Predicted ligand sequences (modelled structure)


ADAN-name: CDC25_KJW-FYN-14.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 3.633 ΔGbinding -2.333
TOTAL
 1.300
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.552
Van der Waals -3.531 Backbone clash 0.129
Electrostatics 0.084 Helix dipole 0.001
Solvation Polar 3.344 Water bridges -0.000
Solvation Hyd -5.635 Disulfide 0.000
VdW clashes 0.107 Electrost. Kon 0.109
Entropy sc 0.352 Part.cov.bonds 0.000
Entropy mc

3.557

 ΔGstability

87.802
       

Predicted ligand sequences for model [CDC25_KJW-FYN-14.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-14.PDB  

(data)
# Predicted Sequences Value Calculate
1 KPFLIFEIL 0.0
2 KPFLILEIL 0.0
3 MPFLIFEIL 0.01
4 MPFLILEIL 0.01
5 KPFLIYEIL 0.02
6 KPFLVFEIL 0.04
7 KPFLVLEIL 0.04
8 MPFLIYEIL 0.04
9 MPFLVLEIL 0.05
10 MPFLVFEIL 0.05
11 KPPLIFEIL 0.06
12 KPFLVYEIL 0.06
13 KPELIFEIL 0.06
14 KPELILEIL 0.06
15 KPPLILEIL 0.07
16 MPELILEIL 0.07
17 MPELIFEIL 0.07
18 MPFLVYEIL 0.07
19 MPPLIFEIL 0.08
20 MPPLILEIL 0.08
21 KPELIYEIL 0.08
22 KPELVFEIL 0.09
23 KPPLIYEIL 0.09
24 MPELIYEIL 0.09
25 KPPLVLEIL 0.1
26 KPELVLEIL 0.1
27 KPPLVFEIL 0.1
28 MPPLIYEIL 0.1
29 MPPLVLEIL 0.11
30 MPELVFEIL 0.11
31 MPELVLEIL 0.11
32 MPPLVFEIL 0.11
33 KPELVYEIL 0.12
34 KPPLVYEIL 0.12
35 MPPLVYEIL 0.13
36 MPELVYEIL 0.13
37 RPFLILEIL 0.15
38 RPFLIFEIL 0.15
39 KPFLILKIL 0.17
40 RPFLIYEIL 0.17
41 KPFLIFKIL 0.17
42 RPFLVLEIL 0.18
43 KPFLIFWIL 0.18
44 RPFLVFEIL 0.18
45 KPFLILWIL 0.18
46 MPFLIFKIL 0.19
47 MPFLILKIL 0.19
48 KPFLIYKIL 0.2
49 MPFLIFWIL 0.2
50 MPFLILWIL 0.2
51 RPELIFEIL 0.21
52 RPFLVYEIL 0.21
53 RPELILEIL 0.21
54 MPFLIYKIL 0.21
55 KPFLVLKIL 0.21
56 KPFLIYWIL 0.21
57 RPPLILEIL 0.21
58 KPFLVFKIL 0.21
59 RPPLIFEIL 0.21
60 MPFLIYWIL 0.22
61 MPFLVLKIL 0.22
62 KPFLVFWIL 0.22
63 MPFLVFKIL 0.22
64 KPFLVLWIL 0.22
65 MPFLVLWIL 0.23
66 KPFLVYKIL 0.23
67 RPELIYEIL 0.23
68 KPELIFKIL 0.23
69 KPELILKIL 0.23
70 RPPLIYEIL 0.23
71 MPFLVFWIL 0.23
72 KPPLIFKIL 0.24
73 RPELVFEIL 0.24
74 KPELILWIL 0.24
75 MPFLVYKIL 0.24
76 KPPLILKIL 0.24
77 KPFLVYWIL 0.24
78 RPELVLEIL 0.24
79 KPELIFWIL 0.24
80 MPELIFKIL 0.24
81 MPELIFWIL 0.25
82 MPPLIFKIL 0.25
83 RPPLVFEIL 0.25
84 RPPLVLEIL 0.25
85 MPPLILKIL 0.25
86 KPPLIFWIL 0.25
87 MPFLVYWIL 0.25
88 MPELILKIL 0.25
89 KPPLILWIL 0.25
90 MPPLILWIL 0.26
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 KPPLVFEIL

4.59

-11.96

-7.37
2 MPPLVLEIL

4.26

-11.21

-6.95
3 KPELVLEIL

4.22

-10.95

-6.73
4 MPPLIFEIL

4.5

-10.83

-6.33
5 MPPLILEIL

4.56

-10.74

-6.18
6 MPELIFEIL

4.43

-10.6

-6.17
7 MPPLIYEIL

5.26

-11.4

-6.14
8 KPPLIYEIL

4.4

-10.5

-6.1
9 KPPLIFEIL

4.41

-10.5

-6.09
10 KPELIFEIL

4.41

-10.41

-6.0
11 KPPLVLEIL

5.1

-11.04

-5.94
12 KPPLILEIL

4.41

-10.28

-5.87
13 MPFLVLEIL

5.87

-11.7

-5.83
14 MPELILEIL

4.43

-10.22

-5.79
15 KPELVFEIL

4.64

-10.43

-5.79
16 MPFLIFEIL

4.75

-10.41

-5.66
17 KPELILEIL

4.53

-10.1

-5.57
18 MPELVFEIL

4.67

-10.05

-5.38
19 KPFLIYEIL

5.17

-10.39

-5.22
20 MPFLVFEIL

5.1

-10.24

-5.14
21 MPFLVYEIL

6.24

-11.37

-5.13
22 KPFLVFEIL

5.4

-10.51

-5.11
23 KPFLIFEIL

5.33

-10.34

-5.01
24 MPELIYEIL

4.02

-9.03

-5.01
25 MPFLILEIL

5.42

-10.31

-4.89
26 KPELIYEIL

4.11

-8.84

-4.73
27 KPFLVYEIL

5.77

-10.12

-4.35
28 KPFLILEIL

5.62

-9.92

-4.3
29 MPFLIYEIL

4.91

-9.14

-4.23
30 KPFLVLEIL

5.38

-9.47

-4.09

 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