Predicted ligand sequences (modelled structure)


ADAN-name: SHO1_2VKN-26.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 0.262 ΔGbinding -2.102
TOTAL
 -1.840
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.378
Van der Waals -3.674 Backbone clash -0.000
Electrostatics 0.236 Helix dipole 0.000
Solvation Polar 3.657 Water bridges -0.054
Solvation Hyd -5.003 Disulfide 0.000
VdW clashes 0.372 Electrost. Kon 0.219
Entropy sc 0.500 Part.cov.bonds 0.000
Entropy mc

2.543

 ΔGstability

7.398
       

Predicted ligand sequences for model [SHO1_2VKN-26.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-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 DDRPRRFPR 0.0
2 DDRPRRFER 0.02
3 DDRFRRFPR 0.03
4 DDRFRRFER 0.04
5 DRRPRRFPR 0.04
6 DDMPRRFPR 0.05
7 DRRPRRFER 0.05
8 DDMPRRFER 0.06
9 DRRFRRFPR 0.06
10 DDMFRRFPR 0.07
11 DRRFRRFER 0.08
12 DRMPRRFPR 0.08
13 DDMFRRFER 0.09
14 DDRPRRFHR 0.1
15 DRMPRRFER 0.1
16 DRMFRRFPR 0.11
17 DRMFRRFER 0.13
18 DDRFRRFHR 0.13
19 DRRPRRFHR 0.14
20 DDMPRRFHR 0.15
21 DDRPKRFPR 0.17
22 DRRFRRFHR 0.17
23 DDRPKRFER 0.18
24 DDMFRRFHR 0.18
25 DRMPRRFHR 0.19
26 DDRFKRFPR 0.19
27 DDRPRRRPR 0.2
28 DRRPKRFPR 0.2
29 DRMFRRFHR 0.21
30 DDMPKRFPR 0.21
31 DDRFKRFER 0.21
32 DDRPRRRER 0.22
33 DRRPKRFER 0.22
34 DDRPHRFPR 0.22
35 DRRFKRFPR 0.23
36 DDMPKRFER 0.23
37 DDRPHRFER 0.23
38 DDRFRRRPR 0.23
39 DRRPRRRPR 0.24
40 DDRFHRFPR 0.24
41 DERPRRFPR 0.24
42 DDRPRRYPR 0.24
43 DDMFKRFPR 0.24
44 DDMPRRRPR 0.25
45 DDRFRRRER 0.25
46 DRRFKRFER 0.25
47 DRRPHRFPR 0.25
48 DRMPKRFPR 0.25
49 DDRFHRFER 0.26
50 DDMPHRFPR 0.26
51 DDRPRRYER 0.26
52 DDMFKRFER 0.26
53 DERPRRFER 0.26
54 DRRPRRRER 0.26
55 DDMPRRRER 0.27
56 DDRPKRFHR 0.27
57 DDRFRRYPR 0.27
58 DRMPKRFER 0.27
59 DRRFRRRPR 0.27
60 DRRPHRFER 0.27
61 DERFRRFPR 0.27
62 DRRFRRRER 0.28
63 DRRFHRFPR 0.28
64 DDMFRRRPR 0.28
65 DDMPHRFER 0.28
66 DRRPRRYPR 0.28
67 DRMFKRFPR 0.28
68 DDRFRRYER 0.29
69 DDMPRRYPR 0.29
70 DRMFKRFER 0.29
71 DERFRRFER 0.29
72 DRRPRRYER 0.29
73 DDMFRRRER 0.29
74 DEMPRRFPR 0.29
75 DDMFHRFPR 0.29
76 DRMPRRRPR 0.29
77 DRRFHRFER 0.3
78 DRMPHRFPR 0.3
79 DEMPRRFER 0.3
80 DRMPRRRER 0.3
81 DDRFKRFHR 0.3
82 DDMPRRYER 0.31
83 DDMFHRFER 0.31
84 DRRPKRFHR 0.31
85 DRMFRRRPR 0.31
86 DRRFRRYPR 0.31
87 DDRPRRRHR 0.31
88 DRMPHRFER 0.32
89 DEMFRRFPR 0.32
90 DDMPKRFHR 0.32
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DDRPRRFPR

1.22

-14.9

-13.68
2 DRRPRRFPR

1.29

-14.96

-13.67
3 DDMPRRFHR

1.43

-14.87

-13.44
4 DRRPKRFPR

1.21

-14.46

-13.25
5 DDMPRRFPR

1.6

-14.72

-13.12
6 DDRPRRRPR

1.48

-14.46

-12.98
7 DDMPKRFPR

1.3

-13.7

-12.4
8 DRMPRRFPR

1.19

-13.14

-11.95
9 DDMPRRFER

1.23

-13.17

-11.94
10 DDMFRRFPR

1.3

-13.12

-11.82
11 DDRPKRFPR

1.62

-13.42

-11.8
12 DRRPRRFER

1.24

-12.91

-11.67
13 DDRPRRFER

1.11

-12.63

-11.52
14 DDRPRRFHR

1.38

-12.86

-11.48
15 DDRFRRFHR

1.43

-12.64

-11.21
16 DRMPRRFHR

1.58

-12.77

-11.19
17 DRMPRRFER

1.19

-12.23

-11.04
18 DRRPRRFHR

1.54

-12.56

-11.02
19 DDMFRRFHR

1.6

-12.39

-10.79
20 DRRFRRFPR

1.26

-12.0

-10.74
21 DRRFRRFER

1.37

-12.03

-10.66
22 DDRFRRFER

1.35

-11.97

-10.62
23 DDRFKRFPR

1.32

-11.81

-10.49
24 DRRFRRFHR

1.24

-11.72

-10.48
25 DRMFRRFPR

1.07

-11.16

-10.09
26 DDRPKRFER

1.15

-11.04

-9.89
27 DDMFRRFER

1.16

-10.5

-9.34
28 DRMFRRFER

1.18

-10.22

-9.04
29 DDRFRRFPR

1.08

-9.93

-8.85
30 DRMFRRFHR

1.82

-10.41

-8.59

 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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