Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_G2B-ABO-18.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
A
 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 4.007 ΔGbinding 3.867
TOTAL
 7.874
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.993
Van der Waals -4.066 Backbone clash 1.341
Electrostatics 0.396 Helix dipole 0.000
Solvation Polar 4.309 Water bridges 0.000
Solvation Hyd -5.775 Disulfide 0.000
VdW clashes 5.512 Electrost. Kon 0.393
Entropy sc 0.587 Part.cov.bonds 0.000
Entropy mc

2.793

 ΔGstability

58.537
       

Predicted ligand sequences for model [BZZ1-D2_G2B-ABO-18.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-18.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPPLPSWRWK 0.0
2 RPPLPSWNWK 0.0
3 RPPLRSWRWK 0.01
4 RPPLRSWNWK 0.01
5 RPPLKSWNWK 0.02
6 RPPLKSWRWK 0.02
7 RFPLPSWRWK 0.03
8 RFPLPSWNWK 0.03
9 RFPLRSWRWK 0.04
10 RFPLRSWNWK 0.04
11 RFPLKSWNWK 0.06
12 RFPLKSWRWK 0.06
13 RPPLPGWRWK 0.16
14 RPFLPSWRWK 0.17
15 RPFLPSWNWK 0.17
16 RPPLRGWNWK 0.17
17 RPPLPGWNWK 0.17
18 RPPLPSWMWK 0.17
19 RPPLRGWRWK 0.17
20 RPPLRSWMWK 0.18
21 RPPIPSWNWK 0.18
22 RPPIPSWRWK 0.18
23 RPFLRSWNWK 0.18
24 RPFLRSWRWK 0.18
25 RPPIRSWNWK 0.19
26 RPFLKSWRWK 0.19
27 RPPIRSWRWK 0.19
28 RPFLKSWNWK 0.19
29 RPYLPSWRWK 0.19
30 RPYLPSWNWK 0.19
31 RPPLKGWNWK 0.19
32 RPPLKGWRWK 0.19
33 RPPIKSWNWK 0.2
34 RPPIKSWRWK 0.2
35 RPPLKSWMWK 0.2
36 RPYLRSWRWK 0.2
37 RFFLPSWNWK 0.2
38 RFFLPSWRWK 0.2
39 RFPLPGWNWK 0.2
40 RFPLPGWRWK 0.2
41 RPYLRSWNWK 0.2
42 RFPLPSWMWK 0.21
43 RFPIPSWNWK 0.21
44 RFPIPSWRWK 0.21
45 RFFLRSWNWK 0.21
46 RFFLRSWRWK 0.21
47 RFPLRGWNWK 0.21
48 RFPLRGWRWK 0.21
49 RPYLKSWRWK 0.21
50 RFFLKSWRWK 0.22
51 RFPLKGWRWK 0.22
52 RFPLRSWMWK 0.22
53 RPYLKSWNWK 0.22
54 RFPLKGWNWK 0.22
55 RFPIRSWNWK 0.22
56 RFPIRSWRWK 0.22
57 RFYLPSWRWK 0.23
58 RFFLKSWNWK 0.23
59 RFPIKSWRWK 0.23
60 RFYLPSWNWK 0.23
61 RFPIKSWNWK 0.23
62 RFPLKSWMWK 0.23
63 RFYLRSWRWK 0.24
64 RFYLRSWNWK 0.24
65 RPPLPRWNWK 0.24
66 RPPLPRWRWK 0.24
67 RFYLKSWRWK 0.25
68 RFYLKSWNWK 0.25
69 RPPLRRWNWK 0.25
70 RPPLRRWRWK 0.25
71 RPPLKRWRWK 0.27
72 RPPLKRWNWK 0.27
73 RFPLPRWRWK 0.28
74 RFPLPRWNWK 0.28
75 RFPLRRWNWK 0.29
76 RFPLRRWRWK 0.29
77 RFPLKRWNWK 0.3
78 RFPLKRWRWK 0.3
79 RPFLPGWRWK 0.33
80 RPFLPGWNWK 0.33
81 RPFLRGWNWK 0.34
82 RPFLRGWRWK 0.34
83 RPPIPGWRWK 0.34
84 RPFLPSWMWK 0.34
85 RPPIPGWNWK 0.34
86 RPPLPSWRWR 0.34
87 RPPLPSWNWR 0.34
88 RPPLPGWMWK 0.34
89 RPPLRSWRWR 0.35
90 RPFLRSWMWK 0.35
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPPLRGWNWK

3.02

-8.8

-5.78
2 RPPLRGWRWK

3.21

-7.83

-4.62
3 RPPLPGWRWK

3.95

-7.99

-4.04
4 RPPLPSWNWK

5.65

-9.5

-3.85
5 RPPLPGWNWK

3.76

-7.28

-3.52
6 RPPLKSWNWK

4.49

-7.78

-3.29
7 RFPLRSWRWK

5.56

-8.75

-3.19
8 RFPLRSWNWK

4.24

-6.96

-2.72
9 RPFLKSWRWK

5.96

-8.63

-2.67
10 RPPLPSWMWK

5.13

-7.64

-2.51
11 RPPLPSWRWK

5.19

-7.64

-2.45
12 RPPLRSWRWK

6.18

-8.47

-2.29
13 RPYLPSWRWK

5.46

-7.67

-2.21
14 RPPIPSWNWK

4.74

-6.94

-2.2
15 RPFLPSWRWK

4.93

-7.02

-2.09
16 RPPLRSWMWK

5.14

-7.21

-2.07
17 RPFLRSWNWK

5.04

-7.09

-2.05
18 RFPLKSWRWK

5.85

-7.81

-1.96
19 RFPLPSWNWK

4.81

-6.66

-1.85
20 RPPLRSWNWK

6.53

-8.18

-1.65
21 RFPLPSWRWK

5.92

-7.47

-1.55
22 RPPIRSWNWK

6.32

-7.82

-1.5
23 RPFLRSWRWK

5.78

-6.97

-1.19
24 RPFLKSWNWK

5.24

-6.34

-1.1
25 RPPLKSWRWK

4.77

-5.81

-1.04
26 RPPIRSWRWK

5.48

-6.49

-1.01
27 RPYLPSWNWK

6.24

-7.23

-0.99
28 RPPIPSWRWK

6.39

-6.88

-0.49
29 RFPLKSWNWK

5.21

-5.38

-0.17
30 RPFLPSWNWK

6.72

-6.65

0.07

 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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