Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_1ZUU-11.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7
poly-Ala
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 4.106 ΔGbinding 3.731
TOTAL
 7.837
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.853
Van der Waals -3.837 Backbone clash 2.204
Electrostatics 0.269 Helix dipole 0.000
Solvation Polar 4.428 Water bridges 0.007
Solvation Hyd -4.904 Disulfide 0.000
VdW clashes 4.441 Electrost. Kon 0.305
Entropy sc 0.583 Part.cov.bonds 0.000
Entropy mc

2.862

 ΔGstability

40.663
       

Predicted ligand sequences for model [BZZ1-D2_1ZUU-11.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-11.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPPMRRR 0.0
2 FPPMRRR 0.05
3 RPPMPRR 0.17
4 FPPMPRR 0.22
5 RPRMRRR 0.22
6 RPEMRRR 0.23
7 RPDMRRR 0.25
8 RKPMRRR 0.26
9 FPRMRRR 0.27
10 FPEMRRR 0.28
11 FPDMRRR 0.29
12 FKPMRRR 0.3
13 RPRMPRR 0.39
14 RPEMPRR 0.4
15 RRPMRRR 0.41
16 RPDMPRR 0.42
17 RKPMPRR 0.43
18 FPRMPRR 0.44
19 FPEMPRR 0.45
20 RWPMRRR 0.45
21 FPDMPRR 0.46
22 FRPMRRR 0.46
23 FKPMPRR 0.47
24 RPPRRRR 0.48
25 RKRMRRR 0.48
26 RKEMRRR 0.49
27 FWPMRRR 0.49
28 RKDMRRR 0.5
29 FKRMRRR 0.53
30 FPPRRRR 0.53
31 FKEMRRR 0.54
32 FKDMRRR 0.55
33 RRPMPRR 0.58
34 RWPMPRR 0.62
35 FRPMPRR 0.63
36 RRRMRRR 0.64
37 RPPRPRR 0.65
38 RREMRRR 0.65
39 RKRMPRR 0.65
40 RKEMPRR 0.66
41 RRDMRRR 0.66
42 FWPMPRR 0.66
43 RKDMPRR 0.67
44 RWRMRRR 0.67
45 RWEMRRR 0.68
46 FRRMRRR 0.69
47 RWDMRRR 0.69
48 FREMRRR 0.69
49 FKRMPRR 0.7
50 FPPRPRR 0.7
51 FRDMRRR 0.71
52 RPRRRRR 0.71
53 FKEMPRR 0.71
54 RPERRRR 0.71
55 FWRMRRR 0.72
56 FKDMPRR 0.72
57 FWEMRRR 0.73
58 RPDRRRR 0.73
59 RKPRRRR 0.74
60 FWDMRRR 0.74
61 FPRRRRR 0.75
62 FPERRRR 0.76
63 FPDRRRR 0.78
64 FKPRRRR 0.79
65 RRRMPRR 0.81
66 RREMPRR 0.82
67 RRDMPRR 0.83
68 RWRMPRR 0.84
69 FRRMPRR 0.85
70 RWEMPRR 0.85
71 FREMPRR 0.86
72 RWDMPRR 0.86
73 FRDMPRR 0.88
74 RPRRPRR 0.88
75 RPERPRR 0.88
76 FWRMPRR 0.89
77 RRPRRRR 0.9
78 FWEMPRR 0.9
79 RPDRPRR 0.9
80 RKPRPRR 0.91
81 FWDMPRR 0.91
82 FPRRPRR 0.92
83 FPERPRR 0.93
84 RWPRRRR 0.93
85 FRPRRRR 0.94
86 FPDRPRR 0.95
87 RKRRRRR 0.96
88 FKPRPRR 0.96
89 RKERRRR 0.97
90 RKDRRRR 0.98
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPPMPRR

5.32

-4.63

0.69
2 RPRMPRR

5.65

-4.73

0.92
3 RPEMPRR

5.56

-4.43

1.13
4 RPPMRRR

4.29

-2.73

1.56
5 RPDMPRR

5.92

-4.26

1.66
6 FPPMPRR

5.56

-3.89

1.67
7 FPRMPRR

4.94

-3.01

1.93
8 FPEMPRR

5.3

-3.33

1.97
9 FPDMRRR

5.18

-3.08

2.1
10 FKPMPRR

5.54

-3.4

2.14
11 FPDMPRR

5.47

-2.98

2.49
12 FPPMRRR

5.02

-2.48

2.54
13 RPEMRRR

5.45

-2.58

2.87
14 FPRMRRR

5.4

-2.49

2.91
15 RRPMRRR

4.78

-1.77

3.01
16 RPPRRRR

5.26

-2.14

3.12
17 FPEMRRR

5.03

-1.85

3.18
18 RKPMRRR

5.59

-2.38

3.21
19 RPDMRRR

6.73

-3.32

3.41
20 FPPRRRR

5.67

-2.24

3.43
21 RPRMRRR

6.49

-3.05

3.44
22 FWPMRRR

5.57

-2.04

3.53
23 RKRMRRR

6.15

-2.48

3.67
24 RWPMRRR

5.8

-2.05

3.75
25 RKPMPRR

5.44

-1.55

3.89
26 FKPMRRR

5.42

-1.52

3.9
27 FRPMRRR

5.9

-1.44

4.46
28 RKDMRRR

6.07

-1.34

4.73
29 RKEMRRR

5.68

-0.89

4.79
30 FKRMRRR

5.89

-0.61

5.28

 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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