Predicted ligand sequences (modelled structure)


ADAN-name: HSE1_1OEB-18.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
 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 5.754 ΔGbinding 0.029
TOTAL
 5.783
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 1.478
Van der Waals -3.400 Backbone clash 1.124
Electrostatics 0.252 Helix dipole 0.000
Solvation Polar 3.216 Water bridges 0.000
Solvation Hyd -5.002 Disulfide 0.000
VdW clashes 0.580 Electrost. Kon 0.259
Entropy sc 0.380 Part.cov.bonds 0.000
Entropy mc

2.267

 ΔGstability

51.567
       

Predicted ligand sequences for model [HSE1_1OEB-18.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-18.PDB  

(data)
# Predicted Sequences Value Calculate
1 FRPIKSHWYY 0.0
2 FRPIKSHHYY 0.01
3 FRPIKSHWYW 0.04
4 FRPIKSHHYW 0.05
5 FPPIKSHWYY 0.08
6 FPPIKSHHYY 0.09
7 FRPIKSIWYY 0.1
8 FPPIKSHWYW 0.11
9 FRPIKSIHYY 0.11
10 FPPIKSHHYW 0.12
11 FRPIKSIWYW 0.13
12 FRPIKSIHYW 0.14
13 FRPIKSWWYY 0.14
14 FRPIKSWHYY 0.15
15 FRRIKSHWYY 0.16
16 FPPIKSIWYY 0.17
17 FRRIKSHHYY 0.17
18 FRPIKSWWYW 0.17
19 FRPIKSWHYW 0.18
20 FPPIKSIHYY 0.18
21 FRRIKSHWYW 0.19
22 FRRIKSHHYW 0.2
23 FPPIKSWWYY 0.21
24 FPPIKSIWYW 0.21
25 FRPIKGHWYY 0.21
26 FRPIKGHHYY 0.22
27 FPPIKSIHYW 0.22
28 FRPIKRHWYY 0.23
29 FPPIKSWHYY 0.23
30 FPRIKSHWYY 0.23
31 FRPIKGHWYW 0.24
32 FRFIKSHWYY 0.24
33 FRPIKRHHYY 0.24
34 FPRIKSHHYY 0.24
35 FPPIKSWWYW 0.25
36 FRRIKSIWYY 0.25
37 FRFIKSHHYY 0.25
38 FRPIKRHWYW 0.26
39 FPPIKSWHYW 0.26
40 FRPIKGHHYW 0.26
41 FRRIKSIHYY 0.26
42 FRFIKSHWYW 0.27
43 FRPIKRHHYW 0.27
44 FPRIKSHWYW 0.27
45 FRPIKSHWKY 0.27
46 FRFIKSHHYW 0.28
47 FPRIKSHHYW 0.28
48 FRPIKSHHKY 0.28
49 FRRIKSIWYW 0.29
50 FPPIKGHWYY 0.29
51 FRRIKSWWYY 0.29
52 FPPIKRHWYY 0.3
53 FRRIKSWHYY 0.3
54 FRPIKGIWYY 0.3
55 FRRIKSIHYW 0.3
56 FPPIKGHHYY 0.3
57 FRPIKSHWKW 0.3
58 FPPIKRHHYY 0.31
59 FRPIKSHHKW 0.31
60 FRPIKGIHYY 0.32
61 FPPIKGHWYW 0.32
62 FRPIKRIWYY 0.32
63 FPFIKSHWYY 0.32
64 FPRIKSIWYY 0.33
65 FRPIKRIHYY 0.33
66 FPFIKSHHYY 0.33
67 FRFIKSIWYY 0.33
68 FPPIKGHHYW 0.33
69 FRRIKSWWYW 0.33
70 FPPIKRHWYW 0.34
71 FRRIKSWHYW 0.34
72 FRPIKGIWYW 0.34
73 FPPIKSHWKY 0.34
74 FRFIKSIHYY 0.34
75 FPRIKSIHYY 0.34
76 FPPIKRHHYW 0.35
77 FRPIKGIHYW 0.35
78 FRPIKGWWYY 0.35
79 FPFIKSHWYW 0.35
80 FPPIKSHHKY 0.35
81 FRPIKGWHYY 0.36
82 FRPIKSIWKY 0.36
83 FRRIKGHWYY 0.36
84 FPRIKSIWYW 0.36
85 FRPIKRIWYW 0.36
86 FPFIKSHHYW 0.36
87 FRPIKRWWYY 0.36
88 FPRIKSIHYW 0.37
89 FRPIKRIHYW 0.37
90 FRFIKSIWYW 0.37
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FPPIKSIHYW

4.26

-7.93

-3.67
2 FPPIKSHWYW

4.58

-7.67

-3.09
3 FPPIKSWHYY

3.96

-6.94

-2.98
4 FPPIKSWWYY

5.22

-7.87

-2.65
5 FPPIKSHHYW

4.4

-7.04

-2.64
6 FPRIKSHWYY

5.66

-7.73

-2.07
7 FRRIKSHHYW

5.79

-7.58

-1.79
8 FPPIKSIWYY

4.03

-5.77

-1.74
9 FPPIKSIHYY

4.98

-6.68

-1.7
10 FPPIKSHWYY

5.13

-6.76

-1.63
11 FPPIKSHHYY

4.65

-6.12

-1.47
12 FRPIKGHHYY

4.01

-5.33

-1.32
13 FPPIKSIWYW

4.31

-5.46

-1.15
14 FRRIKSHHYY

5.2

-6.22

-1.02
15 FRPIKGHWYY

3.43

-4.41

-0.98
16 FRPIKSWHYW

3.86

-4.41

-0.55
17 FRPIKSHHYW

4.41

-4.61

-0.2
18 FRPIKSHHYY

4.2

-4.4

-0.2
19 FRPIKSHWYY

4.15

-4.33

-0.18
20 FRPIKRHWYY

5.25

-5.04

0.21
21 FRRIKSHWYW

5.25

-5.0

0.25
22 FRPIKSIHYY

5.01

-4.66

0.35
23 FRPIKSIHYW

5.02

-4.33

0.69
24 FRRIKSHWYY

5.84

-5.02

0.82
25 FRPIKSWHYY

5.1

-4.2

0.9
26 FRPIKSIWYY

6.34

-5.17

1.17
27 FRPIKSWWYW

6.98

-5.71

1.27
28 FRPIKSHWYW

5.53

-3.83

1.7
29 FRPIKSWWYY

5.08

-3.26

1.82
30 FRPIKSIWYW

5.25

-3.32

1.93

 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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