Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_1ZUU-12.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 7.255 ΔGbinding 2.894
TOTAL
 10.149
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.436
Van der Waals -2.397 Backbone clash 0.011
Electrostatics 0.122 Helix dipole 0.000
Solvation Polar 2.778 Water bridges 0.000
Solvation Hyd -3.109 Disulfide 0.000
VdW clashes 3.335 Electrost. Kon 0.110
Entropy sc 0.304 Part.cov.bonds 0.000
Entropy mc

1.315

 ΔGstability

38.741
       

Predicted ligand sequences for model [BZZ1-D2_1ZUU-12.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-12.PDB  

(data)
# Predicted Sequences Value Calculate
1 REFRPRRR 0.0
2 REFRRRRR 0.01
3 REFRHRRR 0.17
4 REFRKRRR 0.2
5 WEFRPRRR 0.23
6 WEFRRRRR 0.24
7 REFRPRRK 0.31
8 REFRRRRK 0.32
9 RKFRPRRR 0.4
10 WEFRHRRR 0.4
11 FEFRRRRR 0.41
12 RKFRRRRR 0.41
13 FEFRPRRR 0.41
14 YEFRPRRR 0.42
15 YEFRRRRR 0.43
16 WEFRKRRR 0.43
17 REFRHRRK 0.48
18 REFRPRRH 0.5
19 REFRRRRH 0.5
20 REFRKRRK 0.51
21 WEFRPRRK 0.54
22 WEFRRRRK 0.55
23 RKFRHRRR 0.57
24 FEFRHRRR 0.58
25 YEFRHRRR 0.59
26 FEFRKRRR 0.6
27 RKFRKRRR 0.6
28 YEFRKRRR 0.62
29 WKFRPRRR 0.64
30 WKFRRRRR 0.64
31 REFRHRRH 0.67
32 REFRKRRH 0.69
33 WEFRHRRK 0.71
34 FEFRRRRK 0.72
35 RKFRRRRK 0.72
36 RKFRPRRK 0.72
37 FEFRPRRK 0.72
38 WEFRRRRH 0.73
39 YEFRPRRK 0.73
40 WEFRPRRH 0.73
41 YEFRRRRK 0.74
42 WEFRKRRK 0.74
43 WKFRHRRR 0.81
44 FKFRPRRR 0.81
45 FKFRRRRR 0.81
46 WKFRKRRR 0.83
47 YKFRRRRR 0.83
48 YKFRPRRR 0.83
49 RKFRHRRK 0.89
50 FEFRHRRK 0.89
51 RKFRPRRH 0.9
52 WEFRHRRH 0.9
53 YEFRHRRK 0.9
54 FEFRPRRH 0.9
55 FEFRRRRH 0.91
56 FEFRKRRK 0.91
57 RKFRKRRK 0.91
58 RKFRRRRH 0.91
59 YEFRRRRH 0.92
60 YEFRPRRH 0.92
61 YEFRKRRK 0.93
62 WEFRKRRH 0.93
63 WKFRPRRK 0.95
64 WKFRRRRK 0.95
65 FKFRHRRR 0.98
66 YKFRHRRR 1.0
67 FKFRKRRR 1.01
68 YKFRKRRR 1.02
69 RKFRHRRH 1.07
70 FEFRHRRH 1.07
71 YEFRHRRH 1.09
72 FEFRKRRH 1.1
73 RKFRKRRH 1.1
74 WKFRHRRK 1.12
75 YEFRKRRH 1.12
76 FKFRPRRK 1.12
77 WKFRPRRH 1.13
78 FKFRRRRK 1.13
79 YKFRPRRK 1.14
80 WKFRRRRH 1.14
81 YKFRRRRK 1.14
82 WKFRKRRK 1.15
83 FKFRHRRK 1.29
84 WKFRHRRH 1.3
85 FKFRPRRH 1.31
86 YKFRHRRK 1.31
87 FKFRRRRH 1.31
88 FKFRKRRK 1.32
89 YKFRPRRH 1.32
90 WKFRKRRH 1.33
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 REFRRRRR

5.32

-4.57

0.75
2 REFRPRRR

5.38

-4.41

0.97
3 YEFRPRRR

5.41

-4.44

0.97
4 RKFRPRRR

5.37

-4.36

1.01
5 FEFRRRRR

4.68

-3.36

1.32
6 REFRRRRH

4.52

-3.18

1.34
7 YEFRRRRR

4.94

-3.49

1.45
8 WEFRRRRR

6.15

-4.69

1.46
9 FEFRHRRR

5.51

-4.01

1.5
10 YEFRKRRR

4.65

-3.08

1.57
11 REFRPRRK

5.78

-4.19

1.59
12 WEFRPRRR

5.36

-3.74

1.62
13 YEFRHRRR

5.25

-3.57

1.68
14 REFRHRRK

5.99

-4.31

1.68
15 REFRRRRK

5.83

-4.11

1.72
16 WEFRPRRK

5.47

-3.74

1.73
17 REFRPRRH

5.7

-3.8

1.9
18 FEFRPRRR

6.27

-4.34

1.93
19 RKFRHRRR

5.08

-3.15

1.93
20 WEFRRRRK

5.05

-3.1

1.95
21 RKFRKRRR

4.76

-2.77

1.99
22 WKFRPRRR

4.95

-2.86

2.09
23 REFRKRRK

5.31

-3.18

2.13
24 WEFRKRRR

6.22

-3.9

2.32
25 REFRHRRR

5.81

-3.4

2.41
26 WEFRHRRR

5.76

-2.93

2.83
27 REFRKRRR

6.65

-3.79

2.86
28 WKFRRRRR

5.46

-2.4

3.06
29 RKFRRRRR

6.07

-2.87

3.2
30 FEFRKRRR

5.9

-2.42

3.48

 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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