Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_2A28-20.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 3.624 ΔGbinding -1.733
TOTAL
 1.891
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.068
Van der Waals -4.466 Backbone clash 0.185
Electrostatics 0.510 Helix dipole 0.000
Solvation Polar 4.993 Water bridges -0.111
Solvation Hyd -6.127 Disulfide 0.000
VdW clashes 1.893 Electrost. Kon 0.486
Entropy sc 0.809 Part.cov.bonds 0.000
Entropy mc

2.762

 ΔGstability

82.655
       

Predicted ligand sequences for model [BZZ1-D1_2A28-20.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_2A28-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPPKRGRKR 0.0
2 FPPKRGRHR 0.16
3 FPRKRGRKR 0.25
4 FPVKRGRKR 0.26
5 FPPVRGRKR 0.26
6 FPPTRGRKR 0.3
7 FRPKRGRKR 0.33
8 RPPKRGRKR 0.34
9 FPPKRGRKK 0.39
10 FPRKRGRHR 0.41
11 FPVKRGRHR 0.42
12 FPPVRGRHR 0.43
13 FPPTRGRHR 0.46
14 MPPKRGRKR 0.47
15 FPPKRGRRR 0.48
16 FRPKRGRHR 0.49
17 RPPKRGRHR 0.51
18 FPRVRGRKR 0.51
19 FPVVRGRKR 0.52
20 FPPKRGRHK 0.55
21 FPRTRGRKR 0.55
22 FPVTRGRKR 0.56
23 FRRKRGRKR 0.58
24 RPRKRGRKR 0.59
25 FRVKRGRKR 0.59
26 FRPVRGRKR 0.59
27 RPVKRGRKR 0.6
28 RPPVRGRKR 0.61
29 FRPTRGRKR 0.63
30 MPPKRGRHR 0.64
31 FPRKRGRKK 0.64
32 FPVKRGRKK 0.65
33 RPPTRGRKR 0.65
34 FPPVRGRKK 0.65
35 RRPKRGRKR 0.67
36 FPRVRGRHR 0.68
37 FPVVRGRHR 0.69
38 FPPTRGRKK 0.69
39 FPRTRGRHR 0.71
40 FRPKRGRKK 0.71
41 FPVTRGRHR 0.72
42 MPRKRGRKR 0.72
43 MPVKRGRKR 0.73
44 RPPKRGRKK 0.73
45 FPRKRGRRR 0.73
46 FPVKRGRRR 0.74
47 FRRKRGRHR 0.74
48 MPPVRGRKR 0.74
49 FPPVRGRRR 0.75
50 FRVKRGRHR 0.75
51 FRPVRGRHR 0.75
52 RPRKRGRHR 0.76
53 MPPTRGRKR 0.77
54 RPVKRGRHR 0.77
55 RPPVRGRHR 0.77
56 FPPTRGRRR 0.78
57 FRPTRGRHR 0.79
58 MRPKRGRKR 0.8
59 FPRKRGRHK 0.8
60 RPPTRGRHR 0.81
61 FPPVRGRHK 0.81
62 FRPKRGRRR 0.81
63 FPVKRGRHK 0.81
64 RPPKRGRRR 0.83
65 RRPKRGRHR 0.83
66 FRRVRGRKR 0.84
67 FPPTRGRHK 0.85
68 FRVVRGRKR 0.85
69 RPRVRGRKR 0.86
70 MPPKRGRKK 0.86
71 FPPKRGRRK 0.87
72 RPVVRGRKR 0.87
73 FRRTRGRKR 0.88
74 FRPKRGRHK 0.88
75 FRVTRGRKR 0.89
76 MPRKRGRHR 0.89
77 RPRTRGRKR 0.89
78 FPRVRGRKK 0.9
79 MPVKRGRHR 0.9
80 MPPVRGRHR 0.9
81 RPPKRGRHK 0.9
82 RPVTRGRKR 0.9
83 FPVVRGRKK 0.91
84 RRRKRGRKR 0.92
85 RRVKRGRKR 0.93
86 MPPTRGRHR 0.94
87 RRPVRGRKR 0.94
88 FPRTRGRKK 0.94
89 FPVTRGRKK 0.95
90 FRRKRGRKK 0.96
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FPPKRGRKR

5.78

-11.37

-5.59
2 FPPKRGRRR

5.65

-11.19

-5.54
3 FPRVRGRKR

5.48

-10.64

-5.16
4 FRPTRGRKR

5.37

-10.3

-4.93
5 FPPVRGRKR

5.3

-10.11

-4.81
6 FPPVRGRHR

5.96

-10.49

-4.53
7 FPPKRGRKK

5.42

-9.95

-4.53
8 FPRKRGRKR

5.38

-9.74

-4.36
9 FPPTRGRKR

5.38

-9.61

-4.23
10 FPVKRGRHR

4.85

-8.75

-3.9
11 FPRKRGRHR

5.02

-8.89

-3.87
12 FPRTRGRKR

5.16

-8.92

-3.76
13 RPPVRGRKR

5.8

-9.55

-3.75
14 FRPVRGRKR

5.85

-9.6

-3.75
15 RPPKRGRKR

5.81

-9.47

-3.66
16 FRRKRGRKR

5.57

-9.21

-3.64
17 RPRKRGRKR

5.87

-9.47

-3.6
18 FPVTRGRKR

5.77

-9.36

-3.59
19 FPPTRGRHR

5.32

-8.9

-3.58
20 RPPKRGRHR

5.66

-9.22

-3.56
21 FPPKRGRHK

6.0

-9.49

-3.49
22 MPPKRGRKR

5.88

-9.34

-3.46
23 MPPKRGRHR

5.55

-8.91

-3.36
24 FPVKRGRKR

5.32

-8.68

-3.36
25 FRPKRGRHR

4.9

-8.17

-3.27
26 FPVVRGRKR

6.22

-9.44

-3.22
27 RPVKRGRKR

5.4

-8.62

-3.22
28 FPPKRGRHR

4.74

-7.93

-3.19
29 FRVKRGRKR

6.27

-8.6

-2.33
30 FRPKRGRKR

5.43

-7.55

-2.12

 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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