Predicted ligand sequences


ADAN-name: 1X8S2.PDB (view again the scoring matrix)

PDB name: [1X8S.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT H R E M A V D C P
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    

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Intraclash 2.732 ΔGbinding -18.200
TOTAL
 -15.468
Backbone Hb -7.110 Cis_bond 0.000
Sidechain Hb -6.120 Torsional clash 0.080
Van der Waals -12.480 Backbone clash 2.280
Electrostatics -1.880 Helix dipole 0.190
Solvation Polar 14.970 Water bridges -0.390
Solvation Hyd -16.810 Disulfide 0.000
VdW clashes 0.620 Electrost. Kon -1.250
Entropy sc 7.060 Part.cov.bonds 0.000
Entropy mc

4.930

 ΔGstability

4.790
       

Predicted ligand sequences for template [1X8S2.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).
 
  1X8S2.PDB  

(data)
# Predicted Sequences Value Calculate
1 EFMMAIDVM 0.0
2 DFMMAIDVM 0.02
3 EFMMAIDVF 0.08
4 DFMMAIDVF 0.1
5 EFMMAIDVY 0.1
6 DFMMAIDVY 0.12
7 EFMMAIFVM 0.12
8 EFMMAILVM 0.13
9 DFMMAIFVM 0.14
10 DFMMAILVM 0.14
11 MFMMAIDVM 0.15
12 EFMMPIDVM 0.15
13 EFAMAIDVM 0.16
14 DFMMPIDVM 0.17
15 DFAMAIDVM 0.18
16 EFLMAIDVM 0.2
17 EFMMAILVF 0.2
18 EFMMAIFVF 0.2
19 EFMMAILVY 0.22
20 EFMMAIFVY 0.22
21 DFLMAIDVM 0.22
22 DFMMAIFVF 0.22
23 DFMMAILVF 0.22
24 MFMMAIDVF 0.23
25 EFAMAIDVF 0.23
26 EFMMPIDVF 0.23
27 DFMMAIFVY 0.23
28 DFMMAILVY 0.24
29 MFMMAIDVY 0.25
30 DFMMPIDVF 0.25
31 EFAMAIDVY 0.25
32 EFMMPIDVY 0.25
33 DFAMAIDVF 0.26
34 EFMMALDVM 0.26
35 DFMMPIDVY 0.27
36 DFAMAIDVY 0.27
37 EFMMPIFVM 0.27
38 MFMMAIFVM 0.27
39 EFAMAIFVM 0.27
40 EFLMAIDVF 0.27
41 EFMMPILVM 0.28
42 DFMMALDVM 0.28
43 EFAMAILVM 0.28
44 MFMMAILVM 0.28
45 EFLMAIDVY 0.29
46 DFAMAIFVM 0.29
47 DFLMAIDVF 0.29
48 EFMMDIDVM 0.29
49 DFMMPIFVM 0.29
50 DFMMPILVM 0.29
51 MFMMPIDVM 0.3
52 DFAMAILVM 0.3
53 MFAMAIDVM 0.31
54 EFAMPIDVM 0.31
55 DFMMDIDVM 0.31
56 DFLMAIDVY 0.31
57 EFLMAIFVM 0.31
58 EFLMAILVM 0.32
59 DFLMAIFVM 0.33
60 DFAMPIDVM 0.33
61 DFLMAILVM 0.34
62 EFMMALDVF 0.34
63 EFLMPIDVM 0.34
64 MFMMAIFVF 0.35
65 MFLMAIDVM 0.35
66 EFMMPILVF 0.35
67 EFMMPIFVF 0.35
68 EFAMAIFVF 0.35
69 DFLMPIDVM 0.36
70 EFMMALDVY 0.36
71 EFMMPIFVY 0.36
72 DFMMALDVF 0.36
73 MFMMAILVF 0.36
74 EFAMAILVF 0.36
75 DFAMAIFVF 0.37
76 MFMMAIFVY 0.37
77 EFMMDIDVF 0.37
78 DFMMPIFVF 0.37
79 DFMMPILVF 0.37
80 EFAMAIFVY 0.37
81 EFMMPILVY 0.37
82 MFMMAILVY 0.37
83 EFMMALFVM 0.38
84 MFMMPIDVF 0.38
85 DFMMALDVY 0.38
86 DFAMAILVF 0.38
87 EFAMAILVY 0.38
88 MFAMAIDVF 0.39
89 EFAMPIDVF 0.39
90 DFAMAIFVY 0.39
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 DFMMPIDVF

1.93

-20.15

-18.22
2 EFMMAIDVM

2.79

-20.8

-18.01
3 DFMMPIDVM

3.22

-21.0

-17.78
4 EFMMPIDVM

3.61

-21.18

-17.57
5 MFMMAIDVM

2.39

-19.91

-17.52
6 EFMMPIDVF

3.06

-20.48

-17.42
7 DFLMAIDVM

2.91

-20.29

-17.38
8 EFLMAIDVM

3.33

-20.65

-17.32
9 EFMMAIDVF

2.42

-19.6

-17.18
10 DFMMAIDVM

2.97

-20.07

-17.1
11 EFMMAIFVY

2.42

-19.52

-17.1
12 EFMMAIDVY

3.68

-20.71

-17.03
13 EFMMAILVM

2.81

-19.74

-16.93
14 EFMMAILVY

2.52

-19.24

-16.72
15 DFMMAILVY

2.75

-19.45

-16.7
16 DFMMAIDVF

2.99

-19.68

-16.69
17 MFMMAIDVY

2.85

-19.54

-16.69
18 DFMMAIFVF

3.05

-19.72

-16.67
19 DFMMAILVF

2.86

-19.51

-16.65
20 DFMMAIFVY

2.69

-19.27

-16.58
21 EFAMAIDVM

2.64

-19.13

-16.49
22 EFMMAIFVF

3.08

-19.55

-16.47
23 DFMMAILVM

2.96

-19.42

-16.46
24 DFMMAIDVY

3.43

-19.8

-16.37
25 MFMMAIDVF

2.8

-19.05

-16.25
26 EFAMAIDVF

3.12

-19.33

-16.21
27 DFMMAIFVM

2.8

-18.98

-16.18
28 EFMMAIFVM

3.21

-19.39

-16.18
29 DFAMAIDVM

3.1

-18.86

-15.76
30 EFMMAILVF

3.23

-18.87

-15.64

 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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