Predicted ligand sequences (modelled structure)


ADAN-name: RVS167_FYN-SSH-6.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 0.572 ΔGbinding -0.508
TOTAL
 0.064
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 1.501
Van der Waals -3.956 Backbone clash 0.009
Electrostatics 0.009 Helix dipole 0.000
Solvation Polar 4.398 Water bridges 0.000
Solvation Hyd -5.135 Disulfide 0.000
VdW clashes 0.407 Electrost. Kon -0.039
Entropy sc 0.628 Part.cov.bonds 0.000
Entropy mc

2.954

 ΔGstability

34.228
       

Predicted ligand sequences for model [RVS167_FYN-SSH-6.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-6.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPRIPRIPPK 0.0
2 RPRIPRWPPK 0.03
3 RPRIPRIHPK 0.13
4 RPRIPRIRPK 0.15
5 RPRIPRWHPK 0.16
6 RPHIPRIPPK 0.18
7 RPRIPRWRPK 0.18
8 RPIIPRIPPK 0.19
9 RPRIPRIPPH 0.19
10 RPHIPRWPPK 0.21
11 RPIIPRWPPK 0.22
12 RPRIPRWPPH 0.22
13 RPRIPRIPMK 0.27
14 RPRIPRWPMK 0.31
15 RPHIPRIHPK 0.31
16 RPRIPRIHPH 0.32
17 RPIIPRIHPK 0.32
18 RPHIPRIRPK 0.33
19 RPRIPRIPRK 0.34
20 RLRIPRIPPK 0.34
21 RPIIPRIRPK 0.34
22 RPHIPRWHPK 0.34
23 RPRIPRIRPH 0.34
24 RPRIPRWHPH 0.35
25 RPIIPRWHPK 0.35
26 RPRIPRIPPW 0.35
27 RPHIPRWRPK 0.36
28 RLRIPRWPPK 0.37
29 RPRIPRWPRK 0.37
30 RPHIPRIPPH 0.37
31 YPRIPRIPPK 0.37
32 RPRIPRWPPW 0.38
33 RPRIPRWRPH 0.38
34 RPIIPRWRPK 0.38
35 RPIIPRIPPH 0.38
36 RPHIPRWPPH 0.4
37 RPRMPRIPPK 0.4
38 YPRIPRWPPK 0.4
39 RPRIPRIHMK 0.4
40 RFRIPRIPPK 0.41
41 RPIIPRWPPH 0.42
42 RPRIPRIRMK 0.43
43 RPRMPRWPPK 0.43
44 RPRIPRWHMK 0.43
45 RFRIPRWPPK 0.44
46 RPHIPRIPMK 0.45
47 RPRIPRWRMK 0.46
48 RPRIPRIPMH 0.46
49 RLRIPRIHPK 0.47
50 RPRIPRIHRK 0.47
51 RPIIPRIPMK 0.47
52 RPRIPRIHPW 0.48
53 RPHIPRWPMK 0.48
54 RPRLPRIPPK 0.49
55 RPRIPRIRRK 0.49
56 RLRIPRIRPK 0.49
57 RPRIPRWHRK 0.5
58 RPIIPRWPMK 0.5
59 RPRIPRWPMH 0.5
60 RLRIPRWHPK 0.5
61 RPRIPRIRPW 0.5
62 RPHIPRIHPH 0.5
63 YPRIPRIHPK 0.5
64 RPRIPRWHPW 0.51
65 RLHIPRIPPK 0.51
66 RPIIPRIHPH 0.51
67 RLRIPRWRPK 0.52
68 RPHIPRIPRK 0.52
69 YPRIPRIRPK 0.52
70 RPHIPRIRPH 0.52
71 RPHIPRIPPW 0.52
72 RPRLPRWPPK 0.52
73 RPRIPRWRRK 0.52
74 RPRMPRIHPK 0.53
75 RLIIPRIPPK 0.53
76 RPRIPRIPRH 0.53
77 RLRIPRIPPH 0.53
78 RPHIPRWHPH 0.53
79 YPRIPRWHPK 0.53
80 RPIIPRIPRK 0.53
81 RPRIPRWRPW 0.53
82 RPIIPRIRPH 0.54
83 RPIIPRWHPH 0.54
84 RPIIPRIPPW 0.54
85 RFRIPRIHPK 0.54
86 YPHIPRIPPK 0.55
87 RPRMPRIRPK 0.55
88 RPHIPRWPRK 0.55
89 RLHIPRWPPK 0.55
90 RPHIPRWRPH 0.55
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPHIPRIRPK

1.28

-8.92

-7.64
2 RPRIPRIHPK

3.03

-10.65

-7.62
3 RPIIPRWPPK

1.95

-9.57

-7.62
4 RPRIPRIRPH

1.52

-8.74

-7.22
5 RPHIPRIPPH

1.44

-8.63

-7.19
6 RPRIPRWHPH

2.22

-9.37

-7.15
7 RPIIPRIPPK

1.49

-8.59

-7.1
8 RLRIPRIPPK

1.96

-8.88

-6.92
9 RPHIPRWHPK

2.58

-9.25

-6.67
10 RPRIPRIPPW

1.85

-8.34

-6.49
11 RPIIPRWHPK

2.57

-9.05

-6.48
12 RPHIPRIPPK

1.49

-7.96

-6.47
13 RPRIPRWRPK

1.97

-8.36

-6.39
14 RPHIPRWPPK

2.01

-8.27

-6.26
15 RPHIPRWRPK

2.72

-8.9

-6.18
16 RPRIPRWHPK

2.5

-8.64

-6.14
17 RPRIPRIPPK

1.71

-7.73

-6.02
18 RLRIPRWPPK

2.54

-8.51

-5.97
19 RPIIPRIHPK

2.59

-8.35

-5.76
20 RPRIPRWPPH

2.2

-7.95

-5.75
21 RPRIPRWPMK

2.6

-8.34

-5.74
22 RPRIPRWPPK

2.2

-7.9

-5.7
23 RPRIPRIPPH

1.46

-7.05

-5.59
24 RPRIPRIHPH

2.47

-8.02

-5.55
25 RPHIPRIHPK

2.44

-7.91

-5.47
26 RPRIPRIRPK

1.88

-7.25

-5.37
27 RPRIPRIPRK

2.83

-8.18

-5.35
28 RPRIPRWPRK

2.3

-7.31

-5.01
29 RPIIPRIRPK

2.51

-7.47

-4.96
30 RPRIPRIPMK

1.78

-6.65

-4.87

 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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