Predicted ligand sequences (modelled structure)


ADAN-name: SHO1_2VKN-20.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 1.165 ΔGbinding -2.585
TOTAL
 -1.420
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.196
Van der Waals -4.927 Backbone clash 0.109
Electrostatics 0.302 Helix dipole 0.000
Solvation Polar 5.788 Water bridges -0.097
Solvation Hyd -6.599 Disulfide 0.000
VdW clashes 1.251 Electrost. Kon 0.078
Entropy sc 1.045 Part.cov.bonds 0.000
Entropy mc

2.929

 ΔGstability

8.951
       

Predicted ligand sequences for model [SHO1_2VKN-20.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).
 
  SHO1_2VKN-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 WPPRNGRHM 0.0
2 WPPRFGRHM 0.0
3 WPPRNGRHR 0.02
4 WPPRFGRHR 0.02
5 WPPRRGRHM 0.02
6 WPPRRGRHR 0.04
7 WPPRFGRWM 0.04
8 WPPRNGRWM 0.04
9 WPPRRGRWM 0.06
10 WPPRFGRWR 0.06
11 WPPRNGRWR 0.06
12 WPPRRGRWR 0.08
13 WPPRNGRHI 0.11
14 WPPRFGRHI 0.11
15 WPPKNGRHM 0.12
16 WPPKFGRHM 0.12
17 WPPRRGRHI 0.13
18 WPPKNGRHR 0.14
19 WPPKFGRHR 0.14
20 WPPKRGRHM 0.14
21 WPPRFGRWI 0.14
22 WPPRNGRWI 0.14
23 WPPKFGRWM 0.16
24 WPPKRGRHR 0.16
25 WPPKNGRWM 0.16
26 WPPRRGRWI 0.17
27 WPPKFGRWR 0.18
28 WPPKRGRWM 0.18
29 WPPKNGRWR 0.18
30 WPRRFGRHM 0.19
31 WPRRNGRHM 0.19
32 WPKRFGRHM 0.2
33 WPKRNGRHM 0.2
34 WPPKRGRWR 0.2
35 WPRRFGRHR 0.21
36 WPRRNGRHR 0.21
37 WPRRRGRHM 0.21
38 WPPKNGRHI 0.22
39 WPKRFGRHR 0.22
40 WPPKFGRHI 0.22
41 WPKRRGRHM 0.22
42 WPKRNGRHR 0.22
43 WPRRFGRWM 0.23
44 WPRRNGRWM 0.23
45 WPRRRGRHR 0.23
46 WPKRNGRWM 0.24
47 WPKRRGRHR 0.24
48 WPKRFGRWM 0.24
49 WPRRFGRWR 0.25
50 FPPRFGRHM 0.25
51 FPPRNGRHM 0.25
52 WPPKRGRHI 0.25
53 WPRRNGRWR 0.25
54 WPRRRGRWM 0.25
55 WPKRNGRWR 0.26
56 WPPKFGRWI 0.26
57 WPKRRGRWM 0.26
58 WPKRFGRWR 0.26
59 WPPKNGRWI 0.26
60 FPPRRGRHM 0.27
61 WPRRRGRWR 0.27
62 FPPRFGRHR 0.28
63 FPPRNGRHR 0.28
64 WPKRRGRWR 0.28
65 WPPKRGRWI 0.28
66 FPPRFGRWM 0.29
67 WPRRFGRHI 0.29
68 FPPRNGRWM 0.29
69 WPRRNGRHI 0.29
70 FPPRRGRHR 0.3
71 FPPRFGRWR 0.31
72 WPKRFGRHI 0.31
73 FPPRRGRWM 0.31
74 WPRKNGRHM 0.31
75 WPKRNGRHI 0.31
76 WPRKFGRHM 0.31
77 FPPRNGRWR 0.31
78 WRPRNGRHM 0.32
79 WPKKFGRHM 0.32
80 WRPRFGRHM 0.32
81 WPKKNGRHM 0.32
82 WPRRRGRHI 0.32
83 FPPRRGRWR 0.33
84 WPRRFGRWI 0.33
85 WPKRRGRHI 0.33
86 WPRKNGRHR 0.33
87 WPRKFGRHR 0.33
88 WPRKRGRHM 0.33
89 WPRRNGRWI 0.33
90 WRPRNGRHR 0.34
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 WPPRFGRHM

1.98

-15.13

-13.15
2 WPRRFGRHM

2.57

-15.71

-13.14
3 WPPRFGRHI

1.72

-14.86

-13.14
4 WPPRFGRWM

1.86

-14.51

-12.65
5 WPPRFGRHR

2.21

-14.78

-12.57
6 WPPRRGRHI

1.66

-14.2

-12.54
7 WPPRRGRHR

2.35

-14.57

-12.22
8 WPPRNGRHI

1.85

-13.8

-11.95
9 WPPRNGRHM

1.73

-13.61

-11.88
10 WPPRRGRWM

1.99

-13.56

-11.57
11 WPPRRGRHM

1.77

-13.23

-11.46
12 WPPRNGRWM

1.72

-12.96

-11.24
13 WPPKRGRHM

2.05

-13.28

-11.23
14 WPPRFGRWR

2.79

-13.85

-11.06
15 WPPRFGRWI

2.49

-13.52

-11.03
16 WPPRRGRWI

1.8

-12.77

-10.97
17 WPPRNGRWI

2.4

-13.12

-10.72
18 WPPRNGRWR

2.05

-12.64

-10.59
19 WPPKFGRWM

2.05

-12.6

-10.55
20 WPPKFGRHR

2.12

-12.64

-10.52
21 WPPRRGRWR

2.44

-12.89

-10.45
22 WPPKRGRHR

2.9

-13.32

-10.42
23 WPPKFGRWR

1.99

-12.34

-10.35
24 WPPKRGRWM

2.18

-12.48

-10.3
25 WPPRNGRHR

1.97

-12.27

-10.3
26 WPPKFGRHM

1.95

-12.12

-10.17
27 WPPKNGRHR

2.01

-11.8

-9.79
28 WPPKNGRHM

1.67

-11.44

-9.77
29 WPPKNGRWM

1.66

-10.89

-9.23
30 WPPKNGRWR

2.34

-10.64

-8.3

 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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