Predicted ligand sequences


ADAN-name: 1WA72.PDB (view again the scoring matrix)

PDB name: [1WA7.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT G M P T P P L P P R P A N L G E R
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17
poly-Ala
G
A
 A
A
 A
A
 A A
A
A
A
A
A
 A
G
 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 31.393 ΔGbinding 5.380
TOTAL
 36.773
Backbone Hb -0.800 Cis_bond 0.000
Sidechain Hb -2.260 Torsional clash 0.570
Van der Waals -15.270 Backbone clash 3.090
Electrostatics -1.820 Helix dipole 0.000
Solvation Polar 16.240 Water bridges -0.720
Solvation Hyd -19.800 Disulfide 0.000
VdW clashes 17.890 Electrost. Kon -0.360
Entropy sc 5.740 Part.cov.bonds 0.000
Entropy mc

5.980

 ΔGstability

95.960
       

Predicted ligand sequences for template [1WA72.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).
 
  1WA72.PDB  

(data)
# Predicted Sequences Value Calculate
1 DMENIPPMGGGGSMGGG 0.0
2 DMENIPPMGGPGSMGGG 0.0
3 DMENIPPMGGPGDMGGG 0.01
4 DMENIGPMGGPGSMGGG 0.01
5 DMENIPPMGGGGDMGGG 0.01
6 DMENIGPMGGGGSMGGG 0.01
7 DMENIGPMGGGGDMGGG 0.02
8 DMENIPPMGGPGAMGGG 0.02
9 DMENIPPMGGGGAMGGG 0.02
10 DMENIGPMGGPGDMGGG 0.02
11 DMENIGPMGGGGAMGGG 0.03
12 DMENIGPMGGPGAMGGG 0.03
13 DMEGIPPMGGGGSMGGG 0.03
14 DMEGIPPMGGPGSMGGG 0.03
15 DMEGIGPMGGGGSMGGG 0.04
16 DMEGIGPMGGPGSMGGG 0.04
17 DMEGIPPMGGGGDMGGG 0.04
18 DMEGIPPMGGPGDMGGG 0.04
19 DMEGIGPMGGPGDMGGG 0.05
20 DMEGIPPMGGPGAMGGG 0.05
21 DMEGIGPMGGGGDMGGG 0.05
22 DMEGIPPMGGGGAMGGG 0.05
23 DMEGIGPMGGPGAMGGG 0.06
24 DMEGIGPMGGGGAMGGG 0.06
25 EMENIPPMGGGGSMGGG 0.06
26 EMENIPPMGGPGSMGGG 0.06
27 EMENIPPMGGPGDMGGG 0.07
28 EMENIGPMGGGGSMGGG 0.07
29 EMENIGPMGGPGSMGGG 0.07
30 EMENIPPMGGGGDMGGG 0.07
31 EMENIGPMGGGGDMGGG 0.08
32 EMENIPPMGGPGAMGGG 0.08
33 DMENIIPMGGGGSMGGG 0.08
34 EMENIGPMGGPGDMGGG 0.08
35 DMENIIPMGGPGSMGGG 0.08
36 EMENIPPMGGGGAMGGG 0.08
37 EMEGIPPMGGPGSMGGG 0.09
38 EMENIGPMGGGGAMGGG 0.09
39 EMEGIPPMGGGGSMGGG 0.09
40 DMENIIPMGGGGDMGGG 0.09
41 EMENIGPMGGPGAMGGG 0.09
42 DMENIIPMGGPGDMGGG 0.09
43 EMEGIGPMGGGGSMGGG 0.1
44 DMENIIPMGGPGAMGGG 0.1
45 EMEGIPPMGGGGDMGGG 0.1
46 EMEGIGPMGGPGSMGGG 0.1
47 EMEGIPPMGGPGDMGGG 0.1
48 DMENIIPMGGGGAMGGG 0.1
49 DMEGIIPMGGPGSMGGG 0.11
50 EMEGIGPMGGGGDMGGG 0.11
51 EMEGIGPMGGPGDMGGG 0.11
52 DMEGIIPMGGGGSMGGG 0.11
53 EMEGIPPMGGPGAMGGG 0.11
54 EMEGIPPMGGGGAMGGG 0.11
55 DMEGIIPMGGPGDMGGG 0.12
56 DMEGIIPMGGGGDMGGG 0.12
57 EMEGIGPMGGPGAMGGG 0.12
58 EMEGIGPMGGGGAMGGG 0.12
59 DMEGIIPMGGGGAMGGG 0.13
60 PMENIPPMGGPGSMGGG 0.13
61 DMEGIIPMGGPGAMGGG 0.13
62 PMENIPPMGGGGSMGGG 0.13
63 PMENIGPMGGGGSMGGG 0.14
64 EMENIIPMGGPGSMGGG 0.14
65 PMENIGPMGGPGSMGGG 0.14
66 PMENIPPMGGGGDMGGG 0.14
67 EMENIIPMGGGGSMGGG 0.14
68 PMENIPPMGGPGDMGGG 0.14
69 PMENIPPMGGGGAMGGG 0.15
70 PMENIGPMGGGGDMGGG 0.15
71 PMENIPPMGGPGAMGGG 0.15
72 EMENIIPMGGGGDMGGG 0.15
73 PMENIGPMGGPGDMGGG 0.15
74 EMENIIPMGGPGDMGGG 0.15
75 EMENIIPMGGPGAMGGG 0.16
76 EMENIIPMGGGGAMGGG 0.16
77 PMENIGPMGGPGAMGGG 0.16
78 PMEGIPPMGGPGSMGGG 0.16
79 PMEGIPPMGGGGSMGGG 0.16
80 PMENIGPMGGGGAMGGG 0.16
81 DMENVPPMGGPGSMGGG 0.17
82 PMEGIGPMGGPGSMGGG 0.17
83 DMENVPPMGGGGSMGGG 0.17
84 PMEGIPPMGGGGDMGGG 0.17
85 PMEGIPPMGGPGDMGGG 0.17
86 PMEGIGPMGGGGSMGGG 0.17
87 EMEGIIPMGGGGSMGGG 0.17
88 EMEGIIPMGGPGSMGGG 0.17
89 PMEGIPPMGGPGAMGGG 0.18
90 PMEGIGPMGGGGDMGGG 0.18
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DMEGIGPMGGPGAMGGG

15.89

1.07

16.96
2 DMENIPPMGGPGSMGGG

17.72

-0.53

17.19
3 DMEGIPPMGGPGAMGGG

17.45

0.08

17.53
4 DMEGIGPMGGPGSMGGG

16.11

1.53

17.64
5 DMEGIPPMGGPGDMGGG

17.06

0.69

17.75
6 DMEGIPPMGGGGSMGGG

17.55

0.58

18.13
7 DMENIGPMGGPGSMGGG

17.65

0.49

18.14
8 DMEGIPPMGGGGAMGGG

16.42

1.9

18.32
9 DMEGIPPMGGGGDMGGG

18.23

0.39

18.62
10 DMEGIGPMGGGGAMGGG

16.56

2.1

18.66
11 DMENIPPMGGGGSMGGG

19.31

-0.58

18.73
12 DMEGIGPMGGPGDMGGG

17.1

1.64

18.74
13 DMENIGPMGGGGSMGGG

17.34

1.45

18.79
14 DMENIGPMGGPGAMGGG

17.55

1.55

19.1
15 DMENIPPMGGPGAMGGG

19.34

-0.17

19.17
16 EMENIPPMGGGGSMGGG

18.69

0.66

19.35
17 DMENIGPMGGGGAMGGG

19.54

0.32

19.86
18 EMENIGPMGGGGSMGGG

19.37

0.5

19.87
19 DMEGIPPMGGPGSMGGG

18.71

1.31

20.02
20 EMENIGPMGGPGSMGGG

20.0

0.21

20.21
21 DMEGIGPMGGGGSMGGG

18.66

1.68

20.34
22 DMENIPPMGGGGDMGGG

18.4

2.27

20.67
23 DMEGIGPMGGGGDMGGG

19.45

1.25

20.7
24 EMENIPPMGGPGDMGGG

20.26

0.87

21.13
25 DMENIPPMGGPGDMGGG

19.94

1.19

21.13
26 EMENIPPMGGPGSMGGG

19.58

1.6

21.18
27 DMENIGPMGGGGDMGGG

18.36

3.35

21.71
28 EMENIPPMGGGGDMGGG

21.62

1.14

22.76
29 DMENIGPMGGPGDMGGG

21.59

1.28

22.87
30 DMENIPPMGGGGAMGGG

22.54

2.32

24.86

 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