Predicted ligand sequences


ADAN-name: 1JLU2.PDB (view again the scoring matrix)

PDB name: [1JLU.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT T T Y A D F I A S G R T G R R A s I H D
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
poly-Ala
A
 A A
A
 A
A
 A
A
A
G
A
 A
G
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 13.255 ΔGbinding -24.395
TOTAL
 -11.140
Backbone Hb -5.813 Cis_bond 0.000
Sidechain Hb -9.987 Torsional clash 2.604
Van der Waals -19.617 Backbone clash 1.174
Electrostatics -10.828 Helix dipole 0.031
Solvation Polar 31.003 Water bridges -0.971
Solvation Hyd -23.164 Disulfide 0.000
VdW clashes 0.826 Electrost. Kon -3.711
Entropy sc 8.716 Part.cov.bonds 0.000
Entropy mc

6.518

 ΔGstability

11.306
       

Predicted ligand sequences for template [1JLU2.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).
 
  1JLU2.PDB  

(data)
# Predicted Sequences Value Calculate
1 DRFyMWWHGRWWGRRsQFFW 0.0
2 DRFyMWWRGRWWGRRsQFFW 0.02
3 DRFyMWWWGRWWGRRsQFFW 0.03
4 sRFyMWWHGRWWGRRsQFFW 0.04
5 sRFyMWWRGRWWGRRsQFFW 0.05
6 DRFDMWWHGRWWGRRsQFFW 0.05
7 sRFyMWWWGRWWGRRsQFFW 0.06
8 DRFyMWWHGRWWGRRsQFWW 0.06
9 DRFpMWWHGRWWGRRsQFFW 0.06
10 DWFyMWWHGRWWGRRsQFFW 0.07
11 DRFDMWWRGRWWGRRsQFFW 0.07
12 DRFyMWWWGRWWGRRsQFWW 0.08
13 DRFDMWWWGRWWGRRsQFFW 0.08
14 DRFyMWWRGRWWGRRsQFWW 0.08
15 DRFpMWWRGRWWGRRsQFFW 0.08
16 DWFyMWWRGRWWGRRsQFFW 0.09
17 sRFDMWWHGRWWGRRsQFFW 0.09
18 DRFpMWWWGRWWGRRsQFFW 0.09
19 sRFyMWWHGRWWGRRsQFWW 0.09
20 sRFpMWWHGRWWGRRsQFFW 0.1
21 DWFyMWWWGRWWGRRsQFFW 0.1
22 sRFyMWWRGRWWGRRsQFWW 0.11
23 sRFDMWWWGRWWGRRsQFFW 0.11
24 DRFDMWWHGRWWGRRsQFWW 0.11
25 sRFDMWWRGRWWGRRsQFFW 0.11
26 sWFyMWWHGRWWGRRsQFFW 0.11
27 DRFyMWWHGRWWGRRsQFyW 0.12
28 sRFpMWWWGRWWGRRsQFFW 0.12
29 DWFDMWWHGRWWGRRsQFFW 0.12
30 ERFyMWWHGRWWGRRsQFFW 0.12
31 DRFpMWWHGRWWGRRsQFWW 0.12
32 sRFpMWWRGRWWGRRsQFFW 0.12
33 sWFyMWWRGRWWGRRsQFFW 0.12
34 sRFyMWWWGRWWGRRsQFWW 0.12
35 DWFyMWWHGRWWGRRsQFWW 0.13
36 DRFDMWWRGRWWGRRsQFWW 0.13
37 sWFyMWWWGRWWGRRsQFFW 0.13
38 DWFpMWWHGRWWGRRsQFFW 0.13
39 DRFDMWWWGRWWGRRsQFWW 0.14
40 DRFyMWWRGRWWGRRsQFyW 0.14
41 sRFDMWWHGRWWGRRsQFWW 0.14
42 DRFpMWWWGRWWGRRsQFWW 0.14
43 DWFDMWWRGRWWGRRsQFFW 0.14
44 ERFyMWWRGRWWGRRsQFFW 0.14
45 DRFyLWWHGRWWGRRsQFFW 0.14
46 DRFpMWWRGRWWGRRsQFWW 0.14
47 ERFyMWWWGRWWGRRsQFFW 0.14
48 DRFyMWWWGRWWGRRsQFyW 0.14
49 DWFDMWWWGRWWGRRsQFFW 0.15
50 DWFyMWWRGRWWGRRsQFWW 0.15
51 DWFyMWWWGRWWGRRsQFWW 0.15
52 sRFyMWWHGRWWGRRsQFyW 0.15
53 DWFpMWWRGRWWGRRsQFFW 0.15
54 sRFpMWWHGRWWGRRsQFWW 0.15
55 DWFpMWWWGRWWGRRsQFFW 0.16
56 DRFyLWWRGRWWGRRsQFFW 0.16
57 sWFDMWWHGRWWGRRsQFFW 0.16
58 sWFyMWWHGRWWGRRsQFWW 0.16
59 DRFyRWWHGRWWGRRsQFFW 0.16
60 sRFDMWWRGRWWGRRsQFWW 0.16
61 DRFyMWWHSRWWGRRsQFFW 0.17
62 sRFDMWWWGRWWGRRsQFWW 0.17
63 sRFyMWWRGRWWGRRsQFyW 0.17
64 ERFyMWWHGRWWGRRsQFWW 0.17
65 DRFyLWWWGRWWGRRsQFFW 0.17
66 sWFpMWWHGRWWGRRsQFFW 0.17
67 sRFpMWWRGRWWGRRsQFWW 0.17
68 ERFDMWWHGRWWGRRsQFFW 0.17
69 DRFDMWWHGRWWGRRsQFyW 0.17
70 sWFyMWWRGRWWGRRsQFWW 0.18
71 sWFDMWWWGRWWGRRsQFFW 0.18
72 sRFyMWWWGRWWGRRsQFyW 0.18
73 sWFpMWWRGRWWGRRsQFFW 0.18
74 DRFpMWWHGRWWGRRsQFyW 0.18
75 sRFyLWWHGRWWGRRsQFFW 0.18
76 sRFpMWWWGRWWGRRsQFWW 0.18
77 DWFDMWWHGRWWGRRsQFWW 0.18
78 sWFDMWWRGRWWGRRsQFFW 0.18
79 DRFyRWWRGRWWGRRsQFFW 0.18
80 ERFpMWWHGRWWGRRsQFFW 0.18
81 DRFyMWWRSRWWGRRsQFFW 0.19
82 DWFpMWWHGRWWGRRsQFWW 0.19
83 DRFyMWWWSRWWGRRsQFFW 0.19
84 DRFDMWWRGRWWGRRsQFyW 0.19
85 EWFyMWWHGRWWGRRsQFFW 0.19
86 sWFyMWWWGRWWGRRsQFWW 0.19
87 DWFyMWWHGRWWGRRsQFyW 0.19
88 ERFyMWWRGRWWGRRsQFWW 0.19
89 DRFDLWWHGRWWGRRsQFFW 0.19
90 DRFyRWWWGRWWGRRsQFFW 0.19
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DWFyMWWRGRWWGRRsQFFW

7.13

-35.86

-28.73
2 DRFyMWWHGRWWGRRsQFWW

7.75

-35.64

-27.89
3 sRFyMWWRGRWWGRRsQFFW

7.92

-35.03

-27.11
4 DRFyMWWHGRWWGRRsQFFW

7.31

-34.05

-26.74
5 sRFyMWWWGRWWGRRsQFFW

7.56

-33.43

-25.87
6 DWFyMWWWGRWWGRRsQFFW

8.72

-34.13

-25.41
7 sRFyMWWHGRWWGRRsQFWW

6.77

-32.05

-25.28
8 sRFDMWWWGRWWGRRsQFFW

7.73

-32.94

-25.21
9 sWFyMWWHGRWWGRRsQFFW

6.72

-31.72

-25.0
10 sRFDMWWHGRWWGRRsQFFW

6.65

-31.33

-24.68
11 ERFyMWWHGRWWGRRsQFFW

7.26

-31.55

-24.29
12 DRFyMWWWGRWWGRRsQFFW

7.03

-31.12

-24.09
13 DRFpMWWWGRWWGRRsQFFW

6.6

-30.68

-24.08
14 sRFyMWWRGRWWGRRsQFWW

7.48

-31.41

-23.93
15 DRFpMWWRGRWWGRRsQFFW

6.34

-30.02

-23.68
16 DRFyMWWRGRWWGRRsQFFW

8.19

-31.59

-23.4
17 DWFDMWWHGRWWGRRsQFFW

7.33

-30.45

-23.12
18 DRFDMWWRGRWWGRRsQFFW

9.41

-32.27

-22.86
19 sRFpMWWWGRWWGRRsQFFW

6.58

-29.3

-22.72
20 DRFDMWWHGRWWGRRsQFFW

7.89

-30.5

-22.61
21 DRFyMWWWGRWWGRRsQFWW

6.4

-28.11

-21.71
22 sRFDMWWRGRWWGRRsQFFW

6.91

-28.52

-21.61
23 DRFDMWWWGRWWGRRsQFFW

8.58

-30.07

-21.49
24 DRFpMWWHGRWWGRRsQFFW

7.35

-28.55

-21.2
25 DRFyMWWHGRWWGRRsQFyW

8.91

-29.41

-20.5
26 DRFyMWWRGRWWGRRsQFWW

8.79

-28.56

-19.77
27 DWFyMWWHGRWWGRRsQFFW

7.47

-27.12

-19.65
28 sRFpMWWHGRWWGRRsQFFW

6.76

-26.01

-19.25
29 sRFyMWWHGRWWGRRsQFFW

7.06

-26.29

-19.23
30 DRFDMWWHGRWWGRRsQFWW

7.99

-25.35

-17.36

 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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