Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_1ZUU-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 9.141 ΔGbinding 6.348
TOTAL
 15.489
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.443
Van der Waals -3.906 Backbone clash 0.204
Electrostatics 0.495 Helix dipole 0.000
Solvation Polar 5.267 Water bridges -0.064
Solvation Hyd -5.092 Disulfide 0.000
VdW clashes 6.094 Electrost. Kon 0.439
Entropy sc 0.999 Part.cov.bonds 0.000
Entropy mc

2.948

 ΔGstability

47.570
       

Predicted ligand sequences for model [BZZ1-D2_1ZUU-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-D2_1ZUU-16.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPPIPSHRN 0.0
2 FPPIPGHRN 0.05
3 FPPIPSIRN 0.11
4 FPPIKSHRN 0.15
5 FPPIPGIRN 0.16
6 FPPIKGHRN 0.2
7 FPFIPSHRN 0.2
8 FPPIWSHRN 0.22
9 FPRIPSHRN 0.24
10 FPFIPGHRN 0.25
11 FPPIKSIRN 0.26
12 FPPIWGHRN 0.27
13 FPRIPGHRN 0.29
14 FPPIPSVRN 0.3
15 FPPIKGIRN 0.31
16 FPFIPSIRN 0.32
17 FPPIWSIRN 0.33
18 FPPIPGVRN 0.34
19 FPPIPSHSN 0.35
20 FPRIPSIRN 0.35
21 FPFIKSHRN 0.35
22 FPFIPGIRN 0.36
23 FPPIPSHTN 0.37
24 FPPIWGIRN 0.38
25 FPRIKSHRN 0.39
26 FPPIPGHSN 0.4
27 RPPIPSHRN 0.4
28 FPFIKGHRN 0.4
29 FPRIPGIRN 0.4
30 FPFIWSHRN 0.42
31 FPPIPGHTN 0.42
32 FPRIKGHRN 0.43
33 FPPIKSVRN 0.44
34 FPRIWSHRN 0.45
35 RPPIPGHRN 0.45
36 FPFIKSIRN 0.46
37 FPPIPSHRA 0.47
38 FPPIPSISN 0.47
39 FPFIWGHRN 0.47
40 FPPIPSITN 0.48
41 FPPIKGVRN 0.49
42 FPFIPSVRN 0.5
43 FPRIKSIRN 0.5
44 FPPIKSHSN 0.5
45 FPRIWGHRN 0.5
46 FPPIWSVRN 0.51
47 FPFIKGIRN 0.51
48 RPPIPSIRN 0.51
49 FPPIPGHRA 0.52
50 FPPIPGISN 0.52
51 FPPIKSHTN 0.52
52 FPFIWSIRN 0.53
53 FPRIPSVRN 0.53
54 FPPIPGITN 0.53
55 FPRIKGIRN 0.55
56 FPPIKGHSN 0.55
57 RPPIKSHRN 0.55
58 FPFIPGVRN 0.55
59 FPFIPSHSN 0.56
60 RPPIPGIRN 0.56
61 FPPIWGVRN 0.56
62 FPRIWSIRN 0.56
63 FPPIKGHTN 0.57
64 FPFIPSHTN 0.57
65 FPPIWSHSN 0.57
66 FPFIWGIRN 0.58
67 FPRIPGVRN 0.58
68 FPPIPSIRA 0.58
69 FPPIWSHTN 0.59
70 FPRIPSHSN 0.59
71 RPPIKGHRN 0.6
72 FPPIKSHRA 0.61
73 FPRIPSHTN 0.61
74 FPPIKSISN 0.61
75 FPRIWGIRN 0.61
76 FPFIPGHSN 0.61
77 RPFIPSHRN 0.61
78 FPFIPGHTN 0.62
79 FPPIWGHSN 0.62
80 RPPIWSHRN 0.62
81 FPPIPGIRA 0.63
82 FPPIKSITN 0.63
83 RPRIPSHRN 0.64
84 FPPIWGHTN 0.64
85 FPRIPGHSN 0.64
86 FPFIKSVRN 0.65
87 FPPIPSVSN 0.65
88 FPPIKGHRA 0.66
89 RPFIPGHRN 0.66
90 RPPIKSIRN 0.66
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FPRIPGHRN

5.72

-4.87

0.85
2 FPPIWSIRN

6.98

-5.77

1.21
3 FPPIWGIRN

5.82

-4.51

1.31
4 FPPIKGHRN

6.01

-4.43

1.58
5 FPPIWGHRN

5.38

-3.75

1.63
6 FPPIPGHRN

5.64

-3.82

1.82
7 FPFIPSIRN

6.45

-4.61

1.84
8 FPPIPGVRN

5.36

-3.46

1.9
9 FPRIPSIRN

6.38

-4.41

1.97
10 FPPIWSHRN

6.54

-4.51

2.03
11 RPPIPSHRN

6.93

-4.86

2.07
12 FPFIPGHRN

5.45

-3.38

2.07
13 FPFIKGHRN

5.58

-3.5

2.08
14 FPFIPSHRN

6.39

-4.2

2.19
15 FPRIKSHRN

7.29

-4.97

2.32
16 FPPIPGHSN

5.55

-3.03

2.52
17 FPPIKGIRN

5.75

-3.21

2.54
18 FPPIPGIRN

5.98

-3.38

2.6
19 FPPIPSHRN

6.99

-4.23

2.76
20 FPFIPGIRN

5.59

-2.73

2.86
21 FPPIKSHRN

7.38

-4.51

2.87
22 FPRIPGIRN

5.9

-2.86

3.04
23 FPFIKSHRN

6.63

-3.47

3.16
24 FPPIPSIRN

6.49

-3.31

3.18
25 FPPIPSHTN

6.36

-3.16

3.2
26 FPPIPSHSN

6.67

-3.39

3.28
27 FPFIWSHRN

6.49

-3.21

3.28
28 FPRIPSHRN

7.02

-3.51

3.51
29 FPPIPSVRN

7.59

-3.27

4.32
30 FPPIKSIRN

6.47

-2.13

4.34

 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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