Predicted ligand sequences


ADAN-name: 2C232.PDB (view again the scoring matrix)

PDB name: [2C23.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT G L L D A L D L A S K
position 1 2 3 4 5 6 7 8 9 10 11
poly-Ala
G
 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 8.071 ΔGbinding -16.380
TOTAL
 -8.309
Backbone Hb -3.010 Cis_bond 0.000
Sidechain Hb -5.390 Torsional clash 0.320
Van der Waals -12.290 Backbone clash 4.200
Electrostatics -0.800 Helix dipole 0.010
Solvation Polar 13.720 Water bridges -2.480
Solvation Hyd -17.850 Disulfide 0.000
VdW clashes 2.270 Electrost. Kon -0.520
Entropy sc 6.400 Part.cov.bonds 0.000
Entropy mc

3.260

 ΔGstability

18.800
       

Predicted ligand sequences for template [2C232.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).
 
  2C232.PDB  

(data)
# Predicted Sequences Value Calculate
1 RDMEAMyLLGH 0.0
2 RDMLAMyLLGH 0.03
3 RDMEAMyLLGF 0.03
4 RDMLAMyLLGF 0.06
5 RDMEAMyLLGL 0.07
6 RDMEALyLLGH 0.09
7 RDMLAMyLLGL 0.1
8 RDMEALyLLGF 0.11
9 RDMEAMyLDGH 0.12
10 RDMLALyLLGH 0.12
11 RDMNAMyLLGH 0.13
12 RDMEAMyLDGF 0.14
13 RDMLALyLLGF 0.14
14 RDMLAMyLDGH 0.15
15 RDMNAMyLLGF 0.15
16 RDMEALyLLGL 0.16
17 RMMEAMyLLGH 0.17
18 RDMLAMyLDGF 0.17
19 RDMEAMyLDGL 0.19
20 RDMLALyLLGL 0.19
21 RMMEAMyLLGF 0.2
22 RDMEALyLDGH 0.2
23 RDMNAMyLLGL 0.2
24 RMMLAMyLLGH 0.2
25 RDMNALyLLGH 0.22
26 RDMLAMyLDGL 0.22
27 RDMLALyLDGH 0.23
28 RDMEALyLDGF 0.23
29 RMMLAMyLLGF 0.23
30 RMMEAMyLLGL 0.24
31 RDMNALyLLGF 0.24
32 RDMNAMyLDGH 0.25
33 RDMEADyLLGH 0.25
34 RDMLALyLDGF 0.26
35 RMMEALyLLGH 0.26
36 RDMNAMyLDGF 0.27
37 RMMLAMyLLGL 0.27
38 RDMEADyLLGF 0.27
39 RDMEALyLDGL 0.28
40 RMMEALyLLGF 0.28
41 RDMLADyLLGH 0.28
42 RMMLALyLLGH 0.29
43 RDMNALyLLGL 0.29
44 RMMEAMyLDGH 0.29
45 RMMNAMyLLGH 0.3
46 RDMLADyLLGF 0.3
47 RMMLALyLLGF 0.31
48 RDMLALyLDGL 0.31
49 RMMLAMyLDGH 0.32
50 RDMNAMyLDGL 0.32
51 RMMEAMyLDGF 0.32
52 RDMEADyLLGL 0.32
53 RDMNALyLDGH 0.33
54 RMMNAMyLLGF 0.33
55 RMMEALyLLGL 0.33
56 RMMLAMyLDGF 0.35
57 RDMLADyLLGL 0.35
58 RDMNALyLDGF 0.36
59 RMMLALyLLGL 0.36
60 RDFEAMyLLGH 0.36
61 RMMEAMyLDGL 0.36
62 RDMEAMyMLGH 0.37
63 RDMEADyLDGH 0.37
64 RMMNAMyLLGL 0.37
65 RMMEALyLDGH 0.38
66 RDFEAMyLLGF 0.38
67 RDMNADyLLGH 0.38
68 RMMLAMyLDGL 0.39
69 RDMEAMyMLGF 0.39
70 RDMEADyLDGF 0.39
71 RDFLAMyLLGH 0.39
72 RMMNALyLLGH 0.39
73 RDMLADyLDGH 0.4
74 RDMNADyLLGF 0.4
75 RMMEALyLDGF 0.4
76 RDMLAMyMLGH 0.4
77 RDFLAMyLLGF 0.41
78 RDMNALyLDGL 0.41
79 RMMNALyLLGF 0.41
80 RMMLALyLDGH 0.41
81 RMMNAMyLDGH 0.42
82 RMMEADyLLGH 0.42
83 RDMLADyLDGF 0.42
84 RDMLAMyMLGF 0.42
85 RDFEAMyLLGL 0.43
86 RMMLALyLDGF 0.43
87 RMMEADyLLGF 0.44
88 RDMEAMyMLGL 0.44
89 RDMEADyLDGL 0.44
90 RDFEALyLLGH 0.44
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RDMLAMyLLGF

6.59

-25.64

-19.05
2 RDMNALyLLGH

7.76

-25.27

-17.51
3 RDMEALyLLGH

7.6

-24.96

-17.36
4 RDMEAMyLLGF

7.38

-23.61

-16.23
5 RDMEALyLLGF

7.5

-23.72

-16.22
6 RDMEALyLLGL

7.33

-22.53

-15.2
7 RDMLAMyLDGF

7.38

-21.85

-14.47
8 RDMLALyLLGF

8.11

-22.11

-14.0
9 RDMEAMyLDGF

6.95

-20.85

-13.9
10 RDMNAMyLLGH

8.37

-22.26

-13.89
11 RDMEAMyLLGL

7.52

-21.39

-13.87
12 RMMEAMyLLGF

8.49

-22.28

-13.79
13 RDMEAMyLDGL

8.04

-21.73

-13.69
14 RDMEAMyLLGH

8.1

-21.69

-13.59
15 RDMLAMyLDGH

7.39

-20.93

-13.54
16 RDMEAMyLDGH

7.69

-21.23

-13.54
17 RDMLAMyLDGL

7.99

-19.95

-11.96
18 RDMEALyLDGF

8.29

-19.64

-11.35
19 RDMLALyLDGH

8.22

-19.29

-11.07
20 RMMEAMyLLGL

8.12

-19.09

-10.97
21 RDMEALyLDGH

8.4

-19.35

-10.95
22 RDMLAMyLLGL

8.47

-18.62

-10.15
23 RMMEAMyLLGH

8.62

-18.66

-10.04
24 RDMNAMyLLGF

8.43

-18.08

-9.65
25 RDMLALyLLGL

8.21

-17.79

-9.58
26 RMMLAMyLLGF

8.53

-17.93

-9.4
27 RDMNAMyLLGL

9.07

-17.41

-8.34
28 RDMLAMyLLGH

8.75

-16.44

-7.69
29 RMMLAMyLLGH

9.85

-17.5

-7.65
30 RDMLALyLLGH

8.89

-16.21

-7.32

 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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