Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_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 9.217 ΔGbinding 3.872
TOTAL
 13.089
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.322
Van der Waals -4.928 Backbone clash 0.108
Electrostatics 0.436 Helix dipole 0.000
Solvation Polar 5.909 Water bridges 0.008
Solvation Hyd -6.456 Disulfide 0.000
VdW clashes 6.431 Electrost. Kon 0.383
Entropy sc 1.094 Part.cov.bonds 0.000
Entropy mc

3.222

 ΔGstability

47.270
       

Predicted ligand sequences for model [BZZ1-D2_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-D2_1ZUU-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 RWFKRGRRR 0.0
2 RPFKRGRRR 0.03
3 RWPKRGRRR 0.1
4 RWWKRGRRR 0.12
5 RPPKRGRRR 0.13
6 FWFKRGRRR 0.14
7 RWYKRGRRR 0.15
8 RPWKRGRRR 0.15
9 FPFKRGRRR 0.17
10 RPYKRGRRR 0.18
11 RMFKRGRRR 0.2
12 HWFKRGRRR 0.22
13 FWPKRGRRR 0.24
14 FWWKRGRRR 0.26
15 HPFKRGRRR 0.26
16 FPPKRGRRR 0.27
17 FPWKRGRRR 0.29
18 FWYKRGRRR 0.29
19 RMPKRGRRR 0.3
20 RMWKRGRRR 0.32
21 HWPKRGRRR 0.32
22 FPYKRGRRR 0.32
23 FMFKRGRRR 0.34
24 HWWKRGRRR 0.34
25 RMYKRGRRR 0.35
26 HPPKRGRRR 0.35
27 HWYKRGRRR 0.37
28 RRFKRGRRR 0.37
29 HPWKRGRRR 0.37
30 HPYKRGRRR 0.41
31 RWFKRGLRR 0.42
32 HMFKRGRRR 0.43
33 FMPKRGRRR 0.44
34 RPFKRGLRR 0.46
35 KWFKRGRRR 0.46
36 FMWKRGRRR 0.46
37 RRPKRGRRR 0.47
38 KPFKRGRRR 0.49
39 RRWKRGRRR 0.49
40 FMYKRGRRR 0.49
41 FRFKRGRRR 0.51
42 RWPKRGLRR 0.52
43 RRYKRGRRR 0.52
44 HMPKRGRRR 0.52
45 RWWKRGLRR 0.54
46 HMWKRGRRR 0.54
47 RPPKRGLRR 0.55
48 KWPKRGRRR 0.55
49 KWWKRGRRR 0.57
50 RPWKRGLRR 0.57
51 FWFKRGLRR 0.57
52 RWYKRGLRR 0.57
53 KPPKRGRRR 0.58
54 HMYKRGRRR 0.58
55 HRFKRGRRR 0.59
56 KPWKRGRRR 0.6
57 FPFKRGLRR 0.6
58 KWYKRGRRR 0.6
59 RPYKRGLRR 0.61
60 FRPKRGRRR 0.61
61 RMFKRGLRR 0.63
62 FRWKRGRRR 0.63
63 KPYKRGRRR 0.64
64 HWFKRGLRR 0.65
65 FWPKRGLRR 0.66
66 KMFKRGRRR 0.66
67 FRYKRGRRR 0.66
68 FWWKRGLRR 0.68
69 HPFKRGLRR 0.68
70 HRPKRGRRR 0.69
71 FPPKRGLRR 0.69
72 HRWKRGRRR 0.71
73 FPWKRGLRR 0.71
74 FWYKRGLRR 0.72
75 RMPKRGLRR 0.72
76 HRYKRGRRR 0.74
77 RMWKRGLRR 0.74
78 HWPKRGLRR 0.74
79 FPYKRGLRR 0.75
80 KMPKRGRRR 0.75
81 HWWKRGLRR 0.77
82 FMFKRGLRR 0.77
83 HPPKRGLRR 0.78
84 KMWKRGRRR 0.78
85 RMYKRGLRR 0.78
86 HWYKRGLRR 0.8
87 RRFKRGLRR 0.8
88 HPWKRGLRR 0.8
89 KMYKRGRRR 0.81
90 KRFKRGRRR 0.83
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RWYKRGRRR

6.67

-7.51

-0.84
2 RPYKRGRRR

7.08

-7.35

-0.27
3 FPPKRGRRR

7.66

-7.46

0.2
4 HPWKRGRRR

5.95

-5.58

0.37
5 RMWKRGRRR

6.96

-6.58

0.38
6 RPPKRGRRR

8.23

-7.72

0.51
7 RMYKRGRRR

7.61

-7.09

0.52
8 FPWKRGRRR

6.88

-6.29

0.59
9 HWFKRGRRR

5.94

-5.34

0.6
10 HWPKRGRRR

6.85

-6.15

0.7
11 FPFKRGRRR

5.39

-4.59

0.8
12 RPWKRGRRR

6.65

-5.83

0.82
13 RWPKRGRRR

7.72

-6.89

0.83
14 FPYKRGRRR

8.05

-7.15

0.9
15 FWWKRGRRR

6.25

-5.26

0.99
16 HWWKRGRRR

7.19

-6.18

1.01
17 FWFKRGRRR

6.7

-5.68

1.02
18 RWFKRGRRR

7.75

-6.72

1.03
19 HPPKRGRRR

7.15

-6.11

1.04
20 FMFKRGRRR

6.66

-5.59

1.07
21 RMFKRGRRR

7.28

-5.97

1.31
22 HPYKRGRRR

6.56

-5.17

1.39
23 RRFKRGRRR

7.41

-5.98

1.43
24 RMPKRGRRR

8.44

-6.32

2.12
25 RWWKRGRRR

7.76

-5.62

2.14
26 RPFKRGRRR

7.02

-4.78

2.24
27 HWYKRGRRR

7.26

-4.91

2.35
28 FWPKRGRRR

7.42

-5.04

2.38
29 HPFKRGRRR

7.24

-4.77

2.47
30 FWYKRGRRR

8.09

-4.48

3.61

 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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