Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_G2B-ABO-16.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 3.462 ΔGbinding 3.950
TOTAL
 7.412
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.541
Van der Waals -4.207 Backbone clash 0.241
Electrostatics 1.018 Helix dipole 0.000
Solvation Polar 4.983 Water bridges -0.061
Solvation Hyd -5.894 Disulfide 0.000
VdW clashes 4.236 Electrost. Kon 0.907
Entropy sc 0.603 Part.cov.bonds 0.000
Entropy mc

3.099

 ΔGstability

88.475
       

Predicted ligand sequences for model [BZZ1-D1_G2B-ABO-16.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-16.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPPIPSRRF 0.0
2 RPPIPSRRF 0.03
3 FPFIPSRRF 0.06
4 RPFIPSRRF 0.09
5 FPPIRSRRF 0.1
6 FPYIPSRRF 0.12
7 RPPIRSRRF 0.14
8 RPYIPSRRF 0.15
9 FPFIRSRRF 0.16
10 RPFIRSRRF 0.2
11 FPYIRSRRF 0.22
12 RPYIRSRRF 0.25
13 LPPIPSRRF 0.26
14 FPPIPGRRF 0.27
15 RPPIPGRRF 0.3
16 FPPIKSRRF 0.32
17 LPFIPSRRF 0.32
18 FPFIPGRRF 0.33
19 FPPMPSRRF 0.33
20 FLPIPSRRF 0.35
21 RPPIKSRRF 0.35
22 FPPIPSRRP 0.35
23 RPFIPGRRF 0.36
24 RPPMPSRRF 0.36
25 LPPIRSRRF 0.37
26 FPPIRGRRF 0.37
27 LPYIPSRRF 0.38
28 FPYIPGRRF 0.38
29 FPFMPSRRF 0.38
30 FPFIKSRRF 0.38
31 RPPIPSRRP 0.39
32 RLPIPSRRF 0.39
33 RPFIKSRRF 0.41
34 FLFIPSRRF 0.41
35 RPPIRGRRF 0.41
36 FPFIPSRRP 0.41
37 RPFMPSRRF 0.42
38 RPYIPGRRF 0.42
39 LPFIRSRRF 0.43
40 FPYIKSRRF 0.43
41 FPPMRSRRF 0.43
42 FPFIRGRRF 0.43
43 RLFIPSRRF 0.44
44 FPYMPSRRF 0.44
45 RPFIPSRRP 0.44
46 RPPMRSRRF 0.46
47 FPPIRSRRP 0.46
48 FLPIRSRRF 0.46
49 FLYIPSRRF 0.47
50 RPYMPSRRF 0.47
51 RPYIKSRRF 0.47
52 FPYIPSRRP 0.47
53 RPFIRGRRF 0.47
54 LPYIRSRRF 0.48
55 RLPIRSRRF 0.49
56 FPPIPSKRF 0.49
57 RPPIRSRRP 0.49
58 FPYIRGRRF 0.49
59 FPFMRSRRF 0.49
60 RLYIPSRRF 0.5
61 RPYIPSRRP 0.5
62 FPFIRSRRP 0.51
63 FLFIRSRRF 0.51
64 RPYIRGRRF 0.52
65 RPPIPSKRF 0.52
66 RPFMRSRRF 0.52
67 LPPIPGRRF 0.53
68 FPYMRSRRF 0.54
69 RPFIRSRRP 0.55
70 FPFIPSKRF 0.55
71 RLFIRSRRF 0.55
72 FPYIRSRRP 0.57
73 FLYIRSRRF 0.57
74 RPFIPSKRF 0.58
75 LPPIKSRRF 0.58
76 RPYMRSRRF 0.58
77 FPPMPGRRF 0.59
78 FPPIRSKRF 0.59
79 FPPIKGRRF 0.59
80 LPFIPGRRF 0.59
81 LPPMPSRRF 0.59
82 RLYIRSRRF 0.6
83 FPYIPSKRF 0.6
84 RPYIRSRRP 0.6
85 FLPIPGRRF 0.62
86 LPPIPSRRP 0.62
87 FPPIPGRRP 0.62
88 RPPIKGRRF 0.62
89 LLPIPSRRF 0.62
90 RPPIRSKRF 0.63
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FPFIPGRRF

2.2

-6.59

-4.39
2 FPYIPGRRF

3.24

-7.35

-4.11
3 RPPIRSRRF

5.52

-9.2

-3.68
4 FPPIRGRRF

3.96

-7.45

-3.49
5 RPFIRSRRF

3.66

-7.08

-3.42
6 LPPIRSRRF

5.02

-8.03

-3.01
7 FPYIRSRRF

3.76

-6.63

-2.87
8 RPPIPGRRF

3.42

-6.11

-2.69
9 FPFIRSRRF

4.26

-6.79

-2.53
10 FPPIPSRRF

5.45

-7.79

-2.34
11 RPYIPSRRF

5.51

-7.63

-2.12
12 RPFIPGRRF

2.93

-4.9

-1.97
13 LPYIPSRRF

4.32

-6.26

-1.94
14 FPYIPSRRF

5.44

-7.3

-1.86
15 FPFMPSRRF

5.61

-7.29

-1.68
16 FPFIPSRRF

6.52

-8.15

-1.63
17 FPPMPSRRF

5.7

-7.33

-1.63
18 RPPMPSRRF

5.43

-6.93

-1.5
19 LPPIPSRRF

4.83

-6.3

-1.47
20 FPPIPSRRP

6.6

-8.02

-1.42
21 FPPIPGRRF

4.94

-6.3

-1.36
22 FPPIKSRRF

5.51

-6.76

-1.25
23 FPFIKSRRF

4.83

-6.06

-1.23
24 RPPIKSRRF

4.55

-5.77

-1.22
25 FPPIRSRRF

5.66

-6.7

-1.04
26 RPPIPSRRF

5.32

-6.34

-1.02
27 RPYIRSRRF

5.39

-6.16

-0.77
28 LPFIPSRRF

5.94

-6.38

-0.44
29 FLPIPSRRF

5.68

-6.06

-0.38
30 RPFIPSRRF

6.85

-7.21

-0.36

 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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