Predicted ligand sequences (modelled structure)


ADAN-name: HSE1_1OEB-19.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 5.727 ΔGbinding -0.245
TOTAL
 5.482
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.967
Van der Waals -5.296 Backbone clash 0.002
Electrostatics 0.389 Helix dipole 0.000
Solvation Polar 5.442 Water bridges -0.075
Solvation Hyd -7.533 Disulfide 0.000
VdW clashes 1.988 Electrost. Kon 0.395
Entropy sc 1.058 Part.cov.bonds 0.000
Entropy mc

4.970

 ΔGstability

52.828
       

Predicted ligand sequences for model [HSE1_1OEB-19.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-19.PDB  

(data)
# Predicted Sequences Value Calculate
1 SPLRNGKHM 0.0
2 SPLRNGRHM 0.04
3 SPLMNGKHM 0.04
4 SPLMNGRHM 0.08
5 SPLRRGKHM 0.1
6 SPWRNGKHM 0.11
7 SPRRNGKHM 0.13
8 SPLRRGRHM 0.14
9 SPLMRGKHM 0.14
10 SPWRNGRHM 0.15
11 SPWMNGKHM 0.16
12 SPRRNGRHM 0.17
13 SPLMRGRHM 0.18
14 SPRMNGKHM 0.18
15 SPWMNGRHM 0.2
16 SPWRRGKHM 0.21
17 SPRMNGRHM 0.22
18 SPRRRGKHM 0.23
19 SPWMRGKHM 0.25
20 SPWRRGRHM 0.25
21 SPRMRGKHM 0.27
22 SPRRRGRHM 0.27
23 SPWMRGRHM 0.29
24 SPRMRGRHM 0.31
25 SDLRNGKHM 0.34
26 SPLRPGKHM 0.36
27 SDLRNGRHM 0.38
28 SDLMNGKHM 0.38
29 SPLRPGRHM 0.4
30 SPLMPGKHM 0.4
31 SDLMNGRHM 0.42
32 SPLMPGRHM 0.44
33 SDLRRGKHM 0.44
34 SDWRNGKHM 0.45
35 SVLRNGKHM 0.45
36 SPLPNGKHM 0.47
37 SPWRPGKHM 0.47
38 SDRRNGKHM 0.47
39 SDLMRGKHM 0.48
40 SDLRRGRHM 0.48
41 SVLRNGRHM 0.48
42 SPLRNGHHM 0.48
43 SPRRPGKHM 0.49
44 SVLMNGKHM 0.49
45 KPLRNGKHM 0.49
46 SDWRNGRHM 0.49
47 SDWMNGKHM 0.5
48 SPWRPGRHM 0.51
49 SPLPNGRHM 0.51
50 SDRRNGRHM 0.51
51 SDRMNGKHM 0.52
52 SDLMRGRHM 0.52
53 SPWMPGKHM 0.52
54 SVLMNGRHM 0.53
55 SPLMNGHHM 0.53
56 KPLMNGKHM 0.53
57 SPRRPGRHM 0.53
58 KPLRNGRHM 0.53
59 SVLRRGKHM 0.54
60 SDWMNGRHM 0.54
61 SPRMPGKHM 0.54
62 SDWRRGKHM 0.55
63 SVWRNGKHM 0.56
64 SPWMPGRHM 0.56
65 SPLPRGKHM 0.56
66 SDRMNGRHM 0.56
67 SDRRRGKHM 0.57
68 KPLMNGRHM 0.57
69 SPRMPGRHM 0.58
70 SPLRRGHHM 0.58
71 SPWPNGKHM 0.58
72 KPLRRGKHM 0.58
73 SVRRNGKHM 0.58
74 SVLRRGRHM 0.58
75 SDWRRGRHM 0.59
76 SPWRNGHHM 0.59
77 SDWMRGKHM 0.59
78 SVLMRGKHM 0.59
79 SVWMNGKHM 0.6
80 KPWRNGKHM 0.6
81 SPLPRGRHM 0.6
82 SPRPNGKHM 0.6
83 SVWRNGRHM 0.6
84 SDRRRGRHM 0.61
85 SDRMRGKHM 0.61
86 SPRRNGHHM 0.61
87 SPLMRGHHM 0.62
88 SVRMNGKHM 0.62
89 SPWPNGRHM 0.62
90 KPRRNGKHM 0.62
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 SDLRNGRHM

5.43

-10.65

-5.22
2 SDLRNGKHM

4.44

-9.34

-4.9
3 SPRRNGRHM

4.37

-9.09

-4.72
4 SPRRRGKHM

4.3

-8.96

-4.66
5 SPWRNGKHM

4.62

-9.13

-4.51
6 SPLRPGKHM

4.51

-9.01

-4.5
7 SDLMNGKHM

4.39

-8.6

-4.21
8 SPWRRGKHM

4.33

-8.31

-3.98
9 SPLRRGKHM

4.93

-8.89

-3.96
10 SPWRRGRHM

4.36

-8.31

-3.95
11 SPLRPGRHM

5.94

-9.88

-3.94
12 SPRMRGKHM

4.18

-8.12

-3.94
13 SPWRNGRHM

4.26

-8.19

-3.93
14 SPLRRGRHM

4.48

-8.25

-3.77
15 SPLMNGRHM

4.23

-7.89

-3.66
16 SPLMNGKHM

4.37

-8.0

-3.63
17 SPLRNGRHM

5.19

-8.82

-3.63
18 SPLMPGKHM

4.27

-7.88

-3.61
19 SPLRNGKHM

4.6

-7.94

-3.34
20 SPWMNGRHM

4.63

-7.95

-3.32
21 SPRMRGRHM

4.39

-7.71

-3.32
22 SPRRRGRHM

4.54

-7.77

-3.23
23 SPLMRGRHM

4.64

-7.82

-3.18
24 SPRRNGKHM

4.85

-8.03

-3.18
25 SPRMNGRHM

4.95

-8.12

-3.17
26 SPWMNGKHM

4.96

-8.11

-3.15
27 SPLMRGKHM

4.6

-7.58

-2.98
28 SPWMRGKHM

4.88

-7.6

-2.72
29 SPWMRGRHM

4.66

-7.31

-2.65
30 SPRMNGKHM

5.32

-7.6

-2.28

 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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