Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_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    

(Help)

Intraclash 1.681 ΔGbinding -0.123
TOTAL
 1.558
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.152
Van der Waals -1.742 Backbone clash 0.083
Electrostatics 0.225 Helix dipole 0.000
Solvation Polar 2.211 Water bridges -0.022
Solvation Hyd -2.506 Disulfide 0.000
VdW clashes 0.292 Electrost. Kon 0.196
Entropy sc 0.378 Part.cov.bonds 0.000
Entropy mc

1.967

 ΔGstability

86.640
       

Predicted ligand sequences for model [BZZ1-D1_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-D1_G2B-ABO-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 ERIIGRPTMH 0.0
2 ERFIGRPTMH 0.03
3 ERQIGRPTMH 0.04
4 RRIIGRPTMH 0.15
5 RRFIGRPTMH 0.18
6 RRQIGRPTMH 0.19
7 ERIIGRTTMH 0.35
8 ERQIGRTTMH 0.39
9 ERFIGRTTMH 0.39
10 KRIIGRPTMH 0.41
11 KRFIGRPTMH 0.44
12 KRQIGRPTMH 0.44
13 ERIIGRETMH 0.45
14 ERIIHRPTMH 0.46
15 ERILGRPTMH 0.46
16 ERQIGRETMH 0.48
17 ERFIGRETMH 0.48
18 ERQIHRPTMH 0.49
19 ERFLGRPTMH 0.49
20 ERQLGRPTMH 0.49
21 ERFIHRPTMH 0.49
22 RRIIGRTTMH 0.51
23 RRQIGRTTMH 0.54
24 RRFIGRTTMH 0.54
25 RRIIGRETMH 0.6
26 RRILGRPTMH 0.61
27 RRIIHRPTMH 0.61
28 RRFIGRETMH 0.63
29 RRQIGRETMH 0.64
30 RRFLGRPTMH 0.64
31 RRFIHRPTMH 0.64
32 RRQLGRPTMH 0.65
33 RRQIHRPTMH 0.65
34 KRIIGRTTMH 0.76
35 KRFIGRTTMH 0.79
36 KRQIGRTTMH 0.8
37 ERILGRTTMH 0.81
38 ERIIHRTTMH 0.81
39 ERFLGRTTMH 0.84
40 ERFIHRTTMH 0.84
41 ERQLGRTTMH 0.85
42 ERQIHRTTMH 0.85
43 KRILGRPTMH 0.86
44 KRIIHRPTMH 0.86
45 KRIIGRETMH 0.86
46 KRFIHRPTMH 0.89
47 KRQIGRETMH 0.89
48 KRFIGRETMH 0.89
49 KRQIHRPTMH 0.9
50 ERIIHRETMH 0.9
51 KRFLGRPTMH 0.9
52 KRQLGRPTMH 0.9
53 ERILGRETMH 0.91
54 ERILHRPTMH 0.91
55 ERFIHRETMH 0.93
56 ERFLHRPTMH 0.94
57 ERFLGRETMH 0.94
58 ERQLGRETMH 0.94
59 ERQIHRETMH 0.94
60 ERQLHRPTMH 0.95
61 RRIIHRTTMH 0.96
62 RRILGRTTMH 0.97
63 RRFIHRTTMH 0.99
64 RRQLGRTTMH 1.0
65 RRQIHRTTMH 1.0
66 RRFLGRTTMH 1.0
67 RRIIHRETMH 1.06
68 RRILGRETMH 1.06
69 RRILHRPTMH 1.07
70 RRFLGRETMH 1.09
71 RRQIHRETMH 1.09
72 RRFIHRETMH 1.09
73 RRQLGRETMH 1.09
74 RRQLHRPTMH 1.1
75 RRFLHRPTMH 1.1
76 KRIIHRTTMH 1.22
77 KRILGRTTMH 1.22
78 KRQIHRTTMH 1.25
79 KRFLGRTTMH 1.25
80 KRFIHRTTMH 1.25
81 KRQLGRTTMH 1.26
82 ERILHRTTMH 1.27
83 ERQLHRTTMH 1.3
84 ERFLHRTTMH 1.3
85 KRIIHRETMH 1.31
86 KRILGRETMH 1.31
87 KRILHRPTMH 1.32
88 KRFLGRETMH 1.34
89 KRFIHRETMH 1.34
90 KRQLGRETMH 1.35
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRFLGRPTMH

3.1

-9.15

-6.05
2 RRILGRPTMH

3.02

-8.93

-5.91
3 RRFIGRPTMH

3.46

-9.18

-5.72
4 ERFLGRPTMH

3.03

-8.72

-5.69
5 RRQIGRPTMH

3.56

-9.18

-5.62
6 RRFIGRTTMH

3.32

-8.69

-5.37
7 KRQIGRPTMH

2.71

-8.05

-5.34
8 RRIIGRPTMH

3.44

-8.71

-5.27
9 RRQIGRTTMH

3.38

-8.64

-5.26
10 ERQIGRPTMH

3.42

-8.58

-5.16
11 RRFIGRETMH

3.29

-8.42

-5.13
12 ERFIGRPTMH

3.72

-8.67

-4.95
13 ERIIGRTTMH

2.94

-7.87

-4.93
14 ERILGRPTMH

2.96

-7.87

-4.91
15 ERIIGRETMH

3.35

-8.24

-4.89
16 ERQIGRETMH

3.27

-8.03

-4.76
17 RRIIGRETMH

3.17

-7.93

-4.76
18 ERIIGRPTMH

3.38

-8.09

-4.71
19 ERQIGRTTMH

3.39

-8.02

-4.63
20 ERFIGRETMH

3.4

-8.02

-4.62
21 RRIIGRTTMH

3.63

-8.23

-4.6
22 ERQLGRPTMH

3.05

-7.65

-4.6
23 RRQIGRETMH

3.46

-7.97

-4.51
24 KRIIGRPTMH

3.37

-7.85

-4.48
25 RRIIHRPTMH

4.88

-9.19

-4.31
26 KRFIGRPTMH

3.75

-7.92

-4.17
27 ERFIGRTTMH

3.53

-7.62

-4.09
28 ERIIHRPTMH

3.95

-7.95

-4.0
29 ERQIHRPTMH

3.96

-7.44

-3.48
30 ERFIHRPTMH

4.32

-7.79

-3.47

 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