Predicted ligand sequences (modelled structure)


ADAN-name: HSE1_1OEB-17.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
G
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 3.433 ΔGbinding 1.889
TOTAL
 5.322
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.473
Van der Waals -4.481 Backbone clash 0.009
Electrostatics 0.532 Helix dipole 0.000
Solvation Polar 4.473 Water bridges -0.003
Solvation Hyd -6.535 Disulfide 0.000
VdW clashes 3.874 Electrost. Kon 0.562
Entropy sc 0.618 Part.cov.bonds 0.000
Entropy mc

3.649

 ΔGstability

52.479
       

Predicted ligand sequences for model [HSE1_1OEB-17.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-17.PDB  

(data)
# Predicted Sequences Value Calculate
1 YPFVRGRAR 0.0
2 YPWVRGRAR 0.03
3 YPFVNGRAR 0.09
4 YPFMRGRAR 0.11
5 YPYVRGRAR 0.11
6 YPWVNGRAR 0.12
7 YPWMRGRAR 0.13
8 YPLVRGRAR 0.15
9 YPFMNGRAR 0.2
10 YPYVNGRAR 0.2
11 YPWMNGRAR 0.22
12 YPYMRGRAR 0.22
13 YPLVNGRAR 0.24
14 YPLMRGRAR 0.26
15 FPFVRGRAR 0.26
16 FPWVRGRAR 0.29
17 YPFVWGRAR 0.3
18 YPYMNGRAR 0.31
19 YPWVWGRAR 0.33
20 YVFVRGRAR 0.35
21 FPFVNGRAR 0.35
22 YPLMNGRAR 0.35
23 FPYVRGRAR 0.37
24 FPFMRGRAR 0.37
25 FPWVNGRAR 0.38
26 YVWVRGRAR 0.38
27 FPWMRGRAR 0.39
28 YPFMWGRAR 0.41
29 YPYVWGRAR 0.41
30 FPLVRGRAR 0.41
31 YPFVKGRAR 0.43
32 YPWMWGRAR 0.44
33 YVFVNGRAR 0.44
34 YPLVWGRAR 0.45
35 YPWVKGRAR 0.45
36 YVYVRGRAR 0.46
37 FPYVNGRAR 0.46
38 YVFMRGRAR 0.46
39 FPFMNGRAR 0.46
40 YVWVNGRAR 0.47
41 YVWMRGRAR 0.48
42 FPWMNGRAR 0.48
43 FPYMRGRAR 0.48
44 FPLVNGRAR 0.5
45 YVLVRGRAR 0.5
46 FPLMRGRAR 0.52
47 YPYMWGRAR 0.52
48 YPFMKGRAR 0.54
49 YPYVKGRAR 0.54
50 YVYVNGRAR 0.55
51 YVFMNGRAR 0.55
52 FPFVWGRAR 0.56
53 YPWMKGRAR 0.56
54 YPLMWGRAR 0.56
55 YVYMRGRAR 0.57
56 FPYMNGRAR 0.57
57 YVWMNGRAR 0.57
58 YPLVKGRAR 0.58
59 YVLVNGRAR 0.59
60 FPWVWGRAR 0.59
61 FPLMNGRAR 0.61
62 YVLMRGRAR 0.61
63 FVFVRGRAR 0.61
64 FVWVRGRAR 0.64
65 YPYMKGRAR 0.64
66 YVFVWGRAR 0.66
67 YVYMNGRAR 0.66
68 FPYVWGRAR 0.67
69 FPFMWGRAR 0.67
70 YPLMKGRAR 0.68
71 YVWVWGRAR 0.68
72 FPFVKGRAR 0.69
73 FVFVNGRAR 0.7
74 FPWMWGRAR 0.7
75 YVLMNGRAR 0.7
76 FPLVWGRAR 0.71
77 FVYVRGRAR 0.72
78 FPWVKGRAR 0.72
79 FVFMRGRAR 0.72
80 FVWVNGRAR 0.73
81 FVWMRGRAR 0.74
82 YVYVWGRAR 0.76
83 YVFMWGRAR 0.76
84 FVLVRGRAR 0.76
85 FPYMWGRAR 0.78
86 YVFVKGRAR 0.78
87 YVWMWGRAR 0.79
88 YVWVKGRAR 0.8
89 FPFMKGRAR 0.8
90 YVLVWGRAR 0.8
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 YPWVRGRAR

4.21

-9.95

-5.74
2 YPYMRGRAR

4.4

-10.02

-5.62
3 FPYVRGRAR

4.23

-9.73

-5.5
4 YPLMNGRAR

4.31

-9.71

-5.4
5 YPYMNGRAR

3.95

-9.28

-5.33
6 YPFVNGRAR

3.98

-9.13

-5.15
7 YPYVRGRAR

4.16

-9.25

-5.09
8 FPFMRGRAR

4.49

-9.45

-4.96
9 YPLVRGRAR

4.08

-9.04

-4.96
10 YPLMRGRAR

4.23

-9.18

-4.95
11 YPYVNGRAR

4.17

-9.01

-4.84
12 FPFVRGRAR

4.41

-9.17

-4.76
13 FPFVNGRAR

4.09

-8.81

-4.72
14 YPFMRGRAR

4.4

-9.12

-4.72
15 YPFMNGRAR

4.58

-9.28

-4.7
16 FPLVRGRAR

4.58

-9.2

-4.62
17 YPWMNGRAR

4.07

-8.63

-4.56
18 YVWVRGRAR

3.83

-8.3

-4.47
19 FPWVNGRAR

4.09

-8.48

-4.39
20 FPWVRGRAR

4.09

-8.42

-4.33
21 FPWMRGRAR

4.69

-8.91

-4.22
22 YPFVRGRAR

4.22

-8.33

-4.11
23 YPLVNGRAR

4.38

-8.21

-3.83
24 YVFVRGRAR

4.63

-8.38

-3.75
25 YPWMRGRAR

5.12

-8.73

-3.61
26 YPFMWGRAR

5.89

-9.4

-3.51
27 YPYVWGRAR

6.01

-9.47

-3.46
28 YPWVNGRAR

4.24

-7.14

-2.9
29 YPWVWGRAR

5.77

-8.66

-2.89
30 YPFVWGRAR

6.12

-8.56

-2.44

 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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