Predicted ligand sequences (modelled structure)


ADAN-name: RVS167_FYN-SSH-21.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 G
G
 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 2.221 ΔGbinding -0.961
TOTAL
 1.260
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.107
Van der Waals -1.220 Backbone clash 0.001
Electrostatics 0.004 Helix dipole 0.000
Solvation Polar 0.884 Water bridges 0.000
Solvation Hyd -1.944 Disulfide 0.000
VdW clashes 0.200 Electrost. Kon -0.028
Entropy sc 0.033 Part.cov.bonds 0.000
Entropy mc

1.003

 ΔGstability

41.557
       

Predicted ligand sequences for model [RVS167_FYN-SSH-21.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-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 RFRLGIPHMR 0.0
2 RFRLGFPHMR 0.03
3 KFRLGIPHMR 0.04
4 RFILGIPHMR 0.05
5 HFRLGIPHMR 0.05
6 KFRLGFPHMR 0.07
7 RFRLGYPHMR 0.07
8 HFRLGFPHMR 0.08
9 RFILGFPHMR 0.08
10 RFRLGIPHMT 0.08
11 RFFLGIPHMR 0.09
12 KFILGIPHMR 0.1
13 HFILGIPHMR 0.1
14 RMRLGIPHMR 0.1
15 HFRLGYPHMR 0.11
16 KFRLGYPHMR 0.11
17 RFRLGFPHMT 0.11
18 KFRLGIPHMT 0.12
19 RFFLGFPHMR 0.12
20 HFRLGIPHMT 0.12
21 RFILGYPHMR 0.12
22 HFILGFPHMR 0.13
23 KFFLGIPHMR 0.13
24 KFILGFPHMR 0.13
25 RFILGIPHMT 0.13
26 RMRLGFPHMR 0.13
27 HFFLGIPHMR 0.14
28 KMRLGIPHMR 0.14
29 RFRLGYPHMT 0.14
30 KFRLGFPHMT 0.15
31 RMILGIPHMR 0.15
32 HMRLGIPHMR 0.15
33 HFRLGFPHMT 0.15
34 RFFLGYPHMR 0.15
35 KFFLGFPHMR 0.16
36 RFFLGIPHMT 0.16
37 RMRLGYPHMR 0.16
38 RFILGFPHMT 0.16
39 KFILGYPHMR 0.16
40 KFILGIPHMT 0.17
41 HFFLGFPHMR 0.17
42 HFILGYPHMR 0.17
43 KMRLGFPHMR 0.17
44 RMRLGIPHMT 0.17
45 RMILGFPHMR 0.18
46 HFILGIPHMT 0.18
47 HMRLGFPHMR 0.18
48 RFRMGIPHMR 0.19
49 RFFLGFPHMT 0.19
50 HFRLGYPHMT 0.19
51 RMFLGIPHMR 0.19
52 KFRLGYPHMT 0.19
53 HMILGIPHMR 0.2
54 RFILGYPHMT 0.2
55 KFFLGYPHMR 0.2
56 KMILGIPHMR 0.2
57 HFFLGYPHMR 0.2
58 KMRLGYPHMR 0.21
59 HFFLGIPHMT 0.21
60 KFFLGIPHMT 0.21
61 KFILGFPHMT 0.21
62 HMRLGYPHMR 0.21
63 HFILGFPHMT 0.21
64 RMRLGFPHMT 0.21
65 RMFLGFPHMR 0.22
66 HMRLGIPHMT 0.22
67 RMILGYPHMR 0.22
68 RFRMGFPHMR 0.22
69 KMRLGIPHMT 0.22
70 RMILGIPHMT 0.23
71 RWRLGIPHMR 0.23
72 KMFLGIPHMR 0.23
73 KMILGFPHMR 0.23
74 RFFLGYPHMT 0.23
75 HMILGFPHMR 0.23
76 HMFLGIPHMR 0.24
77 KFFLGFPHMT 0.24
78 RMRLGYPHMT 0.24
79 HFFLGFPHMT 0.24
80 HFILGYPHMT 0.24
81 HFRMGIPHMR 0.24
82 KFILGYPHMT 0.24
83 KFRMGIPHMR 0.24
84 RFIMGIPHMR 0.25
85 HMRLGFPHMT 0.25
86 RMFLGYPHMR 0.25
87 KMRLGFPHMT 0.25
88 KMFLGFPHMR 0.26
89 KMILGYPHMR 0.26
90 RFRMGYPHMR 0.26
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RFRLGIPHMR

5.46

-6.97

-1.51
2 RMRLGFPHMR

6.71

-8.03

-1.32
3 KMRLGIPHMR

6.0

-6.97

-0.97
4 RFRLGFPHMR

5.95

-6.68

-0.73
5 KFRLGFPHMR

5.99

-6.66

-0.67
6 RFILGFPHMR

5.91

-6.56

-0.65
7 RMRLGIPHMR

7.12

-7.68

-0.56
8 KFILGIPHMR

6.11

-6.67

-0.56
9 RFILGYPHMR

5.99

-6.54

-0.55
10 KFRLGIPHMR

6.3

-6.84

-0.54
11 RFRLGIPHMT

5.71

-6.22

-0.51
12 KFRLGYPHMR

6.02

-6.51

-0.49
13 RFFLGFPHMR

5.88

-6.36

-0.48
14 HFILGFPHMR

6.26

-6.66

-0.4
15 HFRLGFPHMR

6.72

-7.08

-0.36
16 HFRLGYPHMR

6.12

-6.48

-0.36
17 HFFLGIPHMR

6.02

-6.36

-0.34
18 RFRLGYPHMR

6.84

-7.18

-0.34
19 RFFLGIPHMR

6.13

-6.44

-0.31
20 KFILGFPHMR

6.92

-6.96

-0.04
21 RFILGIPHMR

6.75

-6.78

-0.03
22 KFFLGIPHMR

6.84

-6.71

0.13
23 KFRLGIPHMT

6.02

-5.85

0.17
24 RFILGIPHMT

6.03

-5.74

0.29
25 RFRLGYPHMT

6.18

-5.78

0.4
26 HFILGIPHMR

7.37

-6.82

0.55
27 RFRLGFPHMT

6.35

-5.65

0.7
28 HFRLGIPHMR

7.38

-6.46

0.92
29 KFRLGFPHMT

6.78

-5.74

1.04
30 HFRLGIPHMT

6.88

-5.18

1.7

 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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