Predicted ligand sequences (modelled structure)


ADAN-name: HSE1_1SEM-27.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
G
 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 2.723 ΔGbinding -1.974
TOTAL
 0.749
Backbone Hb -0.888 Cis_bond 0.000
Sidechain Hb -0.888 Torsional clash 0.180
Van der Waals -4.125 Backbone clash 0.237
Electrostatics -0.279 Helix dipole 0.000
Solvation Polar 5.486 Water bridges -0.038
Solvation Hyd -5.416 Disulfide 0.000
VdW clashes 1.553 Electrost. Kon -0.314
Entropy sc 0.591 Part.cov.bonds 0.000
Entropy mc

2.162

 ΔGstability

29.591
       

Predicted ligand sequences for model [HSE1_1SEM-27.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_1SEM-27.PDB  

(data)
# Predicted Sequences Value Calculate
1 RHRHRWRRK 0.0
2 RHRHRPRRK 0.12
3 RHRHRWRRW 0.13
4 RHRHRWRRR 0.13
5 RHRHRDRRK 0.15
6 RHRYRWRRK 0.19
7 RHHHRWRRK 0.23
8 RHFHRWRRK 0.23
9 RHRHRPRRW 0.25
10 RHRHRPRRR 0.25
11 RHRHRDRRR 0.28
12 RHRHRDRRW 0.28
13 RHRYRPRRK 0.31
14 RHRYRWRRR 0.32
15 RHRYRWRRW 0.32
16 RHHHRWRRW 0.35
17 RHHHRWRRR 0.35
18 RHRYRDRRK 0.35
19 RHHHRPRRK 0.35
20 RHFHRPRRK 0.36
21 RHFHRWRRW 0.36
22 RHFHRWRRR 0.36
23 RRRHRWRRK 0.37
24 RHHHRDRRK 0.38
25 RHFHRDRRK 0.39
26 RHHYRWRRK 0.42
27 RHFYRWRRK 0.43
28 RHRYRPRRR 0.44
29 RHRYRPRRW 0.44
30 RHRYRDRRW 0.47
31 RHRYRDRRR 0.47
32 RHFHRPRRR 0.48
33 RHFHRPRRW 0.48
34 RHHHRPRRW 0.48
35 RHHHRPRRR 0.48
36 RRRHRPRRK 0.49
37 RRRHRWRRR 0.5
38 RRRHRWRRW 0.5
39 RHHHRDRRR 0.51
40 RHHHRDRRW 0.51
41 RHFHRDRRW 0.52
42 RHFHRDRRR 0.52
43 RRRHRDRRK 0.53
44 RHHYRPRRK 0.54
45 RHFYRPRRK 0.55
46 RHHYRWRRR 0.55
47 RHFYRWRRW 0.55
48 RHHYRWRRW 0.55
49 RHFYRWRRR 0.55
50 RRRYRWRRK 0.56
51 RHHYRDRRK 0.57
52 RHFYRDRRK 0.58
53 RRHHRWRRK 0.6
54 RRFHRWRRK 0.6
55 RRRHRPRRR 0.62
56 RRRHRPRRW 0.62
57 RRRHRDRRW 0.65
58 RRRHRDRRR 0.65
59 RHHYRPRRW 0.67
60 RHHYRPRRR 0.67
61 RHFYRPRRW 0.68
62 RHFYRPRRR 0.68
63 RRRYRPRRK 0.68
64 RRRYRWRRW 0.69
65 RRRYRWRRR 0.69
66 RHHYRDRRR 0.7
67 RHHYRDRRW 0.7
68 RHFYRDRRR 0.71
69 RHFYRDRRW 0.71
70 RRHHRPRRK 0.72
71 RRHHRWRRW 0.72
72 RRHHRWRRR 0.72
73 RRRYRDRRK 0.72
74 RRFHRWRRW 0.73
75 RRFHRWRRR 0.73
76 RRFHRPRRK 0.73
77 RRHHRDRRK 0.75
78 RRFHRDRRK 0.76
79 RRFYRWRRK 0.79
80 RRHYRWRRK 0.79
81 RRRYRPRRR 0.81
82 RRRYRPRRW 0.81
83 RRRYRDRRW 0.84
84 RRRYRDRRR 0.84
85 RRHHRPRRW 0.85
86 RRHHRPRRR 0.85
87 RRFHRPRRW 0.85
88 RRFHRPRRR 0.85
89 RRHHRDRRW 0.88
90 RRHHRDRRR 0.88
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RHHHRWRRR

6.62

-10.71

-4.09
2 RHRHRWRRK

6.31

-10.2

-3.89
3 RHRHRPRRR

6.79

-10.62

-3.83
4 RHRHRPRRK

6.59

-9.9

-3.31
5 RHRHRDRRK

6.08

-9.18

-3.1
6 RHRHRWRRR

7.5

-10.6

-3.1
7 RHFHRPRRK

6.17

-8.66

-2.49
8 RHHHRPRRK

6.78

-9.07

-2.29
9 RHHHRWRRK

6.41

-8.7

-2.29
10 RHFHRWRRR

6.08

-8.03

-1.95
11 RHRHRDRRW

7.24

-9.18

-1.94
12 RHHHRWRRW

6.39

-8.29

-1.9
13 RRRHRWRRK

6.51

-8.28

-1.77
14 RHHHRDRRK

5.55

-7.22

-1.67
15 RHRHRPRRW

7.85

-9.51

-1.66
16 RHRYRWRRR

6.77

-8.23

-1.46
17 RHFHRDRRK

7.21

-8.48

-1.27
18 RHFHRWRRW

4.97

-6.11

-1.14
19 RHFHRWRRK

7.14

-7.95

-0.81
20 RHHYRWRRK

6.57

-7.31

-0.74
21 RHRHRDRRR

7.08

-7.79

-0.71
22 RHRYRWRRK

6.87

-7.44

-0.57
23 RHRYRDRRK

6.64

-7.18

-0.54
24 RHRYRDRRW

7.06

-7.35

-0.29
25 RHRHRWRRW

7.41

-7.45

-0.04
26 RHRYRPRRR

8.38

-8.11

0.27
27 RHRYRPRRK

5.84

-5.52

0.32
28 RHRYRWRRW

6.79

-6.14

0.65
29 RHFYRWRRK

5.88

-4.53

1.35
30 RHRYRPRRW

7.21

-5.62

1.59

 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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