Predicted ligand sequences


ADAN-name: 1YGU2.PDB (view again the scoring matrix)

PDB name: [1YGU.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT P T y S
position 1 2 3 4
poly-Ala 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 15.975 ΔGbinding -10.813
TOTAL
 5.162
Backbone Hb -8.337 Cis_bond 0.000
Sidechain Hb -8.175 Torsional clash 0.238
Van der Waals -7.787 Backbone clash 1.724
Electrostatics -2.951 Helix dipole -0.205
Solvation Polar 17.410 Water bridges -0.162
Solvation Hyd -8.017 Disulfide 0.000
VdW clashes 2.963 Electrost. Kon -1.003
Entropy sc 0.929 Part.cov.bonds 0.000
Entropy mc

4.284

 ΔGstability

255.816
       

Predicted ligand sequences for template [1YGU2.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).
 
  1YGU2.PDB  

(data)
# Predicted Sequences Value Calculate
1 DRGQ 0.0
2 DRGR 0.09
3 DKGQ 0.29
4 ERGQ 0.35
5 DRGG 0.37
6 DKGR 0.38
7 ERGR 0.44
8 DRGD 0.45
9 DRGy 0.48
10 DSGQ 0.57
11 EKGQ 0.65
12 DSGR 0.66
13 DKGG 0.66
14 DHGQ 0.7
15 ERGG 0.72
16 EKGR 0.74
17 PRGQ 0.75
18 DKGD 0.75
19 DNGQ 0.76
20 DKGy 0.78
21 DHGR 0.79
22 ERGD 0.81
23 LRGQ 0.83
24 ERGy 0.84
25 PRGR 0.84
26 DNGR 0.85
27 ESGQ 0.92
28 LRGR 0.92
29 DSGG 0.93
30 ESGR 1.01
31 EKGG 1.01
32 DSGD 1.02
33 PKGQ 1.04
34 EHGQ 1.05
35 DSGy 1.05
36 DHGG 1.07
37 EKGD 1.1
38 PRGG 1.11
39 ENGQ 1.11
40 DNGG 1.12
41 LKGQ 1.13
42 EKGy 1.13
43 PKGR 1.13
44 DHGD 1.15
45 EHGR 1.15
46 DHGy 1.19
47 PRGD 1.2
48 ENGR 1.2
49 LRGG 1.2
50 DNGD 1.21
51 LKGR 1.22
52 PRGy 1.23
53 DNGy 1.24
54 LRGD 1.28
55 ESGG 1.29
56 PSGQ 1.31
57 LRGy 1.32
58 ESGD 1.37
59 LSGQ 1.4
60 PSGR 1.41
61 ESGy 1.41
62 PKGG 1.41
63 EHGG 1.42
64 PHGQ 1.45
65 ENGG 1.48
66 LSGR 1.49
67 LKGG 1.49
68 PKGD 1.49
69 PNGQ 1.5
70 EHGD 1.51
71 PKGy 1.52
72 LHGQ 1.53
73 PHGR 1.54
74 EHGy 1.54
75 ENGD 1.56
76 LKGD 1.58
77 LNGQ 1.59
78 ENGy 1.6
79 PNGR 1.6
80 LKGy 1.61
81 LHGR 1.62
82 PSGG 1.68
83 LNGR 1.68
84 PSGD 1.77
85 LSGG 1.77
86 PSGy 1.8
87 PHGG 1.81
88 LSGD 1.85
89 PNGG 1.87
90 LSGy 1.89
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DHGR

6.2

-3.9

2.3
2 PRGQ

6.17

-3.78

2.39
3 DHGQ

6.19

-3.79

2.4
4 ERGQ

6.18

-3.75

2.43
5 DRGQ

6.18

-3.59

2.59
6 DKGQ

6.19

-3.6

2.59
7 EKGQ

6.18

-3.42

2.76
8 DSGQ

6.2

-3.35

2.85
9 LRGQ

6.18

-3.15

3.03
10 DRGG

6.18

-2.95

3.23
11 DRGy

6.27

-3.03

3.24
12 DSGG

6.2

-2.96

3.24
13 DNGQ

6.18

-2.91

3.27
14 DKGG

6.19

-2.89

3.3
15 ERGD

6.19

-2.87

3.32
16 DRGD

6.18

-2.66

3.52
17 DRGR

6.22

-2.63

3.59
18 DKGR

6.35

-2.73

3.62
19 DSGR

6.35

-2.49

3.86
20 PRGR

6.24

-2.32

3.92
21 DKGy

6.19

-2.26

3.93
22 DKGD

6.18

-2.14

4.04
23 DNGR

6.26

-2.21

4.05
24 ERGG

8.47

-3.77

4.7
25 LRGR

6.28

-1.57

4.71
26 ESGQ

8.48

-3.54

4.94
27 ERGy

8.49

-3.29

5.2
28 ESGR

8.49

-2.97

5.52
29 ERGR

8.52

-2.79

5.73
30 EKGR

8.49

-2.35

6.14

 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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