Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_2A28-21.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
 G
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    

(Help)

Intraclash 2.080 ΔGbinding 0.700
TOTAL
 2.780
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.142
Van der Waals -1.579 Backbone clash 0.107
Electrostatics 0.146 Helix dipole 0.000
Solvation Polar 1.955 Water bridges -0.061
Solvation Hyd -2.242 Disulfide 0.000
VdW clashes 1.105 Electrost. Kon 0.150
Entropy sc 0.358 Part.cov.bonds 0.000
Entropy mc

2.001

 ΔGstability

85.595
       

Predicted ligand sequences for model [BZZ1-D1_2A28-21.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_2A28-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 EWKMGRPEMH 0.0
2 EWKMDRPEMH 0.1
3 EWKIGRPEMH 0.17
4 EWKMGRPERH 0.26
5 EWKIDRPEMH 0.27
6 EWKMGRTEMH 0.35
7 EWKMDRPERH 0.37
8 EWKMGRPEMK 0.37
9 EWKMQRPEMH 0.38
10 EWKMGREEMH 0.39
11 EWKMGRPEKH 0.4
12 EWKIGRPERH 0.43
13 EWKMDRTEMH 0.46
14 EWKMDRPEMK 0.47
15 EWKMDREEMH 0.49
16 EWKMDRPEKH 0.5
17 EWKIGRTEMH 0.52
18 EWKIDRPERH 0.53
19 EWKIGRPEMK 0.54
20 EWKIQRPEMH 0.54
21 EWKIGREEMH 0.56
22 EWKIGRPEKH 0.57
23 EWKIDRTEMH 0.62
24 EWKMGRTERH 0.62
25 EWKMQRPERH 0.64
26 EWKIDRPEMK 0.64
27 EWKMGRPERK 0.64
28 EWKMGREERH 0.65
29 EWKIDREEMH 0.66
30 EWKIDRPEKH 0.67
31 EWKMDRTERH 0.72
32 EWKMGRTEMK 0.73
33 EWKMQRTEMH 0.73
34 EWKMDRPERK 0.74
35 EWKMQRPEMK 0.75
36 EWKMDREERH 0.76
37 EWKMGREEMK 0.76
38 EWKMGRTEKH 0.76
39 EWKMQREEMH 0.77
40 EWKMGRPEKK 0.77
41 EWKMQRPEKH 0.78
42 EWKMGREEKH 0.79
43 EWKIGRTERH 0.79
44 EWKIGRPERK 0.8
45 EWKIQRPERH 0.81
46 EWKIGREERH 0.82
47 EWKMDRTEMK 0.83
48 EWKMDRTEKH 0.86
49 EWKMDREEMK 0.86
50 EWKMDRPEKK 0.88
51 EWKMDREEKH 0.89
52 EWKIDRTERH 0.89
53 EWKIGRTEMK 0.89
54 EWKIQRTEMH 0.9
55 EWKIDRPERK 0.91
56 EWKIGRTEKH 0.92
57 EWKIDREERH 0.92
58 EWKIQRPEMK 0.92
59 EWKIQREEMH 0.93
60 EWKIGREEMK 0.93
61 EWKIQRPEKH 0.94
62 EWKIGRPEKK 0.94
63 EWKIGREEKH 0.96
64 EWKMGRTERK 0.99
65 EWKMQRTERH 1.0
66 EWKIDRTEMK 1.0
67 EWKMQRPERK 1.01
68 EWKIDRTEKH 1.02
69 EWKMQREERH 1.03
70 EWKMGREERK 1.03
71 EWKIDREEMK 1.03
72 EWKIDRPEKK 1.04
73 EWKIDREEKH 1.06
74 EWKMDRTERK 1.09
75 EWKMQRTEMK 1.1
76 EWKMDREERK 1.13
77 EWKMQRTEKH 1.13
78 EWKMGRTEKK 1.13
79 EWKMQREEMK 1.14
80 EWKMQRPEKK 1.15
81 EWKMGREEKK 1.16
82 EWKIGRTERK 1.16
83 EWKIQRTERH 1.16
84 EWKMQREEKH 1.17
85 EWKIQRPERK 1.18
86 EWKIGREERK 1.19
87 EWKIQREERH 1.2
88 EWKMDRTEKK 1.23
89 EWKIDRTERK 1.26
90 EWKIQRTEMK 1.27
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 EWKMGRTERH

4.71

-10.44

-5.73
2 EWKIGREEMH

4.06

-9.79

-5.73
3 EWKMGRPERH

4.71

-10.3

-5.59
4 EWKIGRPERH

5.37

-10.52

-5.15
5 EWKIGRTEMH

4.23

-9.34

-5.11
6 EWKIDRPERH

6.97

-11.64

-4.67
7 EWKIGRPEMH

4.8

-9.33

-4.53
8 EWKMDRPERH

6.31

-10.79

-4.48
9 EWKIDREEMH

6.07

-10.04

-3.97
10 EWKIQRPEMH

6.3

-10.17

-3.87
11 EWKMGREERH

4.89

-8.74

-3.85
12 EWKMGRPERK

4.85

-8.69

-3.84
13 EWKMGREEMH

4.64

-8.47

-3.83
14 EWKMGRTEMH

5.09

-8.79

-3.7
15 EWKIGRPEKH

5.26

-8.87

-3.61
16 EWKIDRPEMH

5.92

-9.48

-3.56
17 EWKMGRPEKH

5.97

-9.53

-3.56
18 EWKIGRPEMK

4.0

-7.46

-3.46
19 EWKMGRPEMH

4.24

-7.33

-3.09
20 EWKIDRTEMH

6.14

-8.94

-2.8
21 EWKMGRPEMK

4.51

-7.25

-2.74
22 EWKMQRPERH

7.83

-10.51

-2.68
23 EWKMDRPEMH

6.06

-8.68

-2.62
24 EWKIDRPEKH

6.48

-9.04

-2.56
25 EWKMQRPEMH

6.23

-8.47

-2.24
26 EWKMDREEMH

6.55

-8.31

-1.76
27 EWKIDRPEMK

6.02

-7.38

-1.36
28 EWKMDRTEMH

7.17

-8.34

-1.17
29 EWKMDRPEKH

7.61

-8.25

-0.64
30 EWKMDRPEMK

6.7

-6.73

-0.03

 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