Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_1ZUU-7.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala
A
G
 A A 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 6.393 ΔGbinding 4.417
TOTAL
 10.810
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.363
Van der Waals -4.501 Backbone clash 17.058
Electrostatics 0.240 Helix dipole 0.000
Solvation Polar 5.980 Water bridges 0.008
Solvation Hyd -5.408 Disulfide 0.000
VdW clashes 6.315 Electrost. Kon 0.214
Entropy sc 0.859 Part.cov.bonds 0.000
Entropy mc

2.898

 ΔGstability

31.082
       

Predicted ligand sequences for model [BZZ1-D1_1ZUU-7.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-7.PDB  

(data)
# Predicted Sequences Value Calculate
1 FMDLDHRK 0.0
2 FMPLDHRK 0.0
3 FMDIDHRK 0.05
4 FMPIDHRK 0.05
5 FMPLWHRK 0.12
6 FMDLWHRK 0.12
7 FMPIWHRK 0.16
8 FMDIWHRK 0.17
9 FMPLDHRR 0.19
10 FMPRDHRK 0.2
11 FMDLDHRR 0.2
12 FMDRDHRK 0.2
13 FMDIDHRR 0.24
14 FMPIDHRR 0.24
15 FMHLDHRK 0.24
16 FLPLDHRK 0.28
17 FMHIDHRK 0.29
18 FLDLDHRK 0.29
19 FMDLWHRR 0.31
20 FMPLWHRR 0.31
21 FMPRWHRK 0.32
22 FMDRWHRK 0.32
23 FLPIDHRK 0.33
24 FLDIDHRK 0.33
25 FMDIWHRR 0.36
26 FMHLWHRK 0.36
27 FMPIWHRR 0.36
28 FMPRDHRR 0.39
29 FLDLWHRK 0.4
30 FLPLWHRK 0.4
31 FMDRDHRR 0.4
32 FMHIWHRK 0.41
33 FMDLDHRQ 0.43
34 FMPLDHRQ 0.43
35 FMHRDHRK 0.44
36 FMHLDHRR 0.44
37 FLPIWHRK 0.45
38 FLDIWHRK 0.45
39 FMPLMHRK 0.46
40 FMDIDHRQ 0.47
41 FMPIDHRQ 0.47
42 FMDLMHRK 0.47
43 FLPLDHRR 0.48
44 FMHIDHRR 0.48
45 FLPRDHRK 0.48
46 FLDLDHRR 0.48
47 FLDRDHRK 0.49
48 FMPIMHRK 0.51
49 FMDIMHRK 0.51
50 FMPRWHRR 0.51
51 FMDRWHRR 0.51
52 FLPIDHRR 0.52
53 FLHLDHRK 0.53
54 FLDIDHRR 0.53
55 FMPLWHRQ 0.54
56 FMHLWHRR 0.55
57 FMDLWHRQ 0.55
58 FMHRWHRK 0.56
59 FLHIDHRK 0.57
60 FMDIWHRQ 0.59
61 FMPIWHRQ 0.59
62 FLPLWHRR 0.59
63 FLPRWHRK 0.6
64 FLDLWHRR 0.6
65 FLDRWHRK 0.6
66 FMHIWHRR 0.6
67 FMPRDHRQ 0.63
68 FMDRDHRQ 0.63
69 FMHRDHRR 0.64
70 FLDIWHRR 0.64
71 FLPIWHRR 0.64
72 FLHLWHRK 0.65
73 FMPRMHRK 0.66
74 FMDLMHRR 0.66
75 FMPLMHRR 0.66
76 FMDRMHRK 0.67
77 FMHLDHRQ 0.67
78 FLDRDHRR 0.68
79 FLPRDHRR 0.68
80 FLHIWHRK 0.69
81 FMPIMHRR 0.7
82 FMDIMHRR 0.7
83 FLPLDHRQ 0.71
84 FMHLMHRK 0.71
85 FLDLDHRQ 0.71
86 FLHLDHRR 0.72
87 FMHIDHRQ 0.72
88 FLHRDHRK 0.73
89 FMPRWHRQ 0.74
90 FLPLMHRK 0.75
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FLPLWHRK

4.36

-5.83

-1.47
2 FMPIWHRR

4.99

-6.2

-1.21
3 FMDIWHRR

6.24

-7.09

-0.85
4 FMHIDHRK

5.25

-5.76

-0.51
5 FMDLWHRR

5.8

-5.94

-0.14
6 FMPLDHRR

6.62

-6.37

0.25
7 FMDRDHRK

5.99

-5.73

0.26
8 FLPLDHRK

5.38

-4.94

0.44
9 FMPLWHRR

6.48

-5.89

0.59
10 FMPRWHRK

5.75

-5.15

0.6
11 FMPRDHRR

5.95

-5.26

0.69
12 FMPIDHRR

6.32

-5.62

0.7
13 FMPIDHRK

6.45

-5.67

0.78
14 FMHLDHRK

5.59

-4.59

1.0
15 FMPRDHRK

6.22

-4.84

1.38
16 FMDLWHRK

6.48

-4.9

1.58
17 FMPLDHRK

5.73

-3.67

2.06
18 FMPLWHRK

7.64

-5.57

2.07
19 FMDIWHRK

6.4

-4.26

2.14
20 FMDIDHRR

6.96

-4.79

2.17
21 FLDLWHRK

6.5

-4.08

2.42
22 FMDLDHRK

6.83

-4.2

2.63
23 FMHLWHRK

6.99

-4.02

2.97
24 FMPIWHRK

7.35

-4.35

3.0
25 FLDIDHRK

6.04

-2.59

3.45
26 FLPIDHRK

6.08

-2.59

3.49
27 FMDRWHRK

6.24

-2.72

3.52
28 FMDIDHRK

5.88

-2.28

3.6
29 FLDLDHRK

5.27

-1.63

3.64
30 FMDLDHRR

8.28

-2.43

5.85

 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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