Predicted ligand sequences (modelled structure)


ADAN-name: SDC25_1JO8-5.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    

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Intraclash 6.314 ΔGbinding 3.884
TOTAL
 10.198
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 1.487
Van der Waals -5.747 Backbone clash 0.212
Electrostatics -0.037 Helix dipole 0.000
Solvation Polar 5.969 Water bridges 0.000
Solvation Hyd -8.437 Disulfide 0.000
VdW clashes 7.299 Electrost. Kon -0.007
Entropy sc 0.703 Part.cov.bonds 0.000
Entropy mc

3.929

 ΔGstability

105.087
       

Predicted ligand sequences for model [SDC25_1JO8-5.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).
 
  SDC25_1JO8-5.PDB  

(data)
# Predicted Sequences Value Calculate
1 IEDEDFWDHF 0.0
2 IEDEDFPDHF 0.01
3 IEDEDFWEHF 0.04
4 IEDEDFPEHF 0.05
5 IEDEPFWDHF 0.05
6 IEDEDFWPHF 0.05
7 IEDEPFPDHF 0.06
8 IEDEDFPPHF 0.07
9 IEDEPFWEHF 0.09
10 IEDEPFWPHF 0.1
11 IEDEPFPEHF 0.1
12 IEDEPFPPHF 0.12
13 IEEEDFWDHF 0.14
14 IDDEDFWDHF 0.15
15 IEEEDFPDHF 0.16
16 IDDEDFPDHF 0.17
17 IEEEDFWEHF 0.18
18 IEEEDFPEHF 0.19
19 IDDEDFWEHF 0.19
20 IEEEDFWPHF 0.2
21 IENEDFWDHF 0.2
22 IDDEDFPEHF 0.2
23 IDDEPFWDHF 0.2
24 IEEEPFWDHF 0.2
25 IEEEDFPPHF 0.21
26 IEEEPFPDHF 0.21
27 IDDEDFWPHF 0.21
28 IENEDFPDHF 0.21
29 IDDEPFPDHF 0.22
30 IDDEDFPPHF 0.22
31 IEEEPFWEHF 0.23
32 IEEEPFPEHF 0.24
33 IDDEPFWEHF 0.24
34 IENEDFWEHF 0.24
35 IENEPFWDHF 0.25
36 IEDEDFFDHF 0.25
37 IENEDFWPHF 0.25
38 IEEEPFWPHF 0.25
39 IENEDFPEHF 0.25
40 IDDEPFPEHF 0.25
41 IEEEPFPPHF 0.26
42 IDDEPFWPHF 0.26
43 IENEPFPDHF 0.26
44 IEDEDFWDHW 0.26
45 IENEDFPPHF 0.27
46 IEDEDFPDHW 0.27
47 IDDEPFPPHF 0.27
48 IEDEDFFEHF 0.29
49 IENEPFWEHF 0.29
50 IDEEDFWDHF 0.3
51 IENEPFWPHF 0.3
52 IEDEDFWEHW 0.3
53 IENEPFPEHF 0.3
54 IEDEPFFDHF 0.3
55 IEDEDFFPHF 0.3
56 IEDEDFPEHW 0.31
57 IDEEDFPDHF 0.31
58 IEDEPFWDHW 0.31
59 IEDEDFWPHW 0.31
60 IEDEPFPDHW 0.32
61 IENEPFPPHF 0.32
62 IEDEDFPPHW 0.33
63 IDEEDFWEHF 0.33
64 IDEEDFPEHF 0.34
65 IEDEPFFEHF 0.34
66 IEDELFWDHF 0.34
67 IDEEDFWPHF 0.35
68 IEDEPFWEHW 0.35
69 IDNEDFWDHF 0.35
70 IDEEPFWDHF 0.35
71 IEDEPFFPHF 0.36
72 IEDELFPDHF 0.36
73 IDNEDFPDHF 0.36
74 IDEEDFPPHF 0.36
75 IDEEPFPDHF 0.36
76 IEDEPFWPHW 0.36
77 IEDEPFPEHW 0.36
78 IEDELFWEHF 0.38
79 IEDEPFPPHW 0.38
80 IDEEPFWEHF 0.38
81 IEDELFPEHF 0.39
82 IDNEDFWEHF 0.39
83 IDEEPFWPHF 0.4
84 IEDELFWPHF 0.4
85 IEEEDFFDHF 0.4
86 IDDEDFFDHF 0.4
87 IDNEPFWDHF 0.4
88 IDEEPFPEHF 0.4
89 IDNEDFPEHF 0.4
90 IEEEDFWDHW 0.41
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 IDDEPFPDHF

5.83

-4.33

1.5
2 IEDEPFWEHF

6.69

-3.89

2.8
3 IEEEPFPDHF

6.51

-3.59

2.92
4 IDDEDFPPHF

6.43

-3.2

3.23
5 IDDEDFWDHF

6.12

-2.87

3.25
6 IEDEPFPEHF

6.13

-2.82

3.31
7 IEDEDFWPHF

6.57

-3.26

3.31
8 IENEDFWDHF

7.26

-3.91

3.35
9 IDDEDFWEHF

7.75

-4.33

3.42
10 IEDEPFWDHF

7.65

-4.12

3.53
11 IEEEDFWEHF

6.48

-2.92

3.56
12 IEDEDFPEHF

7.41

-3.73

3.68
13 IEDEDFPPHF

7.31

-3.59

3.72
14 IEDEPFPDHF

6.72

-2.97

3.75
15 IDDEPFWDHF

7.61

-3.8

3.81
16 IEDEDFWDHF

7.29

-3.43

3.86
17 IEEEDFPDHF

7.35

-3.13

4.22
18 IEEEDFPPHF

6.25

-1.99

4.26
19 IEDEPFPPHF

7.03

-2.72

4.31
20 IEEEDFWDHF

7.01

-2.61

4.4
21 IEDEDFWEHF

7.53

-3.12

4.41
22 IEEEDFPEHF

7.13

-2.63

4.5
23 IDDEDFPDHF

6.75

-2.04

4.71
24 IEEEPFWDHF

7.25

-2.32

4.93
25 IEEEDFWPHF

7.26

-2.25

5.01
26 IENEDFPDHF

7.47

-2.06

5.41
27 IDDEDFWPHF

7.69

-2.25

5.44
28 IDDEDFPEHF

7.31

-1.77

5.54
29 IEDEPFWPHF

6.85

-1.3

5.55
30 IEDEDFPDHF

8.4

-1.38

7.02

 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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