Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_2A28-29.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
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 3.782 ΔGbinding 0.487
TOTAL
 4.269
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.361
Van der Waals -3.689 Backbone clash 0.058
Electrostatics 0.149 Helix dipole 0.000
Solvation Polar 3.782 Water bridges -0.079
Solvation Hyd -5.015 Disulfide 0.000
VdW clashes 2.739 Electrost. Kon 0.141
Entropy sc 0.365 Part.cov.bonds 0.000
Entropy mc

1.732

 ΔGstability

82.939
       

Predicted ligand sequences for model [BZZ1-D1_2A28-29.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_2A28-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 DFFPIPPHRK 0.0
2 DFKPIPPHRK 0.01
3 DFFPIPRHRK 0.06
4 DFPPIPPHRK 0.06
5 DFKPIPRHRK 0.07
6 EFFPIPPHRK 0.08
7 EFKPIPPHRK 0.09
8 DFFWIPPHRK 0.09
9 DFKWIPPHRK 0.1
10 DFPPIPRHRK 0.11
11 DFFFIPPHRK 0.12
12 KFFPIPPHRK 0.13
13 DFKFIPPHRK 0.13
14 EFFPIPRHRK 0.14
15 EFPPIPPHRK 0.14
16 KFKPIPPHRK 0.14
17 DFFWIPRHRK 0.15
18 EFKPIPRHRK 0.15
19 DFPWIPPHRK 0.15
20 DFKWIPRHRK 0.16
21 DFFFIPRHRK 0.17
22 DFPFIPPHRK 0.17
23 DFFPIRPHRK 0.17
24 EFFWIPPHRK 0.17
25 KFFPIPRHRK 0.18
26 EFKWIPPHRK 0.18
27 DFKPIRPHRK 0.18
28 DFFPMPPHRK 0.18
29 DFKFIPRHRK 0.18
30 DFFPIPHHRK 0.18
31 KFPPIPPHRK 0.19
32 KFKPIPRHRK 0.19
33 DFKPMPPHRK 0.19
34 DFKPIPHHRK 0.2
35 EFPPIPRHRK 0.2
36 EFFFIPPHRK 0.2
37 EFKFIPPHRK 0.21
38 DFPWIPRHRK 0.21
39 KFFWIPPHRK 0.22
40 DFPPIRPHRK 0.23
41 KFKWIPPHRK 0.23
42 EFFWIPRHRK 0.23
43 DFFPIRRHRK 0.23
44 EFPWIPPHRK 0.23
45 DFPFIPRHRK 0.23
46 DFFPMPRHRK 0.24
47 KFPPIPRHRK 0.24
48 DFKPIRRHRK 0.24
49 DFPPMPPHRK 0.24
50 KFFFIPPHRK 0.24
51 DFPPIPHHRK 0.24
52 EFKWIPRHRK 0.24
53 DFKPMPRHRK 0.25
54 EFFFIPRHRK 0.25
55 KFKFIPPHRK 0.25
56 EFPFIPPHRK 0.25
57 EFFPIRPHRK 0.25
58 EFKFIPRHRK 0.26
59 EFKPIRPHRK 0.26
60 EFFPMPPHRK 0.26
61 EFFPIPHHRK 0.27
62 DFFWIRPHRK 0.27
63 EFKPMPPHRK 0.27
64 DFKWIRPHRK 0.28
65 DFFWMPPHRK 0.28
66 KFFWIPRHRK 0.28
67 KFPWIPPHRK 0.28
68 EFKPIPHHRK 0.28
69 DLFPIPPHRK 0.28
70 DFFWIPHHRK 0.28
71 DFKWIPHHRK 0.29
72 DFFFIRPHRK 0.29
73 EFPWIPRHRK 0.29
74 DFKWMPPHRK 0.29
75 DFPPIRRHRK 0.29
76 DLKPIPPHRK 0.29
77 KFKWIPRHRK 0.29
78 KFFFIPRHRK 0.3
79 DFFFIPHHRK 0.3
80 DFPPMPRHRK 0.3
81 KFFPIRPHRK 0.3
82 DFKFIRPHRK 0.3
83 DFFFMPPHRK 0.3
84 KFPFIPPHRK 0.3
85 KFKPIRPHRK 0.31
86 KFKFIPRHRK 0.31
87 KFFPIPHHRK 0.31
88 EFPPIRPHRK 0.31
89 DFFPIPPHRH 0.31
90 DFKFMPPHRK 0.31
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 DFPFIPPHRK

3.3

-11.96

-8.66
2 DFPWIPPHRK

3.24

-11.49

-8.25
3 EFPPIPPHRK

4.09

-12.2

-8.11
4 KFFPIPPHRK

3.24

-11.31

-8.07
5 DFPPIPPHRK

4.27

-12.33

-8.06
6 EFFPIPRHRK

4.1

-12.0

-7.9
7 DFKWIPPHRK

3.85

-11.73

-7.88
8 DFKPIPPHRK

3.73

-11.42

-7.69
9 DFPPIPRHRK

3.67

-11.19

-7.52
10 DFFPIPPHRK

3.33

-10.83

-7.5
11 EFKWIPPHRK

3.48

-10.97

-7.49
12 EFFWIPPHRK

4.28

-11.59

-7.31
13 EFKPIPPHRK

3.81

-10.94

-7.13
14 EFFPIPPHRK

3.56

-10.49

-6.93
15 DFFWIPPHRK

5.2

-11.98

-6.78
16 DFKWIPRHRK

3.57

-10.29

-6.72
17 EFKPIPRHRK

3.64

-10.09

-6.45
18 DFFFIPRHRK

5.06

-11.41

-6.35
19 DFFWIPRHRK

4.38

-10.66

-6.28
20 DFKFIPPHRK

4.31

-10.55

-6.24
21 DFKPIPRHRK

4.97

-11.2

-6.23
22 DFFPIPRHRK

5.11

-11.32

-6.21
23 DFFFIPPHRK

3.96

-10.11

-6.15
24 DFFPMPPHRK

3.8

-9.81

-6.01
25 DFFPIPHHRK

3.97

-9.82

-5.85
26 DFFPIRPHRK

4.97

-10.77

-5.8
27 KFFPIPRHRK

4.56

-10.27

-5.71
28 KFKPIPPHRK

3.7

-9.09

-5.39
29 DFKFIPRHRK

4.03

-8.52

-4.49
30 DFKPIRPHRK

3.97

-7.32

-3.35

 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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