Predicted ligand sequences (modelled structure)


ADAN-name: RVS167_FYN-SSH-5.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 5.504 ΔGbinding -2.060
TOTAL
 3.444
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 1.267
Van der Waals -4.687 Backbone clash 0.100
Electrostatics -0.061 Helix dipole 0.000
Solvation Polar 4.303 Water bridges -0.003
Solvation Hyd -7.040 Disulfide 0.000
VdW clashes 2.334 Electrost. Kon -0.064
Entropy sc 0.583 Part.cov.bonds 0.000
Entropy mc

2.584

 ΔGstability

36.925
       

Predicted ligand sequences for model [RVS167_FYN-SSH-5.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-5.PDB  

(data)
# Predicted Sequences Value Calculate
1 RINFPPPPHF 0.0
2 RINFPPPDHF 0.01
3 RIRFPPPPHF 0.09
4 RINFPPPPHW 0.09
5 RINFPPPDHW 0.1
6 RINWPPPPHF 0.1
7 RIRFPPPDHF 0.1
8 RIFFPPPDHF 0.11
9 RINWPPPDHF 0.11
10 RIFFPPPPHF 0.11
11 RINFPPPEHF 0.14
12 MINFPPPPHF 0.16
13 MINFPPPDHF 0.17
14 RFNFPPPPHF 0.17
15 RFNFPPPDHF 0.17
16 RIRFPPPPHW 0.18
17 RINWPPPPHW 0.19
18 RMNFPPPPHF 0.19
19 RIRFPPPDHW 0.19
20 RIRWPPPPHF 0.2
21 RIFFPPPDHW 0.2
22 RIFFPPPPHW 0.2
23 RMNFPPPDHF 0.2
24 RINWPPPDHW 0.2
25 RIRWPPPDHF 0.2
26 RIFWPPPPHF 0.21
27 RIFWPPPDHF 0.22
28 RINFPPPEHW 0.23
29 RIRFPPPEHF 0.23
30 RINWPPPEHF 0.24
31 RIFFPPPEHF 0.25
32 MINFPPPPHW 0.25
33 MIRFPPPPHF 0.25
34 MINFPPPDHW 0.26
35 RFRFPPPPHF 0.26
36 RFNFPPPPHW 0.26
37 MINWPPPPHF 0.26
38 RFNFPPPDHW 0.26
39 MIRFPPPDHF 0.26
40 MIFFPPPDHF 0.27
41 MIFFPPPPHF 0.27
42 RFRFPPPDHF 0.27
43 RFNWPPPPHF 0.27
44 RINFPPKPHF 0.27
45 MINWPPPDHF 0.27
46 RFNWPPPDHF 0.28
47 RINFPPKDHF 0.28
48 RFFFPPPPHF 0.28
49 RMNFPPPPHW 0.28
50 RFFFPPPDHF 0.28
51 RIRWPPPPHW 0.29
52 RMRFPPPPHF 0.29
53 RMNFPPPDHW 0.29
54 RMRFPPPDHF 0.29
55 RIRWPPPDHW 0.29
56 RMNWPPPDHF 0.3
57 MINFPPPEHF 0.3
58 RMFFPPPPHF 0.3
59 RINFKPPPHF 0.3
60 RMNWPPPPHF 0.3
61 RIFWPPPPHW 0.3
62 RINFRPPPHF 0.31
63 RMFFPPPDHF 0.31
64 RFNFPPPEHF 0.31
65 RIFWPPPDHW 0.31
66 RINFKPPDHF 0.31
67 RINFRPPDHF 0.32
68 RIRFPPPEHW 0.32
69 RMNFPPPEHF 0.33
70 MFNFPPPPHF 0.33
71 RINWPPPEHW 0.33
72 MFNFPPPDHF 0.33
73 RIFFPPPEHW 0.34
74 RINFPPRPHF 0.34
75 RIRWPPPEHF 0.34
76 MIRFPPPPHW 0.34
77 RINFPPRDHF 0.35
78 RFRFPPPPHW 0.35
79 MINWPPPPHW 0.35
80 MIRWPPPPHF 0.35
81 RFRFPPPDHW 0.35
82 RIFWPPPEHF 0.35
83 MMNFPPPPHF 0.35
84 MIRFPPPDHW 0.35
85 RFRWPPPPHF 0.36
86 MIFFPPPDHW 0.36
87 MMNFPPPDHF 0.36
88 MIFFPPPPHW 0.36
89 RFNWPPPPHW 0.36
90 RINFPPKPHW 0.36
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RIRWPPPDHF

3.01

-13.99

-10.98
2 RIRWPPPPHF

3.24

-13.95

-10.71
3 RIRFPPPDHF

3.08

-13.26

-10.18
4 RMNFPPPDHF

2.96

-12.99

-10.03
5 MINFPPPPHF

3.47

-13.47

-10.0
6 RIFFPPPDHF

3.27

-13.0

-9.73
7 RINWPPPEHF

2.76

-12.43

-9.67
8 RMNFPPPPHF

3.69

-13.32

-9.63
9 RIFFPPPPHW

3.52

-12.85

-9.33
10 RIRFPPPPHF

2.99

-12.29

-9.3
11 RIRFPPPPHW

3.0

-12.21

-9.21
12 RINFPPPDHF

3.27

-12.48

-9.21
13 RINWPPPPHF

3.71

-12.88

-9.17
14 RINWPPPPHW

3.52

-12.68

-9.16
15 RIFWPPPDHF

2.82

-11.91

-9.09
16 RINFPPPDHW

3.11

-12.05

-8.94
17 RIFFPPPDHW

3.43

-12.32

-8.89
18 RIFFPPPPHF

3.65

-12.25

-8.6
19 RIRFPPPDHW

3.23

-11.78

-8.55
20 RINFPPPPHF

3.56

-12.02

-8.46
21 RFNFPPPDHF

3.27

-11.69

-8.42
22 RINFPPPEHF

3.85

-12.2

-8.35
23 RINWPPPDHF

3.0

-11.07

-8.07
24 RINFPPPPHW

3.56

-11.56

-8.0
25 MINFPPPDHF

3.38

-11.35

-7.97
26 RINWPPPDHW

3.56

-11.27

-7.71
27 RIFWPPPPHF

3.74

-11.21

-7.47
28 RINFPPPEHW

3.88

-11.16

-7.28
29 RIRFPPPEHF

3.11

-9.34

-6.23
30 RFNFPPPPHF

3.34

-9.53

-6.19

 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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