Predicted ligand sequences (modelled structure)


ADAN-name: RVS167_FYN-SSH-28.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 10
poly-Ala
A
 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 1.952 ΔGbinding -2.095
TOTAL
 -0.143
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.336
Van der Waals -4.049 Backbone clash 0.034
Electrostatics 0.182 Helix dipole 0.000
Solvation Polar 4.121 Water bridges -0.248
Solvation Hyd -5.631 Disulfide 0.000
VdW clashes 0.274 Electrost. Kon 0.206
Entropy sc 0.984 Part.cov.bonds 0.000
Entropy mc

4.279

 ΔGstability

35.284
       

Predicted ligand sequences for model [RVS167_FYN-SSH-28.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-28.PDB  

(data)
# Predicted Sequences Value Calculate
1 RKPIWRPKRK 0.0
2 RKPIWPPKRK 0.03
3 RDPIWRPKRK 0.05
4 RPPIWRPKRK 0.06
5 RKPIWKPKRK 0.07
6 RDPIWPPKRK 0.08
7 RPPIWPPKRK 0.09
8 RKPIWRPPRK 0.11
9 RDPIWKPKRK 0.12
10 RPPIWKPKRK 0.13
11 RKPIWPPPRK 0.14
12 RDPIWRPPRK 0.16
13 RPPIWRPPRK 0.17
14 RKPIWKPPRK 0.18
15 RDPIWPPPRK 0.19
16 RKPIWRPRRK 0.2
17 RPPIWPPPRK 0.2
18 RDPIWKPPRK 0.23
19 RKPIWPPRRK 0.23
20 RPPIWKPPRK 0.24
21 RDPIWRPRRK 0.25
22 RKPIWKPRRK 0.27
23 RPPIWRPRRK 0.27
24 RDPIWPPRRK 0.28
25 RPPIWPPRRK 0.3
26 RDPIWKPRRK 0.32
27 RPPIWKPRRK 0.33
28 YKPIWRPKRK 0.43
29 RKEIWRPKRK 0.45
30 YKPIWPPKRK 0.46
31 RKEIWPPKRK 0.48
32 YDPIWRPKRK 0.48
33 YPPIWRPKRK 0.5
34 RDEIWRPKRK 0.5
35 YKPIWKPKRK 0.5
36 YDPIWPPKRK 0.51
37 RKEIWKPKRK 0.52
38 RPEIWRPKRK 0.52
39 RDEIWPPKRK 0.53
40 YPPIWPPKRK 0.53
41 YKPIWRPPRK 0.54
42 YDPIWKPKRK 0.55
43 RPEIWPPKRK 0.55
44 RKEIWRPPRK 0.56
45 YPPIWKPKRK 0.56
46 YKPIWPPPRK 0.57
47 RDEIWKPKRK 0.57
48 RPEIWKPKRK 0.58
49 YDPIWRPPRK 0.59
50 RKEIWPPPRK 0.59
51 YKPIWKPPRK 0.61
52 YPPIWRPPRK 0.61
53 RDEIWRPPRK 0.61
54 YDPIWPPPRK 0.62
55 RPEIWRPPRK 0.62
56 RKEIWKPPRK 0.63
57 RDEIWPPPRK 0.64
58 YPPIWPPPRK 0.64
59 YKPIWRPRRK 0.64
60 RKEIWRPRRK 0.66
61 YDPIWKPPRK 0.66
62 RPEIWPPPRK 0.66
63 YPPIWKPPRK 0.67
64 YKPIWPPRRK 0.67
65 RDEIWKPPRK 0.68
66 YDPIWRPRRK 0.69
67 RKEIWPPRRK 0.69
68 RPEIWKPPRK 0.69
69 YPPIWRPRRK 0.7
70 YKPIWKPRRK 0.7
71 RDEIWRPRRK 0.71
72 YDPIWPPRRK 0.72
73 RPEIWRPRRK 0.72
74 RKEIWKPRRK 0.72
75 YPPIWPPRRK 0.73
76 RDEIWPPRRK 0.74
77 YDPIWKPRRK 0.75
78 RPEIWPPRRK 0.75
79 RDEIWKPRRK 0.77
80 YPPIWKPRRK 0.77
81 RPEIWKPRRK 0.79
82 YKEIWRPKRK 0.89
83 YKEIWPPKRK 0.92
84 YDEIWRPKRK 0.94
85 YPEIWRPKRK 0.95
86 YKEIWKPKRK 0.95
87 YDEIWPPKRK 0.97
88 YPEIWPPKRK 0.98
89 YDEIWKPKRK 1.0
90 YKEIWRPPRK 1.0
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPPIWRPRRK

2.68

-10.94

-8.26
2 RPPIWPPRRK

2.67

-10.35

-7.68
3 RPPIWPPKRK

2.8

-10.44

-7.64
4 RPPIWKPKRK

2.74

-10.25

-7.51
5 RDPIWRPKRK

2.18

-9.48

-7.3
6 RPPIWKPRRK

2.42

-9.54

-7.12
7 RPPIWRPKRK

2.89

-9.82

-6.93
8 RPPIWRPPRK

3.29

-10.17

-6.88
9 RKEIWRPKRK

2.16

-9.0

-6.84
10 RKPIWKPRRK

2.37

-9.02

-6.65
11 RPPIWPPPRK

3.31

-9.94

-6.63
12 RKPIWRPKRK

2.45

-8.91

-6.46
13 YKPIWPPKRK

3.04

-9.28

-6.24
14 YKPIWRPKRK

3.01

-9.21

-6.2
15 RKPIWPPRRK

2.67

-8.81

-6.14
16 RDPIWKPRRK

2.85

-8.93

-6.08
17 RDPIWRPRRK

2.81

-8.86

-6.05
18 RKPIWRPRRK

2.86

-8.8

-5.94
19 RPPIWKPPRK

3.38

-9.05

-5.67
20 RDPIWKPPRK

3.41

-9.03

-5.62
21 RKPIWRPPRK

3.66

-8.87

-5.21
22 RDPIWPPRRK

2.48

-7.61

-5.13
23 RDPIWRPPRK

3.67

-8.67

-5.0
24 RKPIWKPKRK

3.14

-8.14

-5.0
25 RKPIWKPPRK

3.4

-8.28

-4.88
26 RKPIWPPKRK

3.34

-8.21

-4.87
27 RKPIWPPPRK

3.18

-8.01

-4.83
28 RDPIWKPKRK

2.62

-7.28

-4.66
29 RDPIWPPPRK

3.49

-8.01

-4.52
30 RDPIWPPKRK

4.4

-8.82

-4.42

 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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