Predicted ligand sequences (modelled structure)


ADAN-name: RVS167_FYN-SSH-15.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 1.071 ΔGbinding -1.416
TOTAL
 -0.345
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.314
Van der Waals -3.039 Backbone clash 0.118
Electrostatics 0.205 Helix dipole 0.000
Solvation Polar 2.953 Water bridges 0.000
Solvation Hyd -4.239 Disulfide 0.000
VdW clashes 0.030 Electrost. Kon 0.234
Entropy sc 0.430 Part.cov.bonds 0.000
Entropy mc

2.971

 ΔGstability

32.362
       

Predicted ligand sequences for model [RVS167_FYN-SSH-15.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-15.PDB  

(data)
# Predicted Sequences Value Calculate
1 YDWIKPKRV 0.0
2 YDFIKPKRV 0.01
3 YDRIKPKRV 0.05
4 YDWIIPKRV 0.06
5 YDFIIPKRV 0.07
6 YDWIKPRRV 0.09
7 YDFIKPRRV 0.1
8 YDRIIPKRV 0.11
9 YDWVKPKRV 0.12
10 YDFVKPKRV 0.13
11 YDRIKPRRV 0.14
12 YDWIKPLRV 0.15
13 YDWIIPRRV 0.15
14 YDFIKPLRV 0.16
15 YDRVKPKRV 0.17
16 YDFIIPRRV 0.17
17 YDWVIPKRV 0.18
18 YDWIKIKRV 0.19
19 YDFVIPKRV 0.19
20 YDRIKPLRV 0.2
21 YDFIKIKRV 0.2
22 YDWIKYKRV 0.21
23 YDRIIPRRV 0.21
24 YDWVKPRRV 0.21
25 YDWIIPLRV 0.21
26 YDFIIPLRV 0.22
27 YDFVKPRRV 0.22
28 YDFIKYKRV 0.22
29 YDRVIPKRV 0.23
30 YDRIKIKRV 0.24
31 YDWIIIKRV 0.25
32 YDRIKYKRV 0.26
33 YDFIIIKRV 0.26
34 YDRVKPRRV 0.26
35 YDRIIPLRV 0.26
36 YDWVIPRRV 0.27
37 YDWIIYKRV 0.27
38 YDWVKPLRV 0.27
39 YDFIIYKRV 0.28
40 YDFVKPLRV 0.28
41 YDWIKIRRV 0.28
42 YDFVIPRRV 0.29
43 YDWIKYRRV 0.3
44 YDRIIIKRV 0.3
45 YDFIKIRRV 0.3
46 YDWIWPKRV 0.31
47 YDFIKYRRV 0.31
48 YDWVKIKRV 0.31
49 YDFIWPKRV 0.32
50 YDRVIPRRV 0.32
51 YDRVKPLRV 0.32
52 YDRIIYKRV 0.32
53 YDFVKIKRV 0.32
54 YPWIKPKRV 0.33
55 YDWVIPLRV 0.33
56 YDRIKIRRV 0.33
57 YDWVKYKRV 0.33
58 YDWIKPKRY 0.33
59 YPFIKPKRV 0.34
60 YDWIKILRV 0.34
61 YDFVIPLRV 0.34
62 YDFVKYKRV 0.34
63 YDFIKPKRY 0.34
64 YDWIIIRRV 0.35
65 YDFIKILRV 0.35
66 YDRIKYRRV 0.35
67 YDWIKYLRV 0.35
68 RDWIKPKRV 0.35
69 RDFIKPKRV 0.36
70 YDRVKIKRV 0.36
71 YDRIWPKRV 0.36
72 YDWIIYRRV 0.36
73 YDFIKYLRV 0.36
74 YDFIIIRRV 0.36
75 YDWVIIKRV 0.37
76 YDFIIYRRV 0.37
77 YDRIKPKRY 0.38
78 YDFVIIKRV 0.38
79 YPRIKPKRV 0.38
80 YDRVIPLRV 0.38
81 YDWWKPKRV 0.38
82 YDRVKYKRV 0.38
83 YDWVIYKRV 0.39
84 YPWIIPKRV 0.39
85 YDFWKPKRV 0.39
86 YDRIKILRV 0.39
87 YDWIIPKRY 0.39
88 YDWIIILRV 0.4
89 YDFIIPKRY 0.4
90 YDFVIYKRV 0.4
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 YDFIKPLRV

1.58

-9.88

-8.3
2 YDRIKPRRV

2.0

-9.94

-7.94
3 YDFVIPKRV

2.14

-10.01

-7.87
4 YDRIKPKRV

1.83

-9.69

-7.86
5 YDRIIPRRV

1.59

-9.33

-7.74
6 YDFIKPRRV

1.72

-9.45

-7.73
7 YDWIKPRRV

1.67

-9.32

-7.65
8 YDWVKPRRV

1.94

-9.48

-7.54
9 YDRIIPKRV

1.92

-9.32

-7.4
10 YDFVKPRRV

1.96

-9.33

-7.37
11 YDRVKPKRV

1.84

-9.18

-7.34
12 YDFVKPKRV

1.82

-8.98

-7.16
13 YDRVIPKRV

1.68

-8.84

-7.16
14 YDWIIPRRV

2.44

-9.56

-7.12
15 YDWIKPKRV

1.73

-8.8

-7.07
16 YDRIKPLRV

1.99

-8.99

-7.0
17 YDFIKPKRV

1.79

-8.74

-6.95
18 YDRIKIKRV

3.62

-10.51

-6.89
19 YDWVKPKRV

1.89

-8.74

-6.85
20 YDFIIPRRV

3.01

-9.71

-6.7
21 YDWVIPKRV

2.43

-8.68

-6.25
22 YDFIIPKRV

2.28

-8.5

-6.22
23 YDWIKPLRV

2.49

-8.68

-6.19
24 YDFIIPLRV

2.35

-8.47

-6.12
25 YDWIKIKRV

3.99

-10.09

-6.1
26 YDWIIPLRV

2.6

-8.64

-6.04
27 YDFIKIKRV

4.15

-10.19

-6.04
28 YDWIIPKRV

2.34

-8.25

-5.91
29 YDWIKYKRV

4.74

-10.54

-5.8
30 YDFIKYKRV

4.25

-9.84

-5.59

 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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