Predicted ligand sequences (modelled structure)


ADAN-name: SHO1_2VKN-14.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
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 0.345 ΔGbinding -2.128
TOTAL
 -1.783
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.134
Van der Waals -4.063 Backbone clash 0.128
Electrostatics 0.229 Helix dipole 0.000
Solvation Polar 4.435 Water bridges -0.021
Solvation Hyd -5.896 Disulfide 0.000
VdW clashes 0.055 Electrost. Kon 0.146
Entropy sc 0.698 Part.cov.bonds 0.000
Entropy mc

4.704

 ΔGstability

9.495
       

Predicted ligand sequences for model [SHO1_2VKN-14.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-14.PDB  

(data)
# Predicted Sequences Value Calculate
1 WPFRIRRLF 0.0
2 WPPRIRRLF 0.02
3 WPYRIRRLF 0.07
4 WPFRIRKLF 0.12
5 WPPRIRKLF 0.14
6 MPFRIRRLF 0.16
7 MPPRIRRLF 0.19
8 WPYRIRKLF 0.19
9 WPFRIRWLF 0.23
10 MPYRIRRLF 0.24
11 WPPRIRWLF 0.25
12 WPFRIRRLW 0.26
13 MPFRIRKLF 0.28
14 WPPRIRRLW 0.29
15 WPFRIRRCF 0.3
16 WPYRIRWLF 0.3
17 MPPRIRKLF 0.31
18 WPPRIRRCF 0.33
19 WPFIIRRLF 0.33
20 WPYRIRRLW 0.34
21 WPPIIRRLF 0.35
22 MPYRIRKLF 0.36
23 WPFRIRKLW 0.38
24 WPYRIRRCF 0.38
25 MPFRIRWLF 0.39
26 WPYIIRRLF 0.4
27 MPPRIRWLF 0.41
28 WPPRIRKLW 0.41
29 WPFRIRRDF 0.42
30 WPFRIRKCF 0.42
31 MPFRIRRLW 0.43
32 WPFRWRRLF 0.44
33 WPPRIRRDF 0.44
34 MPPRIRRLW 0.45
35 WPFIIRKLF 0.45
36 WPPRIRKCF 0.45
37 MPYRIRWLF 0.46
38 WPYRIRKLW 0.46
39 MPFRIRRCF 0.47
40 WPPIIRKLF 0.47
41 WPPRWRRLF 0.47
42 MPPRIRRCF 0.49
43 MPFIIRRLF 0.49
44 WPFRIRWLW 0.49
45 WPYRIRRDF 0.49
46 MPYRIRRLW 0.5
47 WPYRIRKCF 0.5
48 WPYRWRRLF 0.51
49 MPPIIRRLF 0.51
50 WPYIIRKLF 0.52
51 WPPRIRWLW 0.52
52 WPFRIRWCF 0.53
53 MPYRIRRCF 0.54
54 WPFRIRKDF 0.54
55 WPFIIRWLF 0.55
56 MPFRIRKLW 0.55
57 WPPRIRKDF 0.56
58 MPYIIRRLF 0.56
59 WPPRIRWCF 0.56
60 WPYRIRWLW 0.56
61 WPFRWRKLF 0.56
62 MPPRIRKLW 0.57
63 WPFRIRRCW 0.57
64 MPFRIRRDF 0.58
65 WPPRWRKLF 0.58
66 WPPIIRWLF 0.58
67 WPPRIRRCW 0.59
68 MPFRIRKCF 0.59
69 WPFIIRRLW 0.59
70 MPFRWRRLF 0.6
71 MPPRIRRDF 0.6
72 WPYRIRWCF 0.6
73 WPYRIRKDF 0.61
74 MPFIIRKLF 0.61
75 WPPIIRRLW 0.61
76 MPPRIRKCF 0.61
77 MPYRIRKLW 0.62
78 MPPIIRKLF 0.63
79 WPYIIRWLF 0.63
80 WPYRWRKLF 0.63
81 WPFIIRRCF 0.63
82 MPPRWRRLF 0.63
83 WPFRIRWDF 0.64
84 WPYRIRRCW 0.64
85 MPYRIRRDF 0.65
86 MPFRIRWLW 0.65
87 MPYRIRKCF 0.66
88 WPPIIRRCF 0.66
89 WPYIIRRLW 0.66
90 WPPRIRWDF 0.67
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 MPPRIRWLF

2.31

-15.1

-12.79
2 MPPRIRKLF

2.5

-14.06

-11.56
3 MPPRIRRLF

2.4

-13.2

-10.8
4 WPYRIRRLF

4.16

-14.74

-10.58
5 MPFRIRWLF

3.23

-13.77

-10.54
6 MPFRIRRLF

2.89

-13.3

-10.41
7 WPYRIRKLF

3.97

-14.36

-10.39
8 WPPRIRRCF

4.05

-14.4

-10.35
9 MPFRIRKLF

3.36

-13.5

-10.14
10 WPFRIRRLW

2.61

-12.64

-10.03
11 MPYRIRRLF

2.61

-12.64

-10.03
12 WPFRIRRLF

3.25

-13.16

-9.91
13 WPPRIRWLF

2.93

-12.75

-9.82
14 MPYRIRKLF

3.42

-13.24

-9.82
15 WPPRIRKLW

3.1

-12.85

-9.75
16 WPPRIRRLF

4.31

-13.98

-9.67
17 WPPRIRKLF

1.69

-11.18

-9.49
18 WPFRIRRCF

3.44

-12.91

-9.47
19 WPFIIRRLF

3.77

-13.23

-9.46
20 WPYRIRRCF

3.31

-12.55

-9.24
21 WPFRIRKLW

3.65

-12.78

-9.13
22 WPFRIRKLF

3.86

-12.73

-8.87
23 WPFRIRRDF

3.98

-12.75

-8.77
24 WPPRIRRLW

2.93

-11.64

-8.71
25 WPPIIRRLF

3.56

-12.15

-8.59
26 WPFRIRWLF

3.47

-12.0

-8.53
27 WPYRIRWLF

3.04

-11.52

-8.48
28 WPYRIRRLW

2.67

-11.04

-8.37
29 WPYIIRRLF

3.3

-11.38

-8.08
30 WPFRIRKCF

3.49

-10.98

-7.49

 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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