5 AKPEMDSRP

3.1

-8.67

-5.57
6 AFPLMWSRW

3.09

-8.52

-5.43
7 AFPEMESRR

2.91

-8.34

-5.43
8 AFFEMWSRR

3.44

-8.66

-5.22
9 AFFEMESRR

3.44

-8.4

-4.96
10 AFPEMWSRP

4.26

-9.18

-4.92
11 AFFEMWSRW

3.44

-8.28

-4.84
12 AFFEMDSRR

3.47

-8.3

-4.83
13 AKPEMWSRR

2.91

-7.36

-4.45
14 AKPEMDSRR

3.15

-7.6

-4.45
15 AFPEMDSRW

4.73

-8.94

-4.21
16 AKPEMWSRP

3.45

-7.52

-4.07
17 AFPLMESRW

3.19

-7.18

-3.99
18 AFPLMWSRR

2.9

-6.47

-3.57
19 AFPLMESRR

4.34

-7.69

-3.35
20 AKPEMWSRW

2.98

-6.33

-3.35
21 AKPEMESRP

2.96

-6.13

-3.17
22 AFPEMWSRR

4.54

-7.65

-3.11
23 AFPEMDSRP

2.87

-5.92

-3.05
24 AKPEMESRW

2.86

-5.89

-3.03
25 AKPEMESRR

3.01

-5.59

-2.58
26 AFPEMESRW

4.21

-6.61

-2.4
27 AFPLMDSRR

7.37

-9.34

-1.97
28 YFPEMWSRR

4.88

-6.59

-1.71
29 YFPEMDSRR

5.41

-6.92

-1.51
30 AFPEMWSRW

4.43

-5.87

-1.44

 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