Predicted ligand sequences


ADAN-name: 2G012.PDB (view again the scoring matrix)

PDB name: [2G01.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT P K R P T T L N L
position 1 2 3 4 5 6 7 8 9
poly-Ala
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 15.913 ΔGbinding -4.569
TOTAL
 11.344
Backbone Hb -3.688 Cis_bond 0.000
Sidechain Hb -4.563 Torsional clash 1.110
Van der Waals -11.055 Backbone clash 1.443
Electrostatics -0.524 Helix dipole 0.000
Solvation Polar 11.114 Water bridges -0.161
Solvation Hyd -17.202 Disulfide 0.000
VdW clashes 8.582 Electrost. Kon -0.500
Entropy sc 5.607 Part.cov.bonds 0.000
Entropy mc

6.710

 ΔGstability

455.278
       

Predicted ligand sequences for template [2G012.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).
 
  2G012.PDB  

(data)
# Predicted Sequences Value Calculate
1 FHKPRHMPG 0.0
2 FHKPRWMPG 0.03
3 FHKPHHMPG 0.11
4 FHKPFHMPG 0.12
5 FHMPRHMPG 0.13
6 FHKPRFMPG 0.14
7 FHKPHWMPG 0.14
8 FHKPFWMPG 0.15
9 FHMPRWMPG 0.17
10 FHRPRHMPG 0.17
11 FHRPRWMPG 0.21
12 FHMPHHMPG 0.24
13 FHMPFHMPG 0.25
14 FHKPHFMPG 0.25
15 FHKPFFMPG 0.26
16 FHMPRFMPG 0.27
17 FHMPHWMPG 0.28
18 FHMPFWMPG 0.28
19 FHRPHHMPG 0.28
20 FHRPFHMPG 0.29
21 FHRPRFMPG 0.31
22 FHRPHWMPG 0.31
23 FHRPFWMPG 0.32
24 MHKPRHMPG 0.35
25 FHKCRHMPG 0.36
26 FHMPHFMPG 0.38
27 MHKPRWMPG 0.38
28 FHMPFFMPG 0.39
29 FHKCRWMPG 0.4
30 FHKPRHMFG 0.41
31 FHRPHFMPG 0.42
32 FHRPFFMPG 0.43
33 FHKPRHMKG 0.44
34 FHKPRWMFG 0.45
35 MHKPHHMPG 0.46
36 FHKPRWMKG 0.47
37 FHKCHHMPG 0.47
38 MHKPFHMPG 0.47
39 FHKCFHMPG 0.48
40 MHMPRHMPG 0.48
41 MHKPHWMPG 0.49
42 MHKPRFMPG 0.49
43 MHKPFWMPG 0.5
44 FHMCRHMPG 0.5
45 FHKCRFMPG 0.5
46 FHKCFWMPG 0.51
47 FHKCHWMPG 0.51
48 FHKPHHMFG 0.52
49 MHRPRHMPG 0.52
50 MHMPRWMPG 0.52
51 FHMCRWMPG 0.53
52 FHKPFHMFG 0.53
53 FHRCRHMPG 0.54
54 FHKPHWMFG 0.55
55 FHKPHHMKG 0.55
56 FHMPRHMFG 0.55
57 FHKPRFMFG 0.55
58 FHKPFHMKG 0.56
59 MHRPRWMPG 0.56
60 FHKPFWMFG 0.56
61 FHMPRHMKG 0.57
62 FHRCRWMPG 0.57
63 FHKPRFMKG 0.58
64 FHKPHWMKG 0.58
65 FHMPRWMFG 0.58
66 FHRPRHMFG 0.59
67 FHKPFWMKG 0.59
68 MHMPHHMPG 0.59
69 FHMCHHMPG 0.6
70 MHKPHFMPG 0.6
71 MHMPFHMPG 0.6
72 FHMCFHMPG 0.61
73 FHRPRHMKG 0.61
74 FHKCHFMPG 0.61
75 MHKPFFMPG 0.61
76 FHMPRWMKG 0.61
77 FHKCFFMPG 0.62
78 FHRPRWMFG 0.62
79 MHMPRFMPG 0.62
80 MHMPHWMPG 0.63
81 MHRPHHMPG 0.63
82 MHRPFHMPG 0.64
83 MHMPFWMPG 0.64
84 FHMCHWMPG 0.64
85 FHMCRFMPG 0.64
86 FHRPRWMKG 0.65
87 FHMCFWMPG 0.65
88 FHRCFHMPG 0.65
89 FHRCHHMPG 0.65
90 MHRPRFMPG 0.66
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FHKCRHMPG

12.55

-9.41

3.14
2 MHKPRHMPG

12.58

-9.16

3.42
3 FHRPFHMPG

12.73

-9.12

3.61
4 FHMPHHMPG

13.29

-9.58

3.71
5 FHKCRWMPG

13.14

-9.14

4.0
6 FHMPHFMPG

12.6

-8.57

4.03
7 FHMPRFMPG

13.75

-9.54

4.21
8 FHMPFFMPG

12.55

-8.22

4.33
9 FHKPRFMPG

12.7

-8.36

4.34
10 MHKPRWMPG

12.84

-8.24

4.6
11 FHKPHFMPG

13.53

-8.78

4.75
12 FHMPHWMPG

13.06

-8.14

4.92
13 FHMPFWMPG

13.43

-8.47

4.96
14 FHMPFHMPG

12.76

-7.65

5.11
15 FHKPFWMPG

12.85

-7.71

5.14
16 FHKPFHMPG

13.68

-8.49

5.19
17 FHKPRWMPG

13.32

-8.03

5.29
18 FHRPHWMPG

13.4

-8.06

5.34
19 FHRPRWMPG

13.21

-7.87

5.34
20 FHRPFWMPG

13.17

-7.61

5.56
21 FHMPRWMPG

13.06

-7.43

5.63
22 FHRPRFMPG

13.14

-7.41

5.73
23 FHKPHWMPG

12.99

-7.24

5.75
24 FHKPRHMPG

13.37

-7.54

5.83
25 FHRPHHMPG

13.56

-7.63

5.93
26 FHKPFFMPG

13.32

-7.35

5.97
27 FHRPRHMPG

12.69

-6.65

6.04
28 FHMPRHMPG

13.24

-7.02

6.22
29 FHKPHHMPG

13.66

-5.75

7.91
30 FHKPRHMFG

15.7

-7.16

8.54

 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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