Predicted ligand sequences (modelled structure)


ADAN-name: RVS167_FMK-SSH-8.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala
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 0.551 ΔGbinding -2.325
TOTAL
 -1.774
Backbone Hb -1.913 Cis_bond 0.000
Sidechain Hb -1.912 Torsional clash 0.820
Van der Waals -3.994 Backbone clash 0.006
Electrostatics 0.182 Helix dipole 0.000
Solvation Polar 4.689 Water bridges -0.092
Solvation Hyd -5.025 Disulfide 0.000
VdW clashes 0.484 Electrost. Kon 0.220
Entropy sc 1.038 Part.cov.bonds 0.000
Entropy mc

3.180

 ΔGstability

22.643
       

Predicted ligand sequences for model [RVS167_FMK-SSH-8.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).
 
  RVS167_FMK-SSH-8.PDB  

(data)
# Predicted Sequences Value Calculate
1 RWPRLPRF 0.0
2 FWPRLPRF 0.02
3 HWPRLPRF 0.02
4 RWPRLPPF 0.04
5 HWPRLPPF 0.05
6 FWPRLPPF 0.05
7 RWPRLPKF 0.19
8 HWPRLPKF 0.21
9 FWPRLPKF 0.21
10 RWDRLPRF 0.29
11 FWDRLPRF 0.31
12 HWDRLPRF 0.31
13 RWHRLPRF 0.31
14 RWDRLPPF 0.32
15 FWHRLPRF 0.33
16 HWHRLPRF 0.33
17 FWDRLPPF 0.34
18 HWDRLPPF 0.34
19 RWHRLPPF 0.34
20 FWHRLPPF 0.36
21 HWHRLPPF 0.36
22 RWPRMPRF 0.37
23 RWPRLPRY 0.38
24 HWPRMPRF 0.39
25 FWPRMPRF 0.39
26 FWPRLPRY 0.4
27 HWPRLPRY 0.4
28 RWPRMPPF 0.41
29 RWPRLPPY 0.41
30 RWPRRPRF 0.42
31 HWPRLPPY 0.43
32 HWPRMPPF 0.43
33 FWPRLPPY 0.43
34 FWPRMPPF 0.43
35 FWPRRPRF 0.44
36 HWPRRPRF 0.44
37 RWPRLPRM 0.46
38 RWPRRPPF 0.46
39 FWPRLPRM 0.48
40 FWPRRPPF 0.48
41 HWPRLPRM 0.48
42 HWPRRPPF 0.48
43 RWDRLPKF 0.48
44 FWDRLPKF 0.5
45 HWDRLPKF 0.5
46 RWHRLPKF 0.5
47 RWPRLPPM 0.5
48 HWPRLPPM 0.52
49 HWHRLPKF 0.52
50 FWHRLPKF 0.52
51 FWPRLPPM 0.52
52 RWPRMPKF 0.56
53 RWPRLPKY 0.57
54 FWPRMPKF 0.58
55 HWPRMPKF 0.58
56 HWPRLPKY 0.59
57 FWPRLPKY 0.59
58 RWPRRPKF 0.61
59 HWPRRPKF 0.63
60 FWPRRPKF 0.63
61 RWPRLPKM 0.65
62 RWDRMPRF 0.66
63 HWPRLPKM 0.67
64 FWPRLPKM 0.67
65 RWDRLPRY 0.67
66 FWDRMPRF 0.68
67 HWDRMPRF 0.68
68 RWHRMPRF 0.68
69 HWDRLPRY 0.69
70 FWDRLPRY 0.69
71 RWHRLPRY 0.69
72 RWDRLPPY 0.7
73 HWHRMPRF 0.7
74 FWHRMPRF 0.7
75 RWDRMPPF 0.7
76 HWHRLPRY 0.71
77 FWHRLPRY 0.71
78 RWDRRPRF 0.71
79 FWDRLPPY 0.72
80 HWDRLPPY 0.72
81 HWDRMPPF 0.72
82 RWHRLPPY 0.72
83 RWHRMPPF 0.72
84 FWDRMPPF 0.72
85 RWHRRPRF 0.73
86 FWDRRPRF 0.73
87 HWDRRPRF 0.73
88 FWHRMPPF 0.74
89 HWHRLPPY 0.74
90 FWHRLPPY 0.74
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RWPRLPRF

3.77

-12.92

-9.15
2 RWPRMPRF

3.33

-11.96

-8.63
3 RWPRRPRF

3.64

-11.69

-8.05
4 FWPRLPRY

3.66

-11.7

-8.04
5 RWPRLPPF

3.56

-11.26

-7.7
6 FWPRLPKF

3.53

-11.22

-7.69
7 HWPRLPKF

3.04

-10.43

-7.39
8 HWPRMPRF

3.41

-10.74

-7.33
9 FWPRLPRF

3.51

-10.79

-7.28
10 HWHRLPRF

2.85

-10.08

-7.23
11 FWHRLPPF

2.69

-9.89

-7.2
12 RWDRLPRF

3.66

-10.84

-7.18
13 RWPRMPPF

3.3

-10.22

-6.92
14 RWHRLPRF

3.63

-10.41

-6.78
15 RWPRLPRY

3.54

-10.24

-6.7
16 HWDRLPRF

3.32

-9.91

-6.59
17 HWPRLPPF

3.41

-9.74

-6.33
18 FWPRLPPF

3.31

-9.63

-6.32
19 FWHRLPRF

2.54

-8.78

-6.24
20 FWDRLPRF

3.69

-9.91

-6.22
21 HWPRLPRY

4.25

-10.34

-6.09
22 RWPRLPPY

3.41

-9.36

-5.95
23 RWHRLPPF

2.49

-8.43

-5.94
24 RWPRLPKF

3.31

-9.14

-5.83
25 HWPRLPRF

3.63

-9.4

-5.77
26 HWDRLPPF

2.89

-8.58

-5.69
27 FWDRLPPF

2.76

-8.4

-5.64
28 RWDRLPPF

2.71

-8.14

-5.43
29 FWPRMPRF

2.75

-7.92

-5.17
30 HWHRLPPF

2.72

-7.79

-5.07

 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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