Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_G2B-ABO-6.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    

(Help)

Intraclash 5.442 ΔGbinding 1.095
TOTAL
 6.537
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 1.234
Van der Waals -3.521 Backbone clash 0.002
Electrostatics 0.338 Helix dipole 0.000
Solvation Polar 3.736 Water bridges -0.021
Solvation Hyd -4.733 Disulfide 0.000
VdW clashes 1.642 Electrost. Kon 0.450
Entropy sc 0.290 Part.cov.bonds 0.000
Entropy mc

1.679

 ΔGstability

88.070
       

Predicted ligand sequences for model [BZZ1-D1_G2B-ABO-6.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_G2B-ABO-6.PDB  

(data)
# Predicted Sequences Value Calculate
1 DRRRCRRHPR 0.0
2 DRRRSRRHPR 0.02
3 DRRRCRRRPR 0.04
4 DRRRSRRRPR 0.07
5 DRRRCRRPPR 0.08
6 DRRRCPRHPR 0.09
7 DRRRSRRPPR 0.11
8 DRRRSPRHPR 0.11
9 DRRRCPRRPR 0.13
10 DRRRCRRHRR 0.14
11 DRRRSPRRPR 0.15
12 DRRRCWRHPR 0.17
13 DRRRSRRHRR 0.17
14 DRRRCPRPPR 0.17
15 DRRRCRRRRR 0.19
16 DRRRSPRPPR 0.19
17 DRRRSWRHPR 0.2
18 DRRRSRRRRR 0.21
19 DRRRCWRRPR 0.22
20 DRRRCRRPRR 0.22
21 DRRRCPRHRR 0.23
22 DRHRCRRHPR 0.23
23 DRRRSWRRPR 0.24
24 DRIRCRRHPR 0.25
25 DRRRSPRHRR 0.25
26 DRRRSRRPRR 0.25
27 DRRRCWRPPR 0.26
28 DRHRSRRHPR 0.26
29 DRRRCRRHMR 0.27
30 DRRRCPRRRR 0.27
31 DRRRSWRPPR 0.28
32 DRIRSRRHPR 0.28
33 DRHRCRRRPR 0.28
34 DRIRCRRRPR 0.29
35 DRRRNRRHPR 0.29
36 DRRRSRRHMR 0.29
37 DRHRSRRRPR 0.3
38 DRRRSPRRRR 0.3
39 DRHRCRRPPR 0.31
40 DRRRCPRPRR 0.31
41 DRRRCRRRMR 0.31
42 DRIRSRRRPR 0.32
43 DRRRCWRHRR 0.32
44 DRHRCPRHPR 0.32
45 DRRRNRRRPR 0.33
46 DRRRSPRPRR 0.33
47 DRIRCRRPPR 0.33
48 DRRRSWRHRR 0.34
49 DRHRSRRPPR 0.34
50 DRHRSPRHPR 0.34
51 DRRRSRRRMR 0.34
52 DRIRCPRHPR 0.34
53 DRRRCRRPMR 0.35
54 DRRRCPRHMR 0.35
55 DRIRSPRHPR 0.36
56 DRHRCPRRPR 0.36
57 DRIRSRRPPR 0.36
58 DRRRCWRRRR 0.36
59 DRHRCRRHRR 0.37
60 DRRRSRRPMR 0.37
61 DRRRNRRPPR 0.37
62 DRHRSPRRPR 0.38
63 DRIRCPRRPR 0.38
64 DRRRSWRRRR 0.38
65 DRRRSPRHMR 0.38
66 DRRRNPRHPR 0.38
67 DRIRCRRHRR 0.39
68 DRRRCWRPRR 0.4
69 DRHRSRRHRR 0.4
70 DRRRCPRRMR 0.4
71 DRHRCPRPPR 0.4
72 DRIRSPRRPR 0.4
73 DRHRCWRHPR 0.41
74 DRHRCRRRRR 0.42
75 DRRRSPRRMR 0.42
76 DRIRCPRPPR 0.42
77 DRRRNPRRPR 0.42
78 DRRRSWRPRR 0.42
79 DRHRSPRPPR 0.42
80 DRIRCWRHPR 0.42
81 DRIRSRRHRR 0.42
82 DRHRSWRHPR 0.43
83 DRRRCPRPMR 0.43
84 DRRRNRRHRR 0.43
85 DRHRSRRRRR 0.44
86 DRIRCRRRRR 0.44
87 DRRRCWRHMR 0.44
88 DRIRSPRPPR 0.44
89 DRRRCRRHPY 0.45
90 DRIRSWRHPR 0.45
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DRRRSRRHRR

3.68

-8.69

-5.01
2 DRRRSRRRRR

3.61

-8.56

-4.95
3 DRRRSRRPRR

3.47

-8.21

-4.74
4 DRRRSPRHRR

3.5

-7.99

-4.49
5 DRHRSRRHPR

3.45

-7.48

-4.03
6 DRRRSRRHPR

3.72

-7.26

-3.54
7 DRRRCRRRRR

3.09

-6.61

-3.52
8 DRRRSWRHPR

2.98

-6.38

-3.4
9 DRRRCRRHRR

3.98

-7.37

-3.39
10 DRRRCRRHMR

3.6

-6.85

-3.25
11 DRRRCPRRRR

3.73

-6.92

-3.19
12 DRRRCRRPRR

3.85

-7.0

-3.15
13 DRRRCPRHPR

3.59

-6.65

-3.06
14 DRRRSPRPPR

3.62

-6.56

-2.94
15 DRRRSPRRPR

3.02

-5.89

-2.87
16 DRRRSPRHPR

2.91

-5.66

-2.75
17 DRRRSWRRPR

2.95

-5.54

-2.59
18 DRRRCWRHPR

3.57

-6.11

-2.54
19 DRRRCPRHRR

3.0

-5.41

-2.41
20 DRRRSRRPPR

2.97

-5.26

-2.29
21 DRIRCRRHPR

2.79

-5.04

-2.25
22 DRRRCRRHPR

3.62

-5.83

-2.21
23 DRRRSRRRPR

3.09

-5.29

-2.2
24 DRRRCWRRPR

3.85

-6.05

-2.2
25 DRHRCRRHPR

3.07

-4.85

-1.78
26 DRRRCRRRPR

3.05

-4.74

-1.69
27 DRRRCPRRPR

2.64

-4.29

-1.65
28 DRRRCPRPPR

3.62

-4.58

-0.96
29 DRRRCWRPPR

3.41

-4.21

-0.8
30 DRRRCRRPPR

3.39

-3.47

-0.08

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER