Predicted ligand sequences


ADAN-name: 1JMQ2.PDB (view again the scoring matrix)

PDB name: [1JMQ.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT G T P P P P Y T V G
position 1 2 3 4 5 6 7 8 9 10
poly-Ala
G
 A A A
A
A
A
 A
A
G

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 13.566 ΔGbinding 0.373
TOTAL
 13.939
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -2.412 Torsional clash 2.796
Van der Waals -6.188 Backbone clash 1.499
Electrostatics -0.018 Helix dipole 0.000
Solvation Polar 5.932 Water bridges 0.000
Solvation Hyd -8.619 Disulfide 0.000
VdW clashes 5.260 Electrost. Kon -0.123
Entropy sc 1.740 Part.cov.bonds 0.000
Entropy mc

2.643

 ΔGstability

99.247
       

Predicted ligand sequences for template [1JMQ2.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).
 
  1JMQ2.PDB  

(data)
# Predicted Sequences Value Calculate
1 MFPGPsGWsE 0.0
2 MFPGPsGWsp 0.04
3 MFPGPsGWsD 0.04
4 MFPGPPGWsE 0.04
5 yFPGPsGWsE 0.04
6 MFPGPsGFsE 0.05
7 MFPGPsGysE 0.06
8 yFPGPPGWsE 0.08
9 EFPGPsGWsE 0.08
10 yFPGPsGWsD 0.08
11 yFPGPsGWsp 0.08
12 yFPGPsGFsE 0.09
13 MFPGPPGFsE 0.09
14 MFPGPsGFsp 0.09
15 MFPGPsGFsD 0.09
16 MFPGPPGWsD 0.09
17 MFPGPPGWsp 0.09
18 MFPGPPGysE 0.1
19 MFPGPsGysD 0.1
20 MFPGPsGysp 0.1
21 yFPGPsGysE 0.1
22 MFPGPDGWsE 0.11
23 MFDGPsGWsE 0.11
24 yFPGPPGWsp 0.12
25 EFPGPsGFsE 0.13
26 yFPGPsGFsD 0.13
27 yFPGPsGFsp 0.13
28 yFPGPPGWsD 0.13
29 EFPGPPGWsE 0.13
30 EFPGPsGWsp 0.13
31 yFPGPPGFsE 0.13
32 EFPGPsGWsD 0.13
33 MFPGPPGFsD 0.14
34 MFPGPPGFsp 0.14
35 EFPGPsGysE 0.14
36 yFPGPPGysE 0.14
37 yFPGPsGysp 0.14
38 MFEGPsGWsE 0.14
39 yFPGPsGysD 0.14
40 yFPGPDGWsE 0.15
41 yFDGPsGWsE 0.15
42 MFDGPPGWsE 0.15
43 MFDGPsGWsD 0.15
44 MFDGPsGWsp 0.15
45 MFPGPPGysD 0.15
46 MFPGPPGysp 0.15
47 MFPGPDGWsD 0.16
48 MFPGPDGWsp 0.16
49 MFDGPsGFsE 0.16
50 MFPGPDGFsE 0.16
51 MFDGPsGysE 0.17
52 MFPGPDGysE 0.17
53 EFPGPPGWsD 0.17
54 yFPGPPGFsp 0.17
55 EFPGPPGWsp 0.17
56 EFPGPsGFsD 0.18
57 EFPGPsGysp 0.18
58 yFPGPPGysp 0.18
59 yFPGPPGysD 0.18
60 EFPGPPGFsE 0.18
61 EFPGPsGFsp 0.18
62 yFEGPsGWsE 0.18
63 yFPGPPGFsD 0.18
64 yFPGPDGWsp 0.19
65 EFPGPsGysD 0.19
66 yFDGPsGWsD 0.19
67 yFDGPsGWsp 0.19
68 EFDGPsGWsE 0.19
69 yFDGPPGWsE 0.19
70 MFEGPsGWsD 0.19
71 MFEGPsGWsp 0.19
72 EFPGPPGysE 0.19
73 MFEGPPGWsE 0.19
74 yFPGPDGWsD 0.2
75 yFDGPsGFsE 0.2
76 MFDGPPGWsp 0.2
77 MFDGPPGWsD 0.2
78 yFPGPDGFsE 0.2
79 EFPGPDGWsE 0.2
80 MFDGPsGFsp 0.2
81 MFDGPsGFsD 0.2
82 MFEGPsGysE 0.2
83 MFEGPsGFsE 0.2
84 yFDGPsGysE 0.2
85 MFDGPPGFsE 0.2
86 MFDGPsGysD 0.21
87 MFDGPsGysp 0.21
88 MFPGPDGysp 0.21
89 MMPGPsGWsE 0.21
90 MFDGPPGysE 0.21
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 EFPGPsGFsE

4.93

-4.61

0.32
2 yFPGPsGysE

4.83

-3.97

0.86
3 MFPGPsGWsD

4.28

-2.64

1.64
4 MFPGPsGysD

4.58

-2.93

1.65
5 MFPGPPGWsD

4.41

-2.51

1.9
6 MFDGPsGWsE

6.22

-4.28

1.94
7 yFPGPsGWsD

5.58

-3.35

2.23
8 yFPGPPGWsD

6.74

-4.23

2.51
9 MFPGPDGWsE

5.39

-2.77

2.62
10 MFPGPsGysE

5.26

-2.51

2.75
11 MFPGPPGWsp

5.68

-2.65

3.03
12 MFPGPPGWsE

4.86

-1.68

3.18
13 yFPGPPGWsp

5.2

-1.92

3.28
14 EFPGPPGWsE

5.65

-2.32

3.33
15 yFPGPsGFsE

6.12

-2.77

3.35
16 MFPGPsGFsE

5.57

-2.11

3.46
17 MFPGPsGFsD

5.49

-2.01

3.48
18 MFPGPsGFsp

6.27

-2.61

3.66
19 EFPGPsGWsp

7.81

-3.86

3.95
20 yFPGPsGFsp

6.28

-2.2

4.08
21 yFPGPPGWsE

5.89

-1.54

4.35
22 MFPGPPGFsE

5.75

-1.38

4.37
23 EFPGPsGWsE

6.92

-2.44

4.48
24 yFPGPsGFsD

6.07

-1.38

4.69
25 MFPGPsGysp

5.88

-1.13

4.75
26 MFPGPsGWsE

7.43

-2.53

4.9
27 MFPGPPGysE

6.16

-1.18

4.98
28 yFPGPsGWsp

6.0

-0.96

5.04
29 yFPGPsGWsE

6.08

-0.29

5.79
30 MFPGPsGWsp

8.41

-1.38

7.03

 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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