Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_2A28-4.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
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 4.451 ΔGbinding -5.884
TOTAL
 -1.433
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.911
Van der Waals -4.880 Backbone clash 0.218
Electrostatics -0.357 Helix dipole 0.000
Solvation Polar 5.038 Water bridges -0.061
Solvation Hyd -7.039 Disulfide 0.000
VdW clashes 0.829 Electrost. Kon -0.471
Entropy sc 1.081 Part.cov.bonds 0.000
Entropy mc

1.616

 ΔGstability

86.181
       

Predicted ligand sequences for model [BZZ1-D1_2A28-4.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_2A28-4.PDB  

(data)
# Predicted Sequences Value Calculate
1 FRPRRFPDRP 0.0
2 FRRRRFPDRP 0.09
3 FRPRKFPDRP 0.11
4 FRPRRFPDNP 0.13
5 FRPRRYPDRP 0.14
6 FRPRRFPDRM 0.15
7 FRPRRFPKRP 0.16
8 FRPRRFPPRP 0.18
9 FRRRKFPDRP 0.2
10 FRKRRFPDRP 0.2
11 FRRRRFPDNP 0.22
12 FRRRRYPDRP 0.23
13 FRPRKFPDNP 0.24
14 FRRRRFPDRM 0.24
15 FRPRRFPDKP 0.24
16 FRRRRFPKRP 0.25
17 FRPRKYPDRP 0.25
18 FRPRKFPDRM 0.26
19 FRPRRFDDRP 0.27
20 FRPRRYPDNP 0.27
21 FRPRKFPKRP 0.27
22 FRRRRFPPRP 0.27
23 FRPRMFPDRP 0.28
24 FRPRRFPDNM 0.28
25 FRPRRFPKNP 0.28
26 WRPRRFPDRP 0.29
27 FRPRKFPPRP 0.29
28 FRPRRYPDRM 0.29
29 FRPRRFPPNP 0.3
30 FRPRRFPKRM 0.3
31 FRPRRYPKRP 0.3
32 FRKRKFPDRP 0.31
33 FRPRRFPPRM 0.32
34 FRPRRYPPRP 0.32
35 FRRRKFPDNP 0.33
36 FRKRRFPDNP 0.33
37 FRRRRFPDKP 0.33
38 FRRRKYPDRP 0.34
39 FRKRRYPDRP 0.34
40 FRRRKFPDRM 0.35
41 FRPRKFPDKP 0.35
42 FRKRRFPDRM 0.35
43 FRRRKFPKRP 0.36
44 FRKRRFPKRP 0.36
45 FRRRRYPDNP 0.36
46 FRRRRFPDNM 0.37
47 FRRRRFDDRP 0.37
48 FRKRRFPPRP 0.38
49 FRRRMFPDRP 0.38
50 FRPRKYPDNP 0.38
51 FRPRKFDDRP 0.38
52 FRRRRYPDRM 0.38
53 FRRRRFPKNP 0.38
54 FRPRRYPDKP 0.38
55 FRRRKFPPRP 0.38
56 FRPRKFPKNP 0.39
57 WRRRRFPDRP 0.39
58 FRPRKFPDNM 0.39
59 FRPRRFPDKM 0.39
60 FRRRRYPKRP 0.39
61 FRRRRFPPNP 0.4
62 FRPRRFPKKP 0.4
63 FRPRRFDDNP 0.4
64 FRRRRFPKRM 0.4
65 WRPRKFPDRP 0.4
66 FRPRKYPDRM 0.4
67 FRPRMFPDNP 0.41
68 FRPRRYDDRP 0.41
69 FRPRKFPPNP 0.41
70 FRRRRYPPRP 0.41
71 FRPRKYPKRP 0.41
72 FRPRRYPDNM 0.42
73 FRPRKYPPRP 0.42
74 FRPRRFDDRM 0.42
75 FRPRRYPKNP 0.42
76 WRPRRFPDNP 0.42
77 FRPRKFPKRM 0.42
78 FRRRRFPPRM 0.42
79 FRPRRFPPKP 0.42
80 FRPRMYPDRP 0.42
81 FRPRMFPDRM 0.43
82 FRPRKFPPRM 0.43
83 FRPRRFDKRP 0.43
84 FRPRRFPKNM 0.43
85 WRPRRYPDRP 0.43
86 FRKRRFPDKP 0.44
87 WRPRRFPDRM 0.44
88 FRKRKFPDNP 0.44
89 FRRRKFPDKP 0.44
90 IRPRRFPDRP 0.44
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FRRRRFPPRP

5.0

-15.72

-10.72
2 FRKRRFPDRP

4.7

-13.72

-9.02
3 FRRRRFPKRP

5.6

-13.73

-8.13
4 FRPRRFPKNP

4.5

-11.93

-7.43
5 WRPRRFPDRP

5.68

-12.88

-7.2
6 FRPRRYPDRP

4.14

-11.15

-7.01
7 FRPRRFPDNP

5.13

-12.11

-6.98
8 FRPRRFPPNP

5.16

-12.01

-6.85
9 FRRRRYPDRP

4.31

-11.09

-6.78
10 FRPRKFPKRP

4.56

-11.14

-6.58
11 FRPRRFPKRP

4.66

-11.22

-6.56
12 FRRRRFPDNP

6.42

-12.98

-6.56
13 FRPRKFPPRP

5.39

-11.79

-6.4
14 FRPRRFPDNM

5.3

-11.42

-6.12
15 FRPRRFPDRM

5.24

-11.28

-6.04
16 FRRRRFPDRP

4.03

-9.98

-5.95
17 FRPRRFPDRP

4.71

-10.46

-5.75
18 FRPRRFDDRP

4.79

-10.53

-5.74
19 FRPRKYPDRP

4.98

-10.6

-5.62
20 FRPRRFPPRP

5.52

-10.76

-5.24
21 FRPRRFPKRM

4.86

-10.04

-5.18
22 FRPRRYPDNP

4.77

-9.63

-4.86
23 FRPRKFPDRP

4.02

-8.76

-4.74
24 FRRRKFPDRP

4.17

-8.55

-4.38
25 FRPRRYPDRM

5.43

-9.53

-4.1
26 FRPRRFPDKP

4.77

-8.74

-3.97
27 FRPRMFPDRP

5.01

-8.73

-3.72
28 FRRRRFPDRM

4.66

-8.05

-3.39
29 FRPRKFPDNP

4.73

-7.72

-2.99
30 FRPRKFPDRM

4.47

-6.81

-2.34

 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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