Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_1ZUU-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    

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Intraclash 5.244 ΔGbinding 3.180
TOTAL
 8.424
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.112
Van der Waals -2.039 Backbone clash 0.178
Electrostatics 0.211 Helix dipole 0.000
Solvation Polar 2.375 Water bridges -0.162
Solvation Hyd -2.755 Disulfide 0.000
VdW clashes 4.230 Electrost. Kon 0.227
Entropy sc 0.350 Part.cov.bonds 0.000
Entropy mc

1.905

 ΔGstability

33.898
       

Predicted ligand sequences for model [BZZ1-D1_1ZUU-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_1ZUU-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 EGFIGRPTRH 0.0
2 EGRIGRPTRH 0.01
3 EGFMGRPTRH 0.01
4 EGRMGRPTRH 0.02
5 EGWIGRPTRH 0.03
6 EGWMGRPTRH 0.04
7 EGFWGRPTRH 0.12
8 EGRWGRPTRH 0.13
9 EGWWGRPTRH 0.15
10 EGRIGRPNRH 0.23
11 EGFIGRPNRH 0.23
12 EGRMGRPNRH 0.24
13 EGFMGRPNRH 0.24
14 EGWIGRPNRH 0.25
15 EGWMGRPNRH 0.26
16 EGRWGRPNRH 0.35
17 EGFWGRPNRH 0.35
18 EGRIGRTTRH 0.36
19 EGFIGRTTRH 0.36
20 EGFMGRTTRH 0.37
21 EGRMGRTTRH 0.37
22 EGWIGRTTRH 0.38
23 EGWWGRPNRH 0.38
24 EGFIHRPTRH 0.39
25 EGWMGRTTRH 0.39
26 EGRIHRPTRH 0.4
27 EGFMHRPTRH 0.4
28 EGRMHRPTRH 0.41
29 EGWIHRPTRH 0.42
30 EGFIGRETRH 0.43
31 EGWMHRPTRH 0.43
32 EGRIGRETRH 0.43
33 EGRMGRETRH 0.44
34 EGFMGRETRH 0.44
35 EGWIGRETRH 0.45
36 EGWMGRETRH 0.46
37 EGFWGRTTRH 0.48
38 EGRWGRTTRH 0.48
39 EGWWGRTTRH 0.5
40 EGFWHRPTRH 0.51
41 EGRWHRPTRH 0.52
42 EGWWHRPTRH 0.54
43 EGRWGRETRH 0.55
44 EGFWGRETRH 0.55
45 EGWWGRETRH 0.57
46 EGFIGRTNRH 0.58
47 EGRIGRTNRH 0.59
48 EGFMGRTNRH 0.59
49 EGRMGRTNRH 0.6
50 EGWIGRTNRH 0.61
51 EGFIHRPNRH 0.62
52 EGRIHRPNRH 0.62
53 EGWMGRTNRH 0.62
54 EGFMHRPNRH 0.63
55 EGRMHRPNRH 0.64
56 EGWIHRPNRH 0.65
57 EGFIGRENRH 0.66
58 EGRIGRENRH 0.66
59 EGWMHRPNRH 0.66
60 EGFMGRENRH 0.67
61 EGRMGRENRH 0.67
62 EGWIGRENRH 0.68
63 EGWMGRENRH 0.69
64 EGRWGRTNRH 0.71
65 EGFWGRTNRH 0.71
66 EGWWGRTNRH 0.73
67 EGFWHRPNRH 0.74
68 EGFIHRTTRH 0.75
69 EGRIHRTTRH 0.75
70 EGRWHRPNRH 0.75
71 EGFMHRTTRH 0.76
72 EGRMHRTTRH 0.76
73 EGWIHRTTRH 0.77
74 EGWWHRPNRH 0.77
75 EGRWGRENRH 0.78
76 EGFWGRENRH 0.78
77 EGWMHRTTRH 0.78
78 EGWWGRENRH 0.8
79 EGRIHRETRH 0.82
80 EGFIHRETRH 0.82
81 EGRMHRETRH 0.83
82 EGFMHRETRH 0.83
83 EGWIHRETRH 0.84
84 EGWMHRETRH 0.85
85 EGFWHRTTRH 0.87
86 EGRWHRTTRH 0.88
87 EGWWHRTTRH 0.9
88 EGFWHRETRH 0.94
89 EGRWHRETRH 0.95
90 EGWWHRETRH 0.97
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 EGWMGRPTRH

5.96

-6.95

-0.99
2 EGRMGRPTRH

6.03

-6.72

-0.69
3 EGRMGRTTRH

6.56

-6.84

-0.28
4 EGWIGRPTRH

7.09

-7.37

-0.28
5 EGWMGRTTRH

6.37

-6.61

-0.24
6 EGRIGRTTRH

6.78

-7.01

-0.23
7 EGFIGRTTRH

7.02

-6.86

0.16
8 EGFMGRTTRH

6.63

-6.43

0.2
9 EGWIGRTTRH

6.1

-5.71

0.39
10 EGRIGRPTRH

7.03

-6.59

0.44
11 EGFMGRPTRH

6.84

-6.31

0.53
12 EGFIGRETRH

6.96

-6.31

0.65
13 EGFIGRPTRH

6.63

-5.9

0.73
14 EGWWGRPTRH

6.83

-6.0

0.83
15 EGFWGRPTRH

7.06

-6.2

0.86
16 EGFMHRPTRH

7.85

-6.74

1.11
17 EGFIHRPTRH

7.36

-6.25

1.11
18 EGRWGRPTRH

7.38

-6.15

1.23
19 EGWIHRPTRH

7.64

-6.33

1.31
20 EGRMHRPTRH

8.17

-6.84

1.33
21 EGRMGRPNRH

6.92

-5.57

1.35
22 EGRIHRPTRH

8.28

-6.65

1.63
23 EGRWGRPNRH

6.87

-4.91

1.96
24 EGFMGRPNRH

7.56

-5.48

2.08
25 EGWMGRPNRH

6.63

-4.08

2.55
26 EGFWGRPNRH

7.55

-4.84

2.71
27 EGWIGRPNRH

7.3

-4.58

2.72
28 EGWWGRPNRH

6.64

-3.83

2.81
29 EGFIGRPNRH

6.79

-3.41

3.38
30 EGRIGRPNRH

8.06

-4.48

3.58

 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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