Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_1ZUU-20.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8 9
poly-Ala A
A
A
A
A
G
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 6.353 ΔGbinding 2.752
TOTAL
 9.105
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.117
Van der Waals -4.802 Backbone clash 0.099
Electrostatics 0.514 Helix dipole 0.000
Solvation Polar 5.609 Water bridges 0.009
Solvation Hyd -6.291 Disulfide 0.000
VdW clashes 4.766 Electrost. Kon 0.521
Entropy sc 0.787 Part.cov.bonds 0.000
Entropy mc

4.073

 ΔGstability

30.317
       

Predicted ligand sequences for model [BZZ1-D1_1ZUU-20.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-D1_1ZUU-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 FRFPRGYHR 0.0
2 FRPPRGYHR 0.11
3 FRWPRGYHR 0.13
4 WRFPRGYHR 0.14
5 NRFPRGYHR 0.25
6 WRPPRGYHR 0.25
7 FPFPRGYHR 0.26
8 WRWPRGYHR 0.27
9 FRFPRGYSR 0.36
10 NRPPRGYHR 0.36
11 FPPPRGYHR 0.37
12 FRFPRGYHF 0.37
13 NRWPRGYHR 0.38
14 FPWPRGYHR 0.39
15 WPFPRGYHR 0.4
16 FRFPRGRHR 0.45
17 FRPPRGYSR 0.47
18 FRPPRGYHF 0.48
19 WRFPRGYSR 0.49
20 FRWPRGYSR 0.49
21 FRWPRGYHF 0.5
22 NPFPRGYHR 0.51
23 WRFPRGYHF 0.51
24 WPPPRGYHR 0.51
25 WPWPRGYHR 0.53
26 FRPPRGRHR 0.56
27 FRWPRGRHR 0.58
28 WRFPRGRHR 0.59
29 NRFPRGYSR 0.61
30 WRPPRGYSR 0.61
31 FPFPRGYSR 0.62
32 NPPPRGYHR 0.62
33 WRWPRGYSR 0.62
34 NRFPRGYHF 0.62
35 WRPPRGYHF 0.62
36 FPFPRGYHF 0.63
37 NPWPRGYHR 0.64
38 WRWPRGYHF 0.64
39 NRFPRGRHR 0.7
40 WRPPRGRHR 0.7
41 FPFPRGRHR 0.71
42 NRPPRGYSR 0.72
43 WRWPRGRHR 0.72
44 FRFPRGYSF 0.73
45 FPPPRGYSR 0.73
46 NRPPRGYHF 0.74
47 NRWPRGYSR 0.74
48 FPPPRGYHF 0.74
49 FPWPRGYSR 0.75
50 NRWPRGYHF 0.75
51 FPWPRGYHF 0.76
52 WPFPRGYSR 0.76
53 WPFPRGYHF 0.77
54 FRFPRGRSR 0.8
55 NRPPRGRHR 0.81
56 FPPPRGRHR 0.82
57 FRFPRGRHF 0.82
58 NRWPRGRHR 0.83
59 FPWPRGRHR 0.84
60 FRPPRGYSF 0.84
61 WPFPRGRHR 0.85
62 FRWPRGYSF 0.86
63 WRFPRGYSF 0.87
64 WPPPRGYSR 0.87
65 NPFPRGYSR 0.87
66 NPFPRGYHF 0.88
67 WPPPRGYHF 0.88
68 WPWPRGYSR 0.89
69 WPWPRGYHF 0.9
70 FRPPRGRSR 0.92
71 FRPPRGRHF 0.93
72 FRWPRGRSR 0.93
73 WRFPRGRSR 0.94
74 FRWPRGRHF 0.95
75 NPFPRGRHR 0.96
76 WRFPRGRHF 0.96
77 WPPPRGRHR 0.96
78 NRFPRGYSF 0.98
79 NPPPRGYSR 0.98
80 WRPPRGYSF 0.98
81 WPWPRGRHR 0.98
82 FPFPRGYSF 0.99
83 NPPPRGYHF 1.0
84 WRWPRGYSF 1.0
85 NPWPRGYSR 1.0
86 NPWPRGYHF 1.01
87 FPFPRGRSR 1.06
88 NRFPRGRSR 1.06
89 WRPPRGRSR 1.06
90 NRFPRGRHF 1.07
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FPPPRGYHR

7.47

-9.64

-2.17
2 FRFPRGYHF

5.25

-7.4

-2.15
3 FPFPRGYHR

7.34

-8.96

-1.62
4 WPFPRGYHR

7.33

-8.76

-1.43
5 FRFPRGYHR

7.05

-8.46

-1.41
6 NPFPRGYHR

7.34

-8.66

-1.32
7 WPPPRGYHR

5.29

-6.49

-1.2
8 FRPPRGYHR

7.08

-8.15

-1.07
9 FPWPRGYHR

6.68

-7.41

-0.73
10 WPWPRGYHR

8.23

-8.66

-0.43
11 FRPPRGYHF

7.4

-7.8

-0.4
12 FRWPRGYHF

6.66

-7.06

-0.4
13 FRWPRGYHR

6.78

-7.03

-0.25
14 WRFPRGYHF

6.51

-6.6

-0.09
15 WRPPRGYSR

6.62

-6.71

-0.09
16 WRFPRGYSR

6.09

-5.82

0.27
17 FRWPRGYSR

7.73

-7.24

0.49
18 FRPPRGRHR

5.03

-4.4

0.63
19 WRFPRGYHR

6.23

-5.59

0.64
20 WRWPRGYHR

7.43

-6.78

0.65
21 FRFPRGYSR

7.2

-6.55

0.65
22 FRWPRGRHR

5.32

-4.62

0.7
23 WRPPRGYHR

7.83

-6.98

0.85
24 NRFPRGYHR

8.48

-7.57

0.91
25 FRPPRGYSR

7.75

-6.71

1.04
26 FRFPRGRHR

6.95

-5.46

1.49
27 WRFPRGRHR

7.23

-5.73

1.5
28 NRPPRGYHR

7.65

-5.9

1.75
29 NRWPRGYHR

7.43

-4.68

2.75
30 NRFPRGYSR

7.29

-4.38

2.91

 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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