Predicted ligand sequences (modelled structure)


ADAN-name: HSE1_1OEB-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 5.107 ΔGbinding -1.641
TOTAL
 3.466
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.706
Van der Waals -3.635 Backbone clash 0.000
Electrostatics 0.491 Helix dipole 0.000
Solvation Polar 3.785 Water bridges 0.000
Solvation Hyd -4.938 Disulfide 0.000
VdW clashes 0.043 Electrost. Kon 0.615
Entropy sc 0.454 Part.cov.bonds 0.000
Entropy mc

2.113

 ΔGstability

43.385
       

Predicted ligand sequences for model [HSE1_1OEB-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).
 
  HSE1_1OEB-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 DDRPRRPPR 0.0
2 DDRPRRFPR 0.04
3 DDRPKRPPR 0.04
4 DRRPRRPPR 0.04
5 DRRPKRPPR 0.08
6 DDRPKRFPR 0.08
7 DRRPRRFPR 0.09
8 DRRPKRFPR 0.12
9 DDRPHRPPR 0.13
10 DDRPRRPRR 0.13
11 DDRPKRPRR 0.16
12 DRRPRRPRR 0.17
13 DDRIRRPPR 0.17
14 DDRPHRFPR 0.17
15 DRRPHRPPR 0.17
16 DDRPRRFRR 0.17
17 DDRIKRPPR 0.2
18 DRRPHRFPR 0.21
19 DDRIRRFPR 0.21
20 DRRPRRFRR 0.21
21 DRRIRRPPR 0.21
22 DDRPKRFRR 0.21
23 DRRPKRPRR 0.21
24 DDRIKRFPR 0.24
25 DRRIKRPPR 0.25
26 DRRPKRFRR 0.25
27 DRRIRRFPR 0.25
28 DDRPHRPRR 0.26
29 DERPRRPPR 0.27
30 DDRIHRPPR 0.29
31 DRRIKRFPR 0.29
32 DDRIRRPRR 0.29
33 DDRPHRFRR 0.3
34 DRRPHRPRR 0.3
35 DDRPRRPHR 0.3
36 DERPKRPPR 0.31
37 DERPRRFPR 0.31
38 DDRPKRPHR 0.33
39 DDRIKRPRR 0.33
40 DDRIHRFPR 0.34
41 DRRPHRFRR 0.34
42 DDRIRRFRR 0.34
43 DDRPRRFHR 0.34
44 DRRIHRPPR 0.34
45 DRRPRRPHR 0.34
46 DRRIRRPRR 0.34
47 DERPKRFPR 0.35
48 DDRIKRFRR 0.37
49 DRRIKRPRR 0.37
50 DRRPKRPHR 0.38
51 DRRIHRFPR 0.38
52 DRRIRRFRR 0.38
53 DDRPKRFHR 0.38
54 DRRPRRFHR 0.39
55 DERPRRPRR 0.4
56 DERPHRPPR 0.4
57 DDRIHRPRR 0.42
58 DRRPKRFHR 0.42
59 DRRIKRFRR 0.42
60 DDRPHRPHR 0.43
61 DERPKRPRR 0.43
62 EDRPRRPPR 0.44
63 DERPHRFPR 0.44
64 DERPRRFRR 0.44
65 DERIRRPPR 0.44
66 DDRIRRPHR 0.46
67 DRRIHRPRR 0.46
68 DDRIHRFRR 0.46
69 DERIKRPPR 0.47
70 DRRPHRPHR 0.47
71 DDRPHRFHR 0.47
72 DERPKRFRR 0.48
73 DERIRRFPR 0.48
74 ERRPRRPPR 0.48
75 EDRPKRPPR 0.48
76 EDRPRRFPR 0.48
77 DDRIKRPHR 0.5
78 DRRIRRPHR 0.51
79 DERIKRFPR 0.51
80 DRRPHRFHR 0.51
81 DRRIHRFRR 0.51
82 DDRIRRFHR 0.51
83 EDRPKRFPR 0.52
84 ERRPKRPPR 0.52
85 ERRPRRFPR 0.53
86 DERPHRPRR 0.53
87 DDRIKRFHR 0.54
88 DRRIKRPHR 0.54
89 DRRIRRFHR 0.55
90 DERIRRPRR 0.56
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 DRRPKRPRR

2.56

-12.95

-10.39
2 DDRPKRPRR

2.58

-12.82

-10.24
3 DRRPRRPRR

2.66

-12.72

-10.06
4 DRRPRRPPR

4.3

-13.78

-9.48
5 DDRPKRPPR

4.44

-13.59

-9.15
6 DDRPHRPPR

4.22

-13.3

-9.08
7 DRRPHRPPR

4.19

-13.17

-8.98
8 DERPRRPPR

4.32

-13.26

-8.94
9 DDRPHRPRR

2.52

-11.31

-8.79
10 DRRPKRPPR

4.46

-13.18

-8.72
11 DDRPRRPPR

4.28

-12.93

-8.65
12 DDRPRRPRR

4.4

-12.85

-8.45
13 DDRIRRPPR

4.44

-12.77

-8.33
14 DRRIKRPPR

4.35

-12.6

-8.25
15 DRRPKRFRR

4.21

-12.45

-8.24
16 DRRIRRPPR

4.4

-12.53

-8.13
17 DDRPRRFPR

6.22

-14.08

-7.86
18 DRRPRRFRR

4.57

-12.31

-7.74
19 DDRIKRPPR

5.4

-12.93

-7.53
20 DRRPRRFPR

5.77

-12.9

-7.13
21 DDRPKRFPR

5.87

-12.97

-7.1
22 DDRPKRFRR

5.96

-12.86

-6.9
23 DDRIRRFPR

6.11

-12.95

-6.84
24 DDRPHRFPR

5.91

-12.63

-6.72
25 DDRIKRFPR

4.25

-10.88

-6.63
26 DDRIHRPPR

4.66

-11.29

-6.63
27 DRRPHRFPR

6.12

-12.54

-6.42
28 DRRIRRFPR

6.15

-12.07

-5.92
29 DDRPRRFRR

5.94

-11.73

-5.79
30 DRRPKRFPR

6.07

-11.75

-5.68

 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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