Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_G2B-ABO-19.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
poly-Ala
A
 A
A
A
A
G
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 3.069 ΔGbinding 1.041
TOTAL
 4.110
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.285
Van der Waals -5.318 Backbone clash 0.021
Electrostatics 0.931 Helix dipole 0.000
Solvation Polar 6.251 Water bridges 0.004
Solvation Hyd -7.351 Disulfide 0.000
VdW clashes 1.626 Electrost. Kon 0.829
Entropy sc 0.951 Part.cov.bonds 0.000
Entropy mc

4.108

 ΔGstability

89.832
       

Predicted ligand sequences for model [BZZ1-D1_G2B-ABO-19.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-19.PDB  

(data)
# Predicted Sequences Value Calculate
1 FRTPRGRHR 0.0
2 FRTPRGRHK 0.12
3 FRTPRGRHM 0.23
4 FRTPMGRHR 0.31
5 FETPRGRHR 0.35
6 FRTERGRHR 0.41
7 FRTPMGRHK 0.43
8 FETPRGRHK 0.46
9 FRSPRGRHR 0.46
10 FRTERGRHK 0.53
11 FRTPMGRHM 0.55
12 FRTPRGRHI 0.55
13 FRSPRGRHK 0.57
14 FETPRGRHM 0.58
15 FNTPRGRHR 0.59
16 FRTERGRHM 0.65
17 FETPMGRHR 0.66
18 FRSPRGRHM 0.69
19 FNTPRGRHK 0.71
20 FRTEMGRHR 0.72
21 FETERGRHR 0.76
22 FRSPMGRHR 0.77
23 FETPMGRHK 0.78
24 FESPRGRHR 0.81
25 FNTPRGRHM 0.83
26 FRTEMGRHK 0.84
27 FRTPMGRHI 0.86
28 FRSERGRHR 0.87
29 FETERGRHK 0.88
30 FRSPMGRHK 0.89
31 FETPRGRHI 0.9
32 FETPMGRHM 0.9
33 FNTPMGRHR 0.91
34 FESPRGRHK 0.92
35 FRTEMGRHM 0.96
36 FRTERGRHI 0.96
37 FRSERGRHK 0.98
38 FETERGRHM 0.99
39 FNTERGRHR 1.01
40 FRSPMGRHM 1.01
41 FRSPRGRHI 1.01
42 FNTPMGRHK 1.02
43 FESPRGRHM 1.04
44 FNSPRGRHR 1.05
45 FETEMGRHR 1.07
46 FRSERGRHM 1.1
47 FNTERGRHK 1.12
48 FESPMGRHR 1.12
49 FNTPMGRHM 1.14
50 FNTPRGRHI 1.15
51 FNSPRGRHK 1.17
52 FRSEMGRHR 1.18
53 FETEMGRHK 1.19
54 FESERGRHR 1.22
55 FETPMGRHI 1.22
56 FNTERGRHM 1.24
57 FESPMGRHK 1.24
58 FRTEMGRHI 1.28
59 FNSPRGRHM 1.29
60 FRSEMGRHK 1.3
61 FETERGRHI 1.31
62 FETEMGRHM 1.31
63 FNTEMGRHR 1.32
64 FRSPMGRHI 1.32
65 FESERGRHK 1.33
66 FESPRGRHI 1.36
67 FESPMGRHM 1.36
68 FNSPMGRHR 1.37
69 FRSERGRHI 1.42
70 FRSEMGRHM 1.42
71 FNTEMGRHK 1.43
72 FESERGRHM 1.45
73 FNTPMGRHI 1.46
74 FNSERGRHR 1.47
75 FNSPMGRHK 1.48
76 FESEMGRHR 1.53
77 FNTEMGRHM 1.55
78 FNTERGRHI 1.56
79 FNSERGRHK 1.58
80 FNSPMGRHM 1.6
81 FNSPRGRHI 1.61
82 FETEMGRHI 1.63
83 FESEMGRHK 1.65
84 FESPMGRHI 1.67
85 FNSERGRHM 1.7
86 FRSEMGRHI 1.74
87 FESEMGRHM 1.77
88 FESERGRHI 1.77
89 FNSEMGRHR 1.78
90 FNTEMGRHI 1.87
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FETPRGRHM

3.32

-8.13

-4.81
2 FETPMGRHK

3.21

-7.7

-4.49
3 FETPMGRHR

4.13

-8.6

-4.47
4 FRTPRGRHM

3.12

-7.54

-4.42
5 FRTPMGRHR

4.27

-8.45

-4.18
6 FESPRGRHR

3.04

-7.22

-4.18
7 FNTPRGRHM

2.96

-7.08

-4.12
8 FRSPMGRHR

4.05

-8.03

-3.98
9 FETPRGRHK

3.08

-7.03

-3.95
10 FETPRGRHR

4.58

-8.45

-3.87
11 FRSPRGRHM

3.34

-7.16

-3.82
12 FETERGRHR

3.5

-7.2

-3.7
13 FRTPRGRHI

3.02

-6.69

-3.67
14 FNTPRGRHR

3.25

-6.64

-3.39
15 FRSPRGRHR

3.22

-6.6

-3.38
16 FRTPRGRHK

3.03

-6.39

-3.36
17 FETERGRHK

3.22

-6.57

-3.35
18 FRTPRGRHR

3.14

-6.41

-3.27
19 FNTPRGRHK

3.41

-6.59

-3.18
20 FRTPMGRHM

4.12

-7.27

-3.15
21 FRTEMGRHK

4.24

-7.37

-3.13
22 FRTPMGRHK

4.41

-7.52

-3.11
23 FRSPRGRHK

3.07

-6.08

-3.01
24 FRTPMGRHI

4.51

-7.2

-2.69
25 FRTERGRHR

3.52

-6.09

-2.57
26 FRSERGRHR

3.44

-5.97

-2.53
27 FRTERGRHM

3.1

-5.42

-2.32
28 FRSPMGRHK

4.07

-6.3

-2.23
29 FRTERGRHK

3.5

-5.67

-2.17
30 FRTEMGRHR

3.12

-4.52

-1.4

 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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