Predicted ligand sequences (modelled structure)


ADAN-name: HSE1_1OEB-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 9.877 ΔGbinding 5.922
TOTAL
 15.799
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 2.257
Van der Waals -4.495 Backbone clash 0.000
Electrostatics -0.330 Helix dipole 0.000
Solvation Polar 4.230 Water bridges -0.059
Solvation Hyd -6.671 Disulfide 0.000
VdW clashes 9.420 Electrost. Kon -0.394
Entropy sc 0.886 Part.cov.bonds 0.000
Entropy mc

2.352

 ΔGstability

60.882
       

Predicted ligand sequences for model [HSE1_1OEB-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).
 
  HSE1_1OEB-4.PDB  

(data)
# Predicted Sequences Value Calculate
1 KRPRKQRKPR 0.0
2 KRPRKQRPPR 0.04
3 KRPRKQRKMR 0.06
4 KRPRKQRWPR 0.08
5 KRPRKQRPMR 0.1
6 KRPRKQRWMR 0.14
7 KRPRKYRKPR 0.15
8 KRPRKYRPPR 0.2
9 KRPRKYRKMR 0.21
10 KRPRKYRWPR 0.23
11 KRRRKQRKPR 0.24
12 KRPRKYRPMR 0.26
13 KRHRKQRKPR 0.28
14 KRRRKQRPPR 0.28
15 KRPRKYRWMR 0.29
16 KRRRKQRKMR 0.3
17 KRHRKQRPPR 0.32
18 KRRRKQRWPR 0.32
19 KRRRKQRPMR 0.34
20 KRHRKQRKMR 0.34
21 KRHRKQRWPR 0.36
22 KRRRKQRWMR 0.38
23 KRHRKQRPMR 0.38
24 KRRRKYRKPR 0.39
25 KRPRKQRKIR 0.39
26 KRPRKQRKPP 0.42
27 KRHRKQRWMR 0.42
28 KRPRKQRPIR 0.43
29 KRRRKYRPPR 0.43
30 KRHRKYRKPR 0.44
31 KRPRKQRKPH 0.45
32 KRRRKYRKMR 0.45
33 KRPRKQRPPP 0.46
34 KRPRKQRWIR 0.47
35 KRRRKYRWPR 0.47
36 KRHRKYRPPR 0.48
37 KRPRKQRKMP 0.48
38 KRPRKQRPPH 0.49
39 KRRRKYRPMR 0.49
40 KRPRKQRWPP 0.5
41 KRHRKYRKMR 0.5
42 KRPRKQRKMH 0.51
43 KRPRKQRPMP 0.52
44 KRHRKYRWPR 0.52
45 KRPRKQRWPH 0.53
46 KRRRKYRWMR 0.53
47 KRHRKYRPMR 0.54
48 KRPRKQRPMH 0.55
49 KRPRKYRKIR 0.55
50 KRPRKQRWMP 0.56
51 KRPRKYRKPP 0.58
52 KRHRKYRWMR 0.58
53 KRPRKQRWMH 0.59
54 KRPRKYRPIR 0.59
55 KRPRKYRKPH 0.61
56 KRPRKYRPPP 0.62
57 KRRRKQRKIR 0.63
58 KRPRKYRWIR 0.63
59 KRPRKYRKMP 0.64
60 KRPRKYRPPH 0.65
61 KRPRKYRWPP 0.66
62 KRRRKQRKPP 0.66
63 KRHRKQRKIR 0.67
64 KRRRKQRPIR 0.67
65 KRPRKYRKMH 0.67
66 KRPRKYRPMP 0.68
67 KRPRKYRWPH 0.69
68 KRRRKQRKPH 0.69
69 KRHRKQRKPP 0.7
70 KRRRKQRPPP 0.7
71 KRPRKYRPMH 0.71
72 KRHRKQRPIR 0.71
73 KRRRKQRWIR 0.71
74 KRRRKQRKMP 0.72
75 KRPRKYRWMP 0.72
76 KRHRKQRKPH 0.73
77 KRRRKQRPPH 0.73
78 KRHRKQRPPP 0.74
79 KRRRKQRWPP 0.74
80 KRHRKQRWIR 0.75
81 KRRRKQRKMH 0.75
82 KRPRKYRWMH 0.75
83 KRHRKQRKMP 0.76
84 KRRRKQRPMP 0.76
85 KRHRKQRPPH 0.77
86 KRRRKQRWPH 0.77
87 KRHRKQRWPP 0.78
88 KRRRKQRPMH 0.79
89 KRRRKYRKIR 0.79
90 KRHRKQRKMH 0.79
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KRRRKYRKPR

9.29

-15.23

-5.94
2 KRRRKYRPPR

8.52

-14.23

-5.71
3 KRHRKQRKPR

8.58

-14.14

-5.56
4 KRPRKYRPMR

7.66

-12.91

-5.25
5 KRRRKQRWMR

7.99

-12.38

-4.39
6 KRPRKYRWMR

8.71

-12.45

-3.74
7 KRHRKQRPMR

7.38

-9.94

-2.56
8 KRHRKQRPPR

7.56

-9.94

-2.38
9 KRRRKQRPPR

6.39

-8.67

-2.28
10 KRHRKQRKMR

7.78

-9.79

-2.01
11 KRPRKQRKPR

7.45

-9.24

-1.79
12 KRRRKQRKMR

8.1

-9.45

-1.35
13 KRPRKQRKIR

8.04

-9.08

-1.04
14 KRHRKQRWMR

6.98

-8.01

-1.03
15 KRPRKYRPPR

9.03

-9.96

-0.93
16 KRPRKQRWMR

7.38

-8.26

-0.88
17 KRPRKQRPPR

7.11

-7.84

-0.73
18 KRPRKYRWPR

9.39

-9.97

-0.58
19 KRHRKYRKPR

9.07

-9.46

-0.39
20 KRPRKQRWPR

8.98

-9.33

-0.35
21 KRRRKQRKPR

8.62

-8.96

-0.34
22 KRHRKQRWPR

8.75

-9.03

-0.28
23 KRRRKQRWPR

10.82

-11.07

-0.25
24 KRPRKQRPMR

7.39

-7.19

0.2
25 KRPRKYRKPR

9.52

-9.2

0.32
26 KRPRKQRKMR

9.92

-9.29

0.63
27 KRPRKQRKPP

8.79

-7.91

0.88
28 KRPRKYRKMR

9.88

-8.85

1.03
29 KRRRKQRPMR

8.76

-7.67

1.09
30 KRPRKQRPIR

9.7

-8.46

1.24

 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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