Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_2A28-26.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
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 3.196 ΔGbinding -1.683
TOTAL
 1.513
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.373
Van der Waals -3.775 Backbone clash 0.074
Electrostatics 0.355 Helix dipole 0.000
Solvation Polar 3.958 Water bridges -0.071
Solvation Hyd -5.033 Disulfide 0.000
VdW clashes 0.668 Electrost. Kon 0.358
Entropy sc 0.491 Part.cov.bonds 0.000
Entropy mc

2.268

 ΔGstability

80.367
       

Predicted ligand sequences for model [BZZ1-D1_2A28-26.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_2A28-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 SDRPKIRPR 0.0
2 SDRPRIRPR 0.0
3 SDIPKIRPR 0.1
4 SDIPRIRPR 0.1
5 SDRPPIRPR 0.1
6 SRRPKIRPR 0.12
7 SRRPRIRPR 0.12
8 SDPPRIRPR 0.17
9 SDPPKIRPR 0.17
10 SDRPKIRRR 0.2
11 SDRPRIRRR 0.2
12 SDIPPIRPR 0.2
13 SRIPKIRPR 0.22
14 SRIPRIRPR 0.22
15 SRRPPIRPR 0.22
16 SDRPKIRER 0.24
17 SDRPRIRER 0.24
18 SERPKIRPR 0.26
19 SDPPPIRPR 0.27
20 SERPRIRPR 0.27
21 RDRPKIRPR 0.28
22 SRPPRIRPR 0.29
23 RDRPRIRPR 0.29
24 SRPPKIRPR 0.29
25 SDIPRIRRR 0.3
26 SDRPPIRRR 0.3
27 SDIPKIRRR 0.3
28 SDRPKIPPR 0.32
29 SRRPKIRRR 0.32
30 SRRPRIRRR 0.32
31 SRIPPIRPR 0.32
32 SDRPRIPPR 0.33
33 SDIPKIRER 0.34
34 SDRPPIRER 0.34
35 SDIPRIRER 0.34
36 SRRPKIRER 0.35
37 EDRPKIRPR 0.36
38 SEIPRIRPR 0.36
39 SRRPRIRER 0.36
40 SEIPKIRPR 0.36
41 EDRPRIRPR 0.36
42 SERPPIRPR 0.36
43 RDIPKIRPR 0.38
44 SDPPKIRRR 0.38
45 RDIPRIRPR 0.38
46 RDRPPIRPR 0.38
47 SDPPRIRRR 0.38
48 SRPPPIRPR 0.39
49 SDIPPIRRR 0.4
50 RRRPRIRPR 0.4
51 RRRPKIRPR 0.4
52 SDPPRIRER 0.41
53 SDPPKIRER 0.41
54 SRIPRIRRR 0.42
55 SDIPRIPPR 0.42
56 SRRPPIRRR 0.42
57 SDRPPIPPR 0.42
58 SRIPKIRRR 0.42
59 SDIPKIPPR 0.42
60 SRRPRIPPR 0.44
61 SRRPKIPPR 0.44
62 SEPPRIRPR 0.44
63 SEPPKIRPR 0.44
64 SDIPPIRER 0.44
65 SRIPKIRER 0.45
66 EDIPRIRPR 0.46
67 SEIPPIRPR 0.46
68 SRRPPIRER 0.46
69 RDPPKIRPR 0.46
70 RDPPRIRPR 0.46
71 EDRPPIRPR 0.46
72 SRIPRIRER 0.46
73 EDIPKIRPR 0.46
74 SERPRIRRR 0.47
75 SERPKIRRR 0.47
76 ERRPKIRPR 0.47
77 RDIPPIRPR 0.48
78 ERRPRIRPR 0.48
79 SDPPPIRRR 0.48
80 SRPPKIRRR 0.49
81 RDRPKIRRR 0.49
82 SRPPRIRRR 0.49
83 RDRPRIRRR 0.49
84 SDPPKIPPR 0.5
85 RRIPKIRPR 0.5
86 RRIPRIRPR 0.5
87 SERPKIRER 0.5
88 SDRIRIRPR 0.5
89 RRRPPIRPR 0.5
90 SERPRIRER 0.5
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 SDPPRIRPR

3.66

-10.25

-6.59
2 SDIPPIRPR

3.69

-10.03

-6.34
3 SRRPPIRPR

3.33

-9.67

-6.34
4 SRPPRIRPR

3.84

-10.03

-6.19
5 SDRPKIPPR

2.9

-8.95

-6.05
6 SDRPRIRPR

4.03

-9.88

-5.85
7 RDRPRIRPR

3.75

-9.6

-5.85
8 SDIPKIRRR

3.69

-9.45

-5.76
9 SDPPPIRPR

3.22

-8.93

-5.71
10 SDRPKIRPR

3.55

-9.17

-5.62
11 SDRPRIRRR

3.86

-9.44

-5.58
12 SDRPRIRER

3.87

-9.41

-5.54
13 SRPPKIRPR

4.12

-9.64

-5.52
14 SDRPKIRRR

3.92

-9.34

-5.42
15 SDRPKIRER

3.68

-9.09

-5.41
16 SERPRIRPR

3.71

-9.03

-5.32
17 SDIPKIRPR

4.06

-9.36

-5.3
18 SERPKIRPR

4.27

-9.42

-5.15
19 SRRPKIRPR

3.77

-8.88

-5.11
20 SDIPRIRRR

3.69

-8.71

-5.02
21 SDRPPIRPR

3.27

-8.28

-5.01
22 RDRPKIRPR

4.41

-9.27

-4.86
23 SRIPKIRPR

3.79

-8.41

-4.62
24 SDPPKIRPR

3.4

-8.02

-4.62
25 SRIPRIRPR

4.04

-8.61

-4.57
26 SRRPRIRPR

4.55

-8.94

-4.39
27 SDIPRIRPR

4.06

-8.32

-4.26
28 SDRPPIRRR

3.46

-7.51

-4.05
29 SRRPKIRRR

3.68

-7.53

-3.85
30 SRRPRIRRR

3.89

-7.63

-3.74

 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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