Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_1ZUU-18.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 10
poly-Ala
A
A
A
A
A
 G
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 7.526 ΔGbinding 4.013
TOTAL
 11.539
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.693
Van der Waals -3.964 Backbone clash 1.183
Electrostatics 0.354 Helix dipole 0.000
Solvation Polar 4.842 Water bridges -0.102
Solvation Hyd -5.120 Disulfide 0.000
VdW clashes 4.897 Electrost. Kon 0.305
Entropy sc 0.838 Part.cov.bonds 0.000
Entropy mc

2.545

 ΔGstability

34.434
       

Predicted ligand sequences for model [BZZ1-D1_1ZUU-18.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-18.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPPIPGRHWR 0.0
2 FPPIPSRHWR 0.16
3 FPPIPGRYWR 0.19
4 FPPIKGRHWR 0.19
5 FPPIPGRHWK 0.2
6 FPPIPGRHWY 0.25
7 FPPIWGRHWR 0.25
8 FPIIPGRHWR 0.3
9 FPPIPSRYWR 0.34
10 FPPIKSRHWR 0.35
11 FPPIPSRHWK 0.36
12 FPPIKGRYWR 0.38
13 FPPIPGRYWK 0.39
14 FPPIKGRHWK 0.39
15 FPPIWSRHWR 0.4
16 FPPIPSRHWY 0.41
17 FPPIPGRHFR 0.41
18 FPPIWGRYWR 0.43
19 FPPIPGRYWY 0.44
20 FPPIKGRHWY 0.44
21 FPPIWGRHWK 0.45
22 FPIIPSRHWR 0.46
23 FPPIPRRHWR 0.46
24 FPIIPGRYWR 0.49
25 FPIIKGRHWR 0.49
26 FPIIPGRHWK 0.5
27 FPPIWGRHWY 0.5
28 FPPIKSRYWR 0.53
29 FPPIPSRYWK 0.54
30 FPIIPGRHWY 0.55
31 FPIIWGRHWR 0.55
32 FPPIKSRHWK 0.55
33 FPPIPSRHFR 0.57
34 FPPIKGRYWK 0.58
35 FPPIWSRYWR 0.59
36 FPPIPSRYWY 0.59
37 FPPIKSRHWY 0.6
38 FPPIPGRYFR 0.6
39 FPPIKGRHFR 0.6
40 FPPIPGRHFK 0.61
41 FPPIWSRHWK 0.61
42 FPPIKGRYWY 0.63
43 FPPIWGRYWK 0.64
44 FPIIPSRYWR 0.64
45 FPIIKSRHWR 0.65
46 FPPIPRRYWR 0.65
47 FPPIKRRHWR 0.65
48 FPIIPSRHWK 0.66
49 FPPIWGRHFR 0.66
50 FPPIWSRHWY 0.66
51 FPPIPRRHWK 0.66
52 FPPIPGRHFY 0.67
53 FPIIKGRYWR 0.68
54 FPPIWGRYWY 0.69
55 FPIIKGRHWK 0.69
56 FPIIPGRYWK 0.69
57 FPIIWSRHWR 0.7
58 FPIIPSRHWY 0.71
59 FPIIPGRHFR 0.71
60 FPPIPRRHWY 0.71
61 FPPIWRRHWR 0.71
62 FPPIKSRYWK 0.74
63 FPIIKGRHWY 0.74
64 FPIIPGRYWY 0.74
65 FPIIWGRYWR 0.74
66 FPIIWGRHWK 0.75
67 FPPIKSRHFR 0.76
68 FPIIPRRHWR 0.76
69 FPPIPSRYFR 0.76
70 FPPIPSRHFK 0.77
71 FPPIKSRYWY 0.79
72 FPPIWSRYWK 0.79
73 FPPIKGRYFR 0.79
74 FPIIWGRHWY 0.8
75 FPPIPGRYFK 0.8
76 FPPIKGRHFK 0.81
77 FPPIPSRHFY 0.82
78 FPPIWSRHFR 0.82
79 FPIIKSRYWR 0.83
80 FPPIKRRYWR 0.84
81 FPPIWSRYWY 0.84
82 FPIIPSRYWK 0.84
83 FPIIKSRHWK 0.85
84 FPPIPRRYWK 0.85
85 FPPIKRRHWK 0.85
86 FPPIPGRYFY 0.85
87 FPPIWGRYFR 0.85
88 FPPIWGRHFK 0.86
89 FPPIKGRHFY 0.86
90 FPPIPRRHFR 0.87
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FPPIKGRHWR

6.63

-6.85

-0.22
2 FPPIPGRHFR

6.06

-6.05

0.01
3 FPPIPGRYWR

6.35

-6.11

0.24
4 FPPIPGRHWR

6.69

-6.41

0.28
5 FPIIPGRHWR

6.97

-6.22

0.75
6 FPPIWGRHWK

6.9

-6.13

0.77
7 FPPIWGRHWY

6.75

-5.85

0.9
8 FPIIPGRHWK

6.33

-5.32

1.01
9 FPPIKGRYWR

6.71

-5.58

1.13
10 FPIIKGRHWR

7.34

-6.19

1.15
11 FPPIPGRYWK

6.15

-4.94

1.21
12 FPPIKGRHWK

6.17

-4.94

1.23
13 FPIIPGRYWR

5.82

-4.58

1.24
14 FPPIWGRHWR

7.13

-5.84

1.29
15 FPPIPGRHWK

7.32

-5.97

1.35
16 FPIIPSRHWR

7.93

-6.4

1.53
17 FPPIPSRHWR

8.5

-6.95

1.55
18 FPPIKGRHWY

7.24

-5.51

1.73
19 FPPIPGRHWY

6.12

-4.39

1.73
20 FPPIWSRHWR

7.73

-5.84

1.89
21 FPIIPGRHWY

6.12

-4.17

1.95
22 FPPIPSRHWY

8.15

-6.13

2.02
23 FPPIWGRYWR

6.37

-4.01

2.36
24 FPPIPSRYWR

9.82

-7.16

2.66
25 FPPIKSRHWR

8.46

-5.63

2.83
26 FPPIPSRHWK

8.18

-5.31

2.87
27 FPPIPGRYWY

6.03

-3.03

3.0
28 FPPIPRRHWR

9.89

-6.8

3.09
29 FPPIKSRYWR

7.91

-4.27

3.64
30 FPPIPSRYWK

8.22

-4.21

4.01

 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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