Predicted ligand sequences (modelled structure)


ADAN-name: SDC25_1OV32-23.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7
poly-Ala
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 1.684 ΔGbinding -0.531
TOTAL
 1.153
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.230
Van der Waals -1.904 Backbone clash -0.000
Electrostatics 0.049 Helix dipole 0.000
Solvation Polar 1.932 Water bridges -0.058
Solvation Hyd -2.927 Disulfide 0.000
VdW clashes 1.339 Electrost. Kon 0.072
Entropy sc 0.495 Part.cov.bonds 0.000
Entropy mc

1.517

 ΔGstability

76.654
       

Predicted ligand sequences for model [SDC25_1OV32-23.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_1OV32-23.PDB  

(data)
# Predicted Sequences Value Calculate
1 EPMIFYM 0.0
2 EPMIPYM 0.0
3 EPIIPYM 0.07
4 EPIIFYM 0.07
5 EPLIPYM 0.09
6 EPLIFYM 0.1
7 EPMMPYM 0.1
8 EDMIPYM 0.1
9 EPMMFYM 0.11
10 EDMIFYM 0.11
11 EPMIFFM 0.12
12 EPMIPFM 0.12
13 EPMIEYM 0.12
14 EDIIFYM 0.17
15 EDIIPYM 0.17
16 EPIMFYM 0.17
17 EPIMPYM 0.17
18 EPIIEYM 0.18
19 EPIIPFM 0.18
20 EPIIFFM 0.18
21 EDLIFYM 0.2
22 EPLMPYM 0.2
23 EPLMFYM 0.2
24 EDLIPYM 0.2
25 EPLIEYM 0.21
26 EPLIPFM 0.21
27 EPLIFFM 0.21
28 EDMMPYM 0.21
29 EDMMFYM 0.21
30 EPMIFMM 0.22
31 EPMMEYM 0.22
32 EPMMPFM 0.22
33 EDMIPFM 0.22
34 EPMMFFM 0.22
35 EDMIFFM 0.22
36 EDMIEYM 0.22
37 EPMIPMM 0.22
38 EPMIEFM 0.23
39 EDIMPYM 0.27
40 EPIIFMM 0.28
41 EDIMFYM 0.28
42 EPIIPMM 0.28
43 EPIMFFM 0.29
44 EDIIEYM 0.29
45 EDIIFFM 0.29
46 EDIIPFM 0.29
47 EPIMEYM 0.29
48 EPIMPFM 0.29
49 EPIIEFM 0.3
50 EDLMFYM 0.3
51 EDLMPYM 0.3
52 EPLIPMM 0.31
53 EPLIFMM 0.31
54 EDLIPFM 0.31
55 EDMIFMM 0.32
56 EDLIFFM 0.32
57 EDMIPMM 0.32
58 EEMIPYM 0.32
59 EPMMPMM 0.32
60 EPLMFFM 0.32
61 EPLMEYM 0.32
62 EPLMPFM 0.32
63 EEMIFYM 0.32
64 EPMMFMM 0.32
65 EDLIEYM 0.32
66 EDMMEYM 0.33
67 EPMIEMM 0.33
68 EDMMFFM 0.33
69 EDMMPFM 0.33
70 EPLIEFM 0.33
71 EPMMEFM 0.34
72 EDMIEFM 0.34
73 EEIIFYM 0.38
74 EEIIPYM 0.38
75 EPIMFMM 0.39
76 EDIMPFM 0.39
77 EPMVPYM 0.39
78 EPIMPMM 0.39
79 EDIMFFM 0.39
80 EDIIFMM 0.39
81 EDIIPMM 0.39
82 EPMVFYM 0.39
83 EDIMEYM 0.39
84 EPIIEMM 0.4
85 EDIIEFM 0.4
86 EDLIPMM 0.41
87 EELIFYM 0.41
88 EPLMPMM 0.41
89 EELIPYM 0.41
90 EPIMEFM 0.41
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 EPMIEYM

3.53

-6.78

-3.25
2 EPLIEYM

3.65

-6.84

-3.19
3 EPLMPYM

3.85

-7.03

-3.18
4 EDLIFYM

3.69

-6.82

-3.13
5 EPLIPFM

4.24

-7.22

-2.98
6 EDMIFYM

4.21

-7.15

-2.94
7 EPLIFFM

4.14

-7.0

-2.86
8 EPMIFFM

3.96

-6.64

-2.68
9 EPLMFYM

3.65

-6.31

-2.66
10 EPMMFYM

3.6

-6.26

-2.66
11 EPMIFYM

3.95

-6.44

-2.49
12 EDMMFYM

3.59

-6.02

-2.43
13 EPIMPYM

3.97

-6.39

-2.42
14 EDLIPYM

4.37

-6.78

-2.41
15 EDMIPYM

4.33

-6.65

-2.32
16 EPMIPFM

4.36

-6.66

-2.3
17 EPMIFMM

4.29

-6.58

-2.29
18 EPIIFFM

4.22

-6.48

-2.26
19 EDIIFYM

4.47

-6.64

-2.17
20 EDMMPYM

3.54

-5.71

-2.17
21 EPLIFYM

3.82

-5.83

-2.01
22 EPIIFYM

4.34

-6.12

-1.78
23 EPIIPYM

4.72

-6.42

-1.7
24 EPIIEYM

4.64

-6.13

-1.49
25 EPIMFYM

4.81

-6.27

-1.46
26 EPMMPYM

4.72

-5.92

-1.2
27 EPIIPFM

4.61

-5.8

-1.19
28 EPLIPYM

5.2

-6.37

-1.17
29 EPMIPYM

5.38

-6.19

-0.81
30 EDIIPYM

5.16

-5.82

-0.66

 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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