Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_2A28-18.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 4.616 ΔGbinding 0.866
TOTAL
 5.482
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.671
Van der Waals -3.831 Backbone clash 1.431
Electrostatics 0.347 Helix dipole 0.000
Solvation Polar 4.590 Water bridges -0.035
Solvation Hyd -5.134 Disulfide 0.000
VdW clashes 1.855 Electrost. Kon 0.260
Entropy sc 0.926 Part.cov.bonds 0.000
Entropy mc

2.494

 ΔGstability

88.479
       

Predicted ligand sequences for model [BZZ1-D1_2A28-18.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_2A28-18.PDB  

(data)
# Predicted Sequences Value Calculate
1 FYPIPGRRWR 0.0
2 FPPIPGRRWR 0.18
3 FYPIPGRRWY 0.19
4 FYFIPGRRWR 0.21
5 FYPIKGRRWR 0.24
6 FYLIPGRRWR 0.26
7 FYPIDGRRWR 0.26
8 FYYIPGRRWR 0.27
9 FYPIHGRRWR 0.3
10 FPPIPGRRWY 0.38
11 FPFIPGRRWR 0.4
12 FYFIPGRRWY 0.4
13 FYPIPGRRWK 0.42
14 FPPIKGRRWR 0.42
15 FYPIKGRRWY 0.43
16 FPPIDGRRWR 0.44
17 FYLIPGRRWY 0.45
18 FYPIDGRRWY 0.45
19 FPLIPGRRWR 0.45
20 FPYIPGRRWR 0.45
21 FYFIKGRRWR 0.45
22 FYYIPGRRWY 0.46
23 FYFIDGRRWR 0.47
24 FFPIPGRRWR 0.48
25 FYPIHGRRWY 0.49
26 FPPIHGRRWR 0.49
27 FSPIPGRRWR 0.5
28 FYPIPGRRWF 0.5
29 FYLIKGRRWR 0.5
30 FYYIKGRRWR 0.51
31 FYFIHGRRWR 0.51
32 FYLIDGRRWR 0.52
33 FYYIDGRRWR 0.53
34 FYYIHGRRWR 0.57
35 FYLIHGRRWR 0.57
36 FPFIPGRRWY 0.59
37 FPPIPGRRWK 0.61
38 FPPIKGRRWY 0.61
39 FPPIDGRRWY 0.63
40 FPFIKGRRWR 0.63
41 FYFIPGRRWK 0.63
42 FPLIPGRRWY 0.64
43 FYFIKGRRWY 0.64
44 FPFIDGRRWR 0.65
45 FPYIPGRRWY 0.65
46 FYFIDGRRWY 0.66
47 FYPIKGRRWK 0.66
48 FFPIPGRRWY 0.67
49 FYPIDGRRWK 0.68
50 FPPIHGRRWY 0.68
51 FYLIPGRRWK 0.69
52 FFFIPGRRWR 0.69
53 FYYIPGRRWK 0.69
54 FYLIKGRRWY 0.69
55 FSPIPGRRWY 0.69
56 FPPIPGRRWF 0.69
57 FPYIKGRRWR 0.69
58 FPLIKGRRWR 0.69
59 FPFIHGRRWR 0.7
60 FYYIKGRRWY 0.7
61 FYFIHGRRWY 0.7
62 FPYIDGRRWR 0.71
63 FSFIPGRRWR 0.71
64 FYLIDGRRWY 0.71
65 FPLIDGRRWR 0.71
66 FYFIPGRRWF 0.71
67 FYYIDGRRWY 0.72
68 FFPIKGRRWR 0.72
69 FYPIHGRRWK 0.72
70 FSPIKGRRWR 0.74
71 FFPIDGRRWR 0.74
72 FYPIKGRRWF 0.74
73 FPLIHGRRWR 0.75
74 FFYIPGRRWR 0.75
75 FFLIPGRRWR 0.75
76 FYLIPGRRWF 0.76
77 FYPIDGRRWF 0.76
78 FYYIHGRRWY 0.76
79 FSLIPGRRWR 0.76
80 FPYIHGRRWR 0.76
81 FYLIHGRRWY 0.76
82 FSPIDGRRWR 0.76
83 FYYIPGRRWF 0.77
84 FSYIPGRRWR 0.77
85 FFPIHGRRWR 0.79
86 FSPIHGRRWR 0.8
87 FYPIHGRRWF 0.8
88 FPFIPGRRWK 0.82
89 FPFIKGRRWY 0.82
90 FPFIDGRRWY 0.84
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FYPIHGRRWR

3.46

-12.56

-9.1
2 FPPIHGRRWR

4.31

-12.97

-8.66
3 FPPIDGRRWR

4.08

-12.65

-8.57
4 FPYIPGRRWR

3.69

-11.8

-8.11
5 FYFIKGRRWR

3.91

-11.86

-7.95
6 FYFIPGRRWR

4.01

-11.89

-7.88
7 FPFIPGRRWR

2.98

-10.78

-7.8
8 FYPIPGRRWR

3.36

-11.15

-7.79
9 FPPIPGRRWR

4.08

-11.7

-7.62
10 FYPIPGRRWK

3.71

-11.25

-7.54
11 FYLIKGRRWR

3.55

-11.04

-7.49
12 FYLIPGRRWR

3.74

-11.11

-7.37
13 FPLIPGRRWR

3.57

-10.67

-7.1
14 FYYIPGRRWR

3.91

-10.94

-7.03
15 FYPIKGRRWR

4.35

-11.37

-7.02
16 FYYIKGRRWR

3.85

-10.86

-7.01
17 FYPIDGRRWR

3.57

-10.38

-6.81
18 FYFIDGRRWR

3.88

-10.66

-6.78
19 FPPIKGRRWR

4.57

-11.26

-6.69
20 FFPIPGRRWR

5.12

-11.8

-6.68
21 FYPIHGRRWY

4.46

-11.07

-6.61
22 FYPIPGRRWF

4.16

-10.64

-6.48
23 FYYIPGRRWY

3.89

-10.2

-6.31
24 FYPIDGRRWY

4.14

-10.29

-6.15
25 FSPIPGRRWR

3.96

-9.94

-5.98
26 FPPIPGRRWY

4.24

-9.62

-5.38
27 FYPIKGRRWY

3.77

-9.05

-5.28
28 FYLIPGRRWY

4.08

-8.9

-4.82
29 FYPIPGRRWY

4.79

-9.47

-4.68
30 FYFIPGRRWY

4.23

-8.9

-4.67

 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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