Predicted ligand sequences


ADAN-name: 1G3J2.PDB (view again the scoring matrix)

PDB name: [1G3J.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT D L A D V K S S L V N E S
position 1 2 3 4 5 6 7 8 9 10 11 12 13
poly-Ala A
A
A
A
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 1.926 ΔGbinding -17.061
TOTAL
 -15.135
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -3.550 Torsional clash 0.377
Van der Waals -9.404 Backbone clash 0.185
Electrostatics -0.495 Helix dipole -0.025
Solvation Polar 7.418 Water bridges -0.265
Solvation Hyd -16.488 Disulfide 0.000
VdW clashes 0.172 Electrost. Kon -0.524
Entropy sc 4.437 Part.cov.bonds 0.000
Entropy mc

1.284

 ΔGstability

-138.225
       

Predicted ligand sequences for template [1G3J2.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).
 
  1G3J2.PDB  

(data)
# Predicted Sequences Value Calculate
1 pLyDDMEDLDDWF 0.0
2 pMyDDMEDLDDWF 0.01
3 PMyDDMEDLDDWF 0.09
4 pLyDDMWDLDDWF 0.09
5 pLyDDMEDLDpWF 0.09
6 PLyDDMEDLDDWF 0.09
7 pMyDDMEDLDpWF 0.1
8 pMyDDMWDLDDWF 0.1
9 pLyDDMEDLDsWF 0.12
10 pMyDDMEDLDsWF 0.13
11 pMyDDMsDLDDWF 0.16
12 pLyDDMsDLDDWF 0.16
13 PLyDDMWDLDDWF 0.18
14 PLyDDMEDLDpWF 0.18
15 PMyDDMEDLDpWF 0.19
16 pMyDDMWDLDpWF 0.19
17 pLyDDMWDLDpWF 0.19
18 PMyDDMWDLDDWF 0.19
19 PLyDDMEDLDsWF 0.21
20 pLyDDMWDLDsWF 0.21
21 PMyDDMEDLDsWF 0.21
22 pMyDDMWDLDsWF 0.22
23 PLyDDMsDLDDWF 0.24
24 PMyDDMsDLDDWF 0.25
25 pLyDDMsDLDpWF 0.25
26 pMyDDMsDLDpWF 0.26
27 PLyDDMWDLDpWF 0.27
28 PMyDDMWDLDpWF 0.28
29 pMyDDMsDLDsWF 0.28
30 pLyDDMsDLDsWF 0.28
31 pLyDDWEDLDDWF 0.29
32 pMyDDWEDLDDWF 0.3
33 PLyDDMWDLDsWF 0.3
34 PMyDDMWDLDsWF 0.31
35 PLyDDMsDLDpWF 0.33
36 pLyDDMEDLDDWW 0.34
37 PMyDDMsDLDpWF 0.34
38 pMyDDMEDLDDWW 0.35
39 pLyDDMEDLDDWY 0.36
40 PLyDDMsDLDsWF 0.36
41 pMyDDMEDLDDWY 0.37
42 PMyDDMsDLDsWF 0.37
43 pLyDDMEDLVDWF 0.38
44 pMyDDMEDLVDWF 0.38
45 PLyDDWEDLDDWF 0.38
46 pLyDDWEDLDpWF 0.39
47 PMyDDWEDLDDWF 0.39
48 pLyDDWWDLDDWF 0.39
49 pMyDDWWDLDDWF 0.4
50 pMyDDWEDLDpWF 0.4
51 pMyDDWEDLDsWF 0.42
52 pLyDDWEDLDsWF 0.42
53 PMyDDMEDLDDWW 0.43
54 pLyDDMEDLDpWW 0.43
55 pLyDDMWDLDDWW 0.43
56 PLyDDMEDLDDWW 0.43
57 pMyDDMEDLDpWW 0.44
58 pMyDDMWDLDDWW 0.44
59 pLyDDEEDLDDWF 0.44
60 pMyDDEEDLDDWF 0.44
61 DLyDDMEDLDDWF 0.44
62 DMyDDMEDLDDWF 0.45
63 PLyDDMEDLDDWY 0.45
64 pLyDDWsDLDDWF 0.45
65 PMyDDMEDLDDWY 0.46
66 pLyDDMEDLDsWW 0.46
67 pLyDDMEDLDpWY 0.46
68 pMyDDMEDLDpWY 0.46
69 pMyDDMWDLDDWY 0.46
70 pLyDDMWDLDDWY 0.46
71 pMyDDWsDLDDWF 0.46
72 PLyDDMEDLVDWF 0.46
73 PLyDDWWDLDDWF 0.47
74 pLyDDMEDLVpWF 0.47
75 pLyDDMWDLVDWF 0.47
76 PLyDDWEDLDpWF 0.47
77 PMyDDMEDLVDWF 0.47
78 pMyDDMEDLDsWW 0.47
79 pMyDDMEDLVpWF 0.48
80 PMyDDWWDLDDWF 0.48
81 pMyDDMWDLVDWF 0.48
82 pLyDDWWDLDpWF 0.48
83 PMyDDWEDLDpWF 0.48
84 pLyDDMEDLDsWY 0.49
85 pLyDDMEDLIDWF 0.49
86 pMyDDWWDLDpWF 0.49
87 pMyDDMEDLDsWY 0.49
88 pMyDDMEDLIDWF 0.5
89 pMyDDMsDLDDWW 0.5
90 pLyDDMsDLDDWW 0.5
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 PMyDDMsDLDDWF

2.24

-23.24

-21.0
2 PMyDDMEDLDsWF

2.09

-22.78

-20.69
3 PLyDDMsDLDDWF

3.21

-23.55

-20.34
4 PLyDDMEDLDpWF

3.04

-22.41

-19.37
5 PMyDDMWDLDDWF

2.12

-21.37

-19.25
6 pMyDDMsDLDsWF

2.29

-21.53

-19.24
7 PMyDDMEDLDDWF

2.84

-21.91

-19.07
8 pMyDDMsDLDDWF

2.43

-20.94

-18.51
9 pLyDDMsDLDpWF

2.61

-20.51

-17.9
10 pLyDDMEDLDpWF

3.45

-19.77

-16.32
11 pLyDDMEDLDDWF

2.91

-19.11

-16.2
12 PLyDDMEDLDsWF

2.74

-18.82

-16.08
13 pLyDDMWDLDDWF

2.97

-16.97

-14.0
14 pMyDDMWDLDsWF

4.2

-14.78

-10.58
15 pMyDDMWDLDpWF

10.57

-17.53

-6.96
16 PLyDDMEDLDDWF

3.89

-5.63

-1.74
17 pMyDDMsDLDpWF

6.76

-7.98

-1.22
18 pMyDDMEDLDDWF

16.07

-16.7

-0.63
19 pMyDDMEDLDsWF

14.94

-15.4

-0.46
20 PMyDDMEDLDpWF

2.59

-2.43

0.16
21 pMyDDMEDLDpWF

6.92

-6.25

0.67
22 PLyDDMWDLDpWF

3.44

-1.79

1.65
23 PMyDDMWDLDpWF

17.14

-15.15

1.99
24 pLyDDMWDLDpWF

17.99

-15.34

2.65
25 PLyDDMWDLDDWF

14.75

-11.62

3.13
26 pMyDDMWDLDDWF

15.66

-11.8

3.86
27 pLyDDMEDLDsWF

17.76

-13.78

3.98
28 pLyDDMsDLDDWF

7.04

-1.29

5.75
29 pLyDDMWDLDsWF

17.73

-11.29

6.44
30 pLyDDMsDLDsWF

7.41

-0.18

7.23

 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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