Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_G2B-ABO-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    

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Intraclash 1.416 ΔGbinding -0.970
TOTAL
 0.446
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.148
Van der Waals -1.801 Backbone clash 0.122
Electrostatics 0.086 Helix dipole 0.000
Solvation Polar 2.082 Water bridges 0.044
Solvation Hyd -2.550 Disulfide 0.000
VdW clashes 0.278 Electrost. Kon 0.047
Entropy sc 0.256 Part.cov.bonds 0.000
Entropy mc

1.714

 ΔGstability

51.181
       

Predicted ligand sequences for model [BZZ1-D2_G2B-ABO-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-D2_G2B-ABO-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 ERIIGRPTMH 0.0
2 ERFIGRPTMH 0.03
3 ERQIGRPTMH 0.05
4 RRIIGRPTMH 0.23
5 ERILGRPTMH 0.24
6 RRFIGRPTMH 0.26
7 ERFLGRPTMH 0.27
8 ERQLGRPTMH 0.28
9 RRQIGRPTMH 0.28
10 ERIIHRPTMH 0.29
11 ERFIHRPTMH 0.33
12 ERQIHRPTMH 0.34
13 ERIIGRTTMH 0.35
14 ERFIGRTTMH 0.39
15 ERQIGRTTMH 0.4
16 KRIIGRPTMH 0.43
17 ERIIGRETMH 0.43
18 ERIIRRPTMH 0.44
19 KRFIGRPTMH 0.46
20 ERFIGRETMH 0.46
21 RRILGRPTMH 0.47
22 KRQIGRPTMH 0.47
23 ERQIGRETMH 0.47
24 ERFIRRPTMH 0.47
25 ERQIRRPTMH 0.48
26 RRFLGRPTMH 0.5
27 RRQLGRPTMH 0.52
28 RRIIHRPTMH 0.53
29 ERILHRPTMH 0.53
30 ERFLHRPTMH 0.56
31 RRFIHRPTMH 0.56
32 RRQIHRPTMH 0.57
33 ERQLHRPTMH 0.58
34 ERILGRTTMH 0.59
35 RRIIGRTTMH 0.59
36 ERFLGRTTMH 0.62
37 RRFIGRTTMH 0.62
38 RRQIGRTTMH 0.63
39 ERQLGRTTMH 0.64
40 ERIIHRTTMH 0.65
41 RRIIGRETMH 0.66
42 KRILGRPTMH 0.67
43 RRIIRRPTMH 0.67
44 ERILGRETMH 0.67
45 ERILRRPTMH 0.68
46 ERFIHRTTMH 0.68
47 RRFIGRETMH 0.69
48 ERQIHRTTMH 0.69
49 RRFIRRPTMH 0.7
50 ERFLGRETMH 0.7
51 KRFLGRPTMH 0.7
52 RRQIGRETMH 0.71
53 ERFLRRPTMH 0.71
54 ERQLGRETMH 0.71
55 KRQLGRPTMH 0.71
56 ERQLRRPTMH 0.72
57 KRIIHRPTMH 0.72
58 RRQIRRPTMH 0.72
59 ERIIHRETMH 0.72
60 KRFIHRPTMH 0.75
61 ERFIHRETMH 0.75
62 RRILHRPTMH 0.76
63 KRQIHRPTMH 0.77
64 ERQIHRETMH 0.77
65 KRIIGRTTMH 0.78
66 ERIIRRTTMH 0.79
67 RRFLHRPTMH 0.8
68 RRQLHRPTMH 0.81
69 KRFIGRTTMH 0.81
70 ERFIRRTTMH 0.82
71 RRILGRTTMH 0.82
72 KRQIGRTTMH 0.83
73 ERQIRRTTMH 0.84
74 KRIIGRETMH 0.86
75 RRFLGRTTMH 0.86
76 KRIIRRPTMH 0.87
77 RRQLGRTTMH 0.87
78 ERIIRRETMH 0.87
79 RRIIHRTTMH 0.88
80 ERILHRTTMH 0.89
81 KRFIGRETMH 0.89
82 KRFIRRPTMH 0.9
83 ERFIRRETMH 0.9
84 KRQIGRETMH 0.9
85 RRILGRETMH 0.9
86 RRILRRPTMH 0.91
87 ERQIRRETMH 0.91
88 KRQIRRPTMH 0.91
89 RRFIHRTTMH 0.91
90 ERFLHRTTMH 0.92
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRFLGRPTMH

3.88

-10.73

-6.85
2 RRQLGRPTMH

3.83

-10.47

-6.64
3 RRILGRPTMH

3.75

-10.18

-6.43
4 ERILGRPTMH

3.44

-9.51

-6.07
5 RRIIGRPTMH

4.07

-10.09

-6.02
6 RRQIGRPTMH

4.1

-10.0

-5.9
7 RRIIHRPTMH

4.67

-10.38

-5.71
8 ERQLGRPTMH

3.64

-9.34

-5.7
9 ERFLGRPTMH

3.8

-9.48

-5.68
10 RRFIGRPTMH

3.82

-9.47

-5.65
11 ERQIGRPTMH

3.97

-9.59

-5.62
12 ERIIGRETMH

4.02

-9.53

-5.51
13 ERIIGRPTMH

3.73

-9.15

-5.42
14 KRQIGRPTMH

4.23

-9.58

-5.35
15 ERFIGRTTMH

4.16

-9.27

-5.11
16 ERQIGRTTMH

3.94

-9.04

-5.1
17 KRFIGRPTMH

3.59

-8.6

-5.01
18 ERFIGRETMH

4.08

-9.0

-4.92
19 ERQIGRETMH

4.15

-9.05

-4.9
20 KRIIGRPTMH

3.94

-8.81

-4.87
21 ERFLHRPTMH

5.09

-9.84

-4.75
22 ERIIGRTTMH

3.91

-8.41

-4.5
23 ERFIHRPTMH

5.28

-9.43

-4.15
24 ERFIGRPTMH

3.92

-8.05

-4.13
25 ERQIHRPTMH

5.14

-9.17

-4.03
26 ERQIRRPTMH

5.53

-9.51

-3.98
27 ERIIHRPTMH

5.25

-9.21

-3.96
28 ERIIRRPTMH

5.43

-9.3

-3.87
29 ERILHRPTMH

4.85

-8.68

-3.83
30 ERFIRRPTMH

5.98

-8.96

-2.98

 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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