Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_1ZUU-8.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala
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 10.982 ΔGbinding 1.381
TOTAL
 12.363
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.746
Van der Waals -4.229 Backbone clash 9.666
Electrostatics 0.279 Helix dipole 0.000
Solvation Polar 5.416 Water bridges -0.005
Solvation Hyd -5.393 Disulfide 0.000
VdW clashes 3.130 Electrost. Kon 0.275
Entropy sc 0.794 Part.cov.bonds 0.000
Entropy mc

3.419

 ΔGstability

52.346
       

Predicted ligand sequences for model [BZZ1-D2_1ZUU-8.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).
 
  BZZ1-D2_1ZUU-8.PDB  

(data)
# Predicted Sequences Value Calculate
1 FFPPRRHR 0.0
2 RFPPRRHR 0.01
3 HFPPRRHR 0.02
4 FWPPRRHR 0.05
5 RWPPRRHR 0.07
6 HWPPRRHR 0.07
7 FFPPREHR 0.15
8 HFPPREHR 0.17
9 FFPPRRER 0.17
10 RFPPREHR 0.17
11 HFPPRRER 0.19
12 RFPPRRER 0.19
13 FWPPREHR 0.2
14 RWPPREHR 0.22
15 HWPPREHR 0.22
16 FFPPRRDR 0.22
17 FWPPRRER 0.22
18 RFPPRRDR 0.23
19 HFPPRRDR 0.23
20 HWPPRRER 0.24
21 RWPPRRER 0.24
22 FWPPRRDR 0.27
23 RWPPRRDR 0.28
24 HWPPRRDR 0.29
25 FFPPREER 0.32
26 FFPWRRHR 0.33
27 FFPFRRHR 0.34
28 HFPPREER 0.34
29 RFPWRRHR 0.34
30 RFPPREER 0.34
31 HFPWRRHR 0.35
32 RFPFRRHR 0.35
33 HFPFRRHR 0.36
34 FFPPREDR 0.37
35 FWPPREER 0.37
36 RFPPREDR 0.38
37 FWPWRRHR 0.38
38 HFPPREDR 0.39
39 HWPPREER 0.39
40 RWPPREER 0.39
41 FWPFRRHR 0.39
42 RWPWRRHR 0.4
43 HWPWRRHR 0.4
44 HWPFRRHR 0.41
45 RWPFRRHR 0.41
46 FWPPREDR 0.42
47 RWPPREDR 0.43
48 HWPPREDR 0.44
49 FFHPRRHR 0.46
50 RFHPRRHR 0.47
51 HFHPRRHR 0.47
52 FFPWREHR 0.48
53 RFPWREHR 0.49
54 FFPFREHR 0.49
55 FFPPRRHM 0.5
56 HFPWREHR 0.5
57 FFPWRRER 0.5
58 RFPFREHR 0.51
59 HFPFREHR 0.51
60 FFPFRRER 0.51
61 FWHPRRHR 0.51
62 RFPPRRHM 0.51
63 RFPWRRER 0.52
64 HFPWRRER 0.52
65 RWHPRRHR 0.52
66 HFPPRRHM 0.52
67 FWPWREHR 0.53
68 HWHPRRHR 0.53
69 RFPFRRER 0.53
70 HFPFRRER 0.53
71 FWPFREHR 0.54
72 FFPWRRDR 0.55
73 FWPPRRHM 0.55
74 HWPWREHR 0.55
75 RWPWREHR 0.55
76 FWPWRRER 0.55
77 FWPFRRER 0.56
78 RFPWRRDR 0.56
79 RWPPRRHM 0.56
80 RWPFREHR 0.56
81 HWPFREHR 0.56
82 FFPFRRDR 0.56
83 HWPWRRER 0.57
84 RWPWRRER 0.57
85 RFPFRRDR 0.57
86 HFPWRRDR 0.57
87 HWPPRRHM 0.57
88 RWPFRRER 0.58
89 HFPFRRDR 0.58
90 HWPFRRER 0.58
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RFPPREER

10.66

-5.75

4.91
2 FWPPRRER

11.76

-6.16

5.6
3 HFPPREER

11.05

-5.35

5.7
4 RWPPRRER

11.72

-5.51

6.21
5 HWPPRRER

11.86

-5.61

6.25
6 FFPPRRER

11.85

-4.91

6.94
7 FFPPRRDR

11.92

-4.86

7.06
8 RWPPREHR

10.63

-3.55

7.08
9 RFPPRRHR

11.59

-4.31

7.28
10 FWPPREHR

10.97

-3.68

7.29
11 RWPPRRHR

12.32

-4.96

7.36
12 RFPPRRER

11.52

-3.78

7.74
13 FFPPREER

11.0

-3.24

7.76
14 RFPPREHR

11.02

-3.24

7.78
15 RFPWRRHR

9.48

-1.65

7.83
16 HFPPRRER

11.45

-3.58

7.87
17 FWPPRRDR

11.63

-3.73

7.9
18 FFPPREHR

10.57

-2.64

7.93
19 RFPPRRDR

11.4

-3.38

8.02
20 FWPPRRHR

11.16

-2.87

8.29
21 HWPPRRDR

11.82

-3.49

8.33
22 FFPPRRHR

11.54

-3.15

8.39
23 HFPPREHR

12.1

-3.71

8.39
24 HFPPRRHR

11.48

-2.9

8.58
25 FFPFRRHR

11.51

-2.93

8.58
26 FFPWRRHR

11.62

-2.91

8.71
27 HWPPREHR

11.83

-3.01

8.82
28 HFPPRRDR

11.33

-2.43

8.9
29 RWPPRRDR

11.57

-2.31

9.26
30 HWPPRRHR

11.97

-2.32

9.65

 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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