Predicted ligand sequences (modelled structure)


ADAN-name: SDC25_1OV32-19.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    

(Help)

Intraclash 4.783 ΔGbinding 4.815
TOTAL
 9.598
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.143
Van der Waals -5.376 Backbone clash 0.003
Electrostatics -0.339 Helix dipole 0.000
Solvation Polar 6.378 Water bridges -0.003
Solvation Hyd -7.609 Disulfide 0.000
VdW clashes 5.839 Electrost. Kon -0.226
Entropy sc 0.698 Part.cov.bonds 0.000
Entropy mc

5.310

 ΔGstability

85.683
       

Predicted ligand sequences for model [SDC25_1OV32-19.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).
 
  SDC25_1OV32-19.PDB  

(data)
# Predicted Sequences Value Calculate
1 IRWMRGFDF 0.0
2 IRFMRGFDF 0.01
3 IRYMRGFDF 0.06
4 IMWMRGFDF 0.09
5 IMFMRGFDF 0.1
6 IRIMRGFDF 0.13
7 IMYMRGFDF 0.15
8 IKWMRGFDF 0.19
9 IKFMRGFDF 0.2
10 IRWPRGFDF 0.2
11 IRFPRGFDF 0.21
12 IMIMRGFDF 0.22
13 IKYMRGFDF 0.25
14 IRYPRGFDF 0.26
15 IRWMEGFDF 0.28
16 IMWPRGFDF 0.29
17 IRFMEGFDF 0.29
18 IMFPRGFDF 0.3
19 IPWMRGFDF 0.31
20 IPFMRGFDF 0.32
21 IKIMRGFDF 0.32
22 IRIPRGFDF 0.33
23 IRYMEGFDF 0.34
24 IMYPRGFDF 0.35
25 IMWMEGFDF 0.37
26 IPYMRGFDF 0.37
27 IMFMEGFDF 0.38
28 IKWPRGFDF 0.39
29 IKFPRGFDF 0.4
30 IRIMEGFDF 0.41
31 IMIPRGFDF 0.42
32 IMYMEGFDF 0.43
33 IRWWRGFDF 0.44
34 IKYPRGFDF 0.45
35 IPIMRGFDF 0.45
36 IRFWRGFDF 0.45
37 IKWMEGFDF 0.47
38 IKFMEGFDF 0.48
39 IRWPEGFDF 0.48
40 IRFPEGFDF 0.49
41 IRYWRGFDF 0.5
42 IRWDRGFDF 0.5
43 IRFDRGFDF 0.5
44 IMIMEGFDF 0.51
45 IPWPRGFDF 0.51
46 IKIPRGFDF 0.52
47 IPFPRGFDF 0.52
48 IKYMEGFDF 0.53
49 IMWWRGFDF 0.53
50 IMFWRGFDF 0.54
51 IRYPEGFDF 0.54
52 IRYDRGFDF 0.55
53 IPYPRGFDF 0.57
54 IMWPEGFDF 0.57
55 IRIWRGFDF 0.57
56 IMFPEGFDF 0.58
57 IMWDRGFDF 0.59
58 IMFDRGFDF 0.59
59 IMYWRGFDF 0.59
60 IPWMEGFDF 0.59
61 IPFMEGFDF 0.6
62 IKIMEGFDF 0.6
63 IRIPEGFDF 0.61
64 IRIDRGFDF 0.63
65 IKWWRGFDF 0.63
66 IMYPEGFDF 0.63
67 IKFWRGFDF 0.64
68 IMYDRGFDF 0.65
69 IPIPRGFDF 0.65
70 IPYMEGFDF 0.65
71 IKWPEGFDF 0.67
72 IMIWRGFDF 0.67
73 IKFPEGFDF 0.68
74 IKWDRGFDF 0.69
75 IKYWRGFDF 0.69
76 IKFDRGFDF 0.7
77 IMIPEGFDF 0.71
78 IMIDRGFDF 0.72
79 IRWWEGFDF 0.72
80 IRFWEGFDF 0.73
81 IPIMEGFDF 0.73
82 IKYPEGFDF 0.73
83 IKYDRGFDF 0.74
84 IPWWRGFDF 0.76
85 IPFWRGFDF 0.76
86 IKIWRGFDF 0.77
87 IRYWEGFDF 0.78
88 IRWDEGFDF 0.78
89 IRFDEGFDF 0.79
90 IPFPEGFDF 0.8
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 IPFMRGFDF

5.13

-4.5

0.63
2 IMYMRGFDF

4.27

-3.63

0.64
3 IMWPRGFDF

5.11

-4.2

0.91
4 IRYPRGFDF

5.5

-4.35

1.15
5 IMIMRGFDF

5.72

-4.15

1.57
6 IMFPRGFDF

3.79

-1.58

2.21
7 IMFMRGFDF

5.73

-3.44

2.29
8 IRWMRGFDF

5.83

-3.49

2.34
9 IMYPRGFDF

4.88

-2.19

2.69
10 IKFPRGFDF

5.09

-2.39

2.7
11 IPWMRGFDF

5.27

-2.18

3.09
12 IRYMEGFDF

5.92

-2.76

3.16
13 IPYMRGFDF

5.56

-2.35

3.21
14 IRWPRGFDF

5.12

-1.83

3.29
15 IMWMEGFDF

4.94

-1.51

3.43
16 IRFPRGFDF

4.55

-1.04

3.51
17 IKWPRGFDF

5.22

-1.63

3.59
18 IKFMRGFDF

4.2

-0.23

3.97
19 IRIPRGFDF

5.26

-1.13

4.13
20 IKYMRGFDF

4.6

-0.44

4.16
21 IRWMEGFDF

5.37

-1.05

4.32
22 IRIMRGFDF

5.12

-0.78

4.34
23 IRIMEGFDF

5.34

-0.95

4.39
24 IKWMRGFDF

5.32

0.11

5.43
25 IMWMRGFDF

4.47

0.97

5.44
26 IKIMRGFDF

5.8

-0.2

5.6
27 IRFMRGFDF

4.72

0.91

5.63
28 IMFMEGFDF

6.99

-1.21

5.78
29 IRFMEGFDF

5.82

-0.02

5.8
30 IRYMRGFDF

5.65

0.54

6.19

 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