Predicted ligand sequences (modelled structure)


ADAN-name: RVS167_FYN-SSH-11.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7
poly-Ala
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 0.950 ΔGbinding -2.037
TOTAL
 -1.087
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.828
Van der Waals -3.302 Backbone clash 0.001
Electrostatics 0.130 Helix dipole 0.000
Solvation Polar 3.508 Water bridges -0.226
Solvation Hyd -4.287 Disulfide 0.000
VdW clashes 0.013 Electrost. Kon 0.121
Entropy sc 0.801 Part.cov.bonds 0.000
Entropy mc

2.925

 ΔGstability

31.520
       

Predicted ligand sequences for model [RVS167_FYN-SSH-11.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_FYN-SSH-11.PDB  

(data)
# Predicted Sequences Value Calculate
1 YDPIIRK 0.0
2 YPPIIRK 0.06
3 YRPIIRK 0.07
4 YDPIIRI 0.08
5 YPPIIRI 0.14
6 YDEIIRK 0.14
7 YRPIIRI 0.15
8 YDPIIPK 0.15
9 YDWIIRK 0.18
10 YPEIIRK 0.2
11 YREIIRK 0.21
12 YPPIIPK 0.21
13 YRPIIPK 0.22
14 YDEIIRI 0.22
15 YDPIIPI 0.23
16 YPWIIRK 0.24
17 YRWIIRK 0.25
18 YDPIIKK 0.25
19 YDWIIRI 0.26
20 YDPKIRK 0.27
21 YPEIIRI 0.28
22 YDEIIPK 0.28
23 YREIIRI 0.29
24 YPPIIPI 0.29
25 YRPIIPI 0.3
26 YPPIIKK 0.31
27 YRPIIKK 0.32
28 YDPIIKI 0.33
29 YDWIIPK 0.33
30 YRWIIRI 0.33
31 YPWIIRI 0.33
32 YRPKIRK 0.34
33 YPEIIPK 0.34
34 YPPKIRK 0.34
35 YREIIPK 0.35
36 YDEIIPI 0.36
37 YDPKIRI 0.36
38 YDPFIRK 0.37
39 YDEIIKK 0.38
40 YPWIIPK 0.39
41 YPPIIKI 0.39
42 YRWIIPK 0.4
43 YRPIIKI 0.4
44 YDWIIPI 0.41
45 YDEKIRK 0.41
46 YDPKIPK 0.42
47 YPPKIRI 0.42
48 YRPKIRI 0.43
49 YREIIPI 0.43
50 YPPFIRK 0.43
51 YPEIIPI 0.43
52 YDWIIKK 0.43
53 YRPFIRK 0.44
54 YPEIIKK 0.45
55 YREIIKK 0.45
56 YDPFIRI 0.45
57 YDWKIRK 0.45
58 YPWIIPI 0.47
59 YDEIIKI 0.47
60 YPEKIRK 0.47
61 YREKIRK 0.48
62 YRWIIPI 0.48
63 YPPKIPK 0.48
64 YDEKIRI 0.49
65 YRPKIPK 0.49
66 YPWIIKK 0.49
67 YDPKIPI 0.5
68 YRWIIKK 0.5
69 YDEFIRK 0.5
70 YDPFIPK 0.51
71 YPPFIRI 0.51
72 YDWIIKI 0.51
73 YPWKIRK 0.52
74 YRPFIRI 0.52
75 YRWKIRK 0.52
76 YDPKIKK 0.52
77 YPEIIKI 0.53
78 YREIIKI 0.54
79 YDWKIRI 0.54
80 YPEKIRI 0.55
81 YDWFIRK 0.55
82 YREKIRI 0.56
83 YPPKIPI 0.56
84 YDEKIPK 0.56
85 YPEFIRK 0.56
86 YRPKIPI 0.57
87 YPPFIPK 0.57
88 YREFIRK 0.57
89 YPWIIKI 0.57
90 YRWIIKI 0.58
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 YPEIIRI

1.74

-10.71

-8.97
2 YPPIIRK

1.72

-10.46

-8.74
3 YPPIIRI

2.16

-10.88

-8.72
4 YPEIIRK

1.49

-10.07

-8.58
5 YRPIIRK

2.01

-10.33

-8.32
6 YDEIIRK

2.09

-10.41

-8.32
7 YPPIIKK

1.27

-9.36

-8.09
8 YDWIIRI

1.79

-9.34

-7.55
9 YPWIIRK

2.31

-9.85

-7.54
10 YDPIIRI

1.77

-9.28

-7.51
11 YDWIIRK

2.15

-9.55

-7.4
12 YRPIIKK

2.06

-9.34

-7.28
13 YREIIRI

2.11

-9.29

-7.18
14 YDEIIRI

2.31

-9.48

-7.17
15 YPPIIPK

2.02

-9.06

-7.04
16 YPPIIPI

2.03

-8.97

-6.94
17 YRWIIRK

2.06

-8.99

-6.93
18 YDPIIKI

1.97

-8.38

-6.41
19 YREIIRK

1.98

-8.39

-6.41
20 YDPIIKK

1.65

-7.27

-5.62
21 YRWIIRI

2.85

-8.37

-5.52
22 YRPIIRI

2.08

-7.57

-5.49
23 YDPIIRK

1.72

-7.11

-5.39
24 YDPKIRK

3.62

-8.89

-5.27
25 YRPIIPK

2.52

-7.75

-5.23
26 YDEIIPK

2.33

-7.37

-5.04
27 YRPIIPI

2.49

-6.93

-4.44
28 YDWIIPK

2.37

-6.73

-4.36
29 YDPIIPI

2.3

-5.46

-3.16
30 YDPIIPK

2.23

-5.0

-2.77

 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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