Predicted ligand sequences (modelled structure)


ADAN-name: CDC25_KJW-FYN-19.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
G
 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 5.468 ΔGbinding -0.115
TOTAL
 5.353
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.387
Van der Waals -5.018 Backbone clash 0.003
Electrostatics 0.065 Helix dipole 0.002
Solvation Polar 4.186 Water bridges 0.000
Solvation Hyd -7.853 Disulfide 0.000
VdW clashes 1.999 Electrost. Kon 0.084
Entropy sc 0.417 Part.cov.bonds 0.000
Entropy mc

5.617

 ΔGstability

96.510
       

Predicted ligand sequences for model [CDC25_KJW-FYN-19.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-19.PDB  

(data)
# Predicted Sequences Value Calculate
1 MDFEMGWIY 0.0
2 MDFEMGWKY 0.1
3 MDFEMGWIF 0.1
4 MDFEDGWIY 0.11
5 MDIEMGWIY 0.11
6 MDTEMGWIY 0.16
7 MDFEMGWCY 0.17
8 MKFEMGWIY 0.2
9 MDFEDGWIF 0.21
10 MPFEMGWIY 0.21
11 MDFEDGWKY 0.21
12 MDFEMGWKF 0.21
13 MDIEMGWKY 0.22
14 MDIEMGWIF 0.22
15 MDIEDGWIY 0.22
16 MDFIMGWIY 0.25
17 MDTEMGWKY 0.26
18 MDFEMGHIY 0.26
19 MDTEMGWIF 0.26
20 MDTEDGWIY 0.27
21 MDFEDGWCY 0.27
22 MDFEMGWCF 0.27
23 MDIEMGWCY 0.28
24 MKFEMGWIF 0.3
25 MKFEDGWIY 0.3
26 MKFEMGWKY 0.3
27 MKIEMGWIY 0.31
28 MDFEDGWKF 0.31
29 MDIEMGWKF 0.32
30 MDIEDGWKY 0.32
31 MPFEDGWIY 0.32
32 MPFEMGWIF 0.32
33 MPFEMGWKY 0.32
34 MDIEDGWIF 0.32
35 MDTEMGWCY 0.33
36 MPIEMGWIY 0.33
37 MDFEMGMIY 0.36
38 MDIIMGWIY 0.36
39 MDFEMGHKY 0.36
40 MDFIMGWKY 0.36
41 MDFIDGWIY 0.36
42 MDFEDGHIY 0.36
43 MKFEMGWCY 0.36
44 MDFIMGWIF 0.36
45 MDFEMGHIF 0.36
46 MKTEMGWIY 0.36
47 MDIEMGHIY 0.37
48 MPTEMGWIY 0.37
49 MDTEDGWIF 0.37
50 MDTEMGWKF 0.37
51 MDTEDGWKY 0.37
52 MDIEMGWCF 0.38
53 MDFMMGWIY 0.38
54 MDFEDGWCF 0.38
55 MPFEMGWCY 0.38
56 MDIEDGWCY 0.39
57 MKFEMGWKF 0.4
58 MKFEDGWKY 0.41
59 MKIEMGWKY 0.41
60 MKIEMGWIF 0.41
61 MDTIMGWIY 0.41
62 MKFEDGWIF 0.41
63 MKIEDGWIY 0.41
64 MDTEMGHIY 0.42
65 MPFEDGWKY 0.42
66 MPFEDGWIF 0.42
67 MDFIMGWCY 0.42
68 MPFEMGWKF 0.42
69 MPIEMGWKY 0.43
70 MDTEDGWCY 0.43
71 MDIEDGWKF 0.43
72 MPIEDGWIY 0.43
73 MPIEMGWIF 0.43
74 MDTEMGWCF 0.43
75 MDFEMGHCY 0.43
76 MKFIMGWIY 0.45
77 MDFIMGWKF 0.46
78 MKFEMGHIY 0.46
79 MKTEMGWIF 0.46
80 MDFIDGWIF 0.46
81 MKTEMGWKY 0.46
82 MDFIDGWKY 0.46
83 MKTEDGWIY 0.46
84 MDIIDGWIY 0.47
85 MDIIMGWIF 0.47
86 MDFEMGMIF 0.47
87 MDFEMGHKF 0.47
88 MDIEMGHIF 0.47
89 MDFEDGMIY 0.47
90 MDFEDGHIF 0.47
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MDFEMGWKF

4.84

-7.1

-2.26
2 MPFEMGWIY

5.53

-7.53

-2.0
3 MDFEMGWCY

4.96

-6.28

-1.32
4 MDIEMGWKF

4.46

-5.7

-1.24
5 MDFIMGWIY

5.99

-7.07

-1.08
6 MDFEMGWKY

5.04

-6.12

-1.08
7 MDFEMGWCF

4.9

-5.96

-1.06
8 MDFEMGWIY

5.48

-6.44

-0.96
9 MDFEMGWIF

5.75

-6.64

-0.89
10 MDIEMGWCY

4.9

-5.73

-0.83
11 MDFEDGWCY

4.9

-5.68

-0.78
12 MDFEDGWKF

4.85

-5.62

-0.77
13 MDFEDGWKY

4.73

-5.48

-0.75
14 MDIEDGWKY

4.72

-5.44

-0.72
15 MDTEMGWIY

5.11

-5.81

-0.7
16 MKFEMGWKY

4.85

-5.35

-0.5
17 MDIEMGWIF

5.59

-6.02

-0.43
18 MDFEMGHIY

4.97

-5.34

-0.37
19 MDFEDGWIF

5.51

-5.86

-0.35
20 MDTEMGWKY

5.35

-5.7

-0.35
21 MDIEMGWIY

5.56

-5.87

-0.31
22 MDIEMGWKY

4.81

-5.11

-0.3
23 MDTEDGWIY

4.92

-5.14

-0.22
24 MDFEDGWIY

5.83

-6.01

-0.18
25 MKFEMGWIY

5.57

-5.7

-0.13
26 MDIEDGWIY

5.04

-5.03

0.01
27 MKFEDGWIY

4.95

-4.92

0.03
28 MKIEMGWIY

5.59

-5.45

0.14
29 MKFEMGWIF

5.96

-5.29

0.67
30 MDTEMGWIF

7.24

-4.77

2.47

 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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