Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1RUW-19.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
G
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 2.191 ΔGbinding 2.496
TOTAL
 4.687
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.365
Van der Waals -4.641 Backbone clash 0.013
Electrostatics 0.180 Helix dipole 0.000
Solvation Polar 5.065 Water bridges -0.056
Solvation Hyd -6.412 Disulfide 0.000
VdW clashes 2.440 Electrost. Kon 0.226
Entropy sc 0.411 Part.cov.bonds 0.000
Entropy mc

4.917

 ΔGstability

11.673
       

Predicted ligand sequences for model [MYO5_1RUW-19.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).
 
  MYO5_1RUW-19.PDB  

(data)
# Predicted Sequences Value Calculate
1 RLKMWGRHY 0.0
2 RLRMWGRHY 0.02
3 RFKMWGRHY 0.03
4 RFRMWGRHY 0.05
5 RLFMWGRHY 0.1
6 RFFMWGRHY 0.13
7 RDKMWGRHY 0.17
8 RDRMWGRHY 0.2
9 RLWMWGRHY 0.21
10 RFWMWGRHY 0.24
11 RKKMWGRHY 0.26
12 RKRMWGRHY 0.28
13 RDFMWGRHY 0.28
14 RLKMWGRHF 0.34
15 RKFMWGRHY 0.36
16 RFKMWGRHF 0.37
17 RLRMWGRHF 0.37
18 RDWMWGRHY 0.38
19 RFRMWGRHF 0.39
20 ALKMWGRHY 0.43
21 RLFMWGRHF 0.45
22 ALRMWGRHY 0.46
23 RLKMFGRHY 0.46
24 AFKMWGRHY 0.46
25 RFFMWGRHF 0.47
26 RKWMWGRHY 0.47
27 RLRMFGRHY 0.48
28 RFKMFGRHY 0.48
29 AFRMWGRHY 0.49
30 RFRMFGRHY 0.51
31 RDKMWGRHF 0.51
32 ALFMWGRHY 0.54
33 RDRMWGRHF 0.54
34 RLWMWGRHF 0.55
35 RLFMFGRHY 0.56
36 AFFMWGRHY 0.57
37 RFWMWGRHF 0.58
38 RFFMFGRHY 0.59
39 RKKMWGRHF 0.6
40 ADKMWGRHY 0.61
41 RKRMWGRHF 0.62
42 RDFMWGRHF 0.62
43 RDKMFGRHY 0.63
44 ADRMWGRHY 0.63
45 ALWMWGRHY 0.64
46 RDRMFGRHY 0.65
47 AFWMWGRHY 0.67
48 RLWMFGRHY 0.67
49 RFWMFGRHY 0.69
50 AKKMWGRHY 0.69
51 ADFMWGRHY 0.71
52 RKFMWGRHF 0.71
53 AKRMWGRHY 0.72
54 RDWMWGRHF 0.72
55 RKKMFGRHY 0.72
56 RDFMFGRHY 0.73
57 RKRMFGRHY 0.74
58 ALKMWGRHF 0.78
59 ALRMWGRHF 0.8
60 RLKMFGRHF 0.8
61 AFKMWGRHF 0.8
62 AKFMWGRHY 0.8
63 RKWMWGRHF 0.81
64 RKFMFGRHY 0.82
65 ADWMWGRHY 0.82
66 RLRMFGRHF 0.82
67 RFKMFGRHF 0.83
68 AFRMWGRHF 0.83
69 RDWMFGRHY 0.84
70 RFRMFGRHF 0.85
71 ALFMWGRHF 0.88
72 ALKMFGRHY 0.89
73 AKWMWGRHY 0.9
74 RLFMFGRHF 0.9
75 AFFMWGRHF 0.91
76 AFKMFGRHY 0.92
77 ALRMFGRHY 0.92
78 RKWMFGRHY 0.93
79 RFFMFGRHF 0.93
80 AFRMFGRHY 0.94
81 ADKMWGRHF 0.95
82 RDKMFGRHF 0.97
83 ADRMWGRHF 0.97
84 ALWMWGRHF 0.99
85 ALFMFGRHY 1.0
86 RDRMFGRHF 1.0
87 RLWMFGRHF 1.01
88 AFWMWGRHF 1.01
89 AFFMFGRHY 1.02
90 AKKMWGRHF 1.04
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RLWMWGRHY

4.04

-9.27

-5.23
2 RFWMWGRHY

4.37

-8.65

-4.28
3 RDRMWGRHY

4.08

-8.33

-4.25
4 RKWMWGRHY

4.13

-8.06

-3.93
5 RDFMWGRHY

4.39

-8.29

-3.9
6 RLKMFGRHY

4.33

-7.89

-3.56
7 RLRMWGRHY

3.9

-6.94

-3.04
8 RFKMWGRHF

4.69

-7.66

-2.97
9 RLRMWGRHF

4.82

-7.62

-2.8
10 RFFMWGRHF

4.57

-7.36

-2.79
11 RLFMWGRHF

3.44

-6.0

-2.56
12 RLFMWGRHY

4.01

-6.54

-2.53
13 RFRMWGRHY

3.54

-6.01

-2.47
14 RDKMWGRHY

4.01

-6.29

-2.28
15 AFRMWGRHY

4.06

-6.29

-2.23
16 RLKMWGRHF

3.97

-6.07

-2.1
17 RKKMWGRHY

5.04

-7.07

-2.03
18 ALRMWGRHY

3.92

-5.89

-1.97
19 RFFMWGRHY

3.96

-5.89

-1.93
20 RKRMWGRHY

4.2

-6.11

-1.91
21 RLRMFGRHY

3.85

-5.75

-1.9
22 RFKMFGRHY

3.73

-5.42

-1.69
23 ALKMWGRHY

4.3

-5.89

-1.59
24 RKFMWGRHY

4.62

-6.21

-1.59
25 RFRMWGRHF

3.91

-5.46

-1.55
26 RDWMWGRHY

3.99

-5.34

-1.35
27 RFRMFGRHY

4.04

-5.31

-1.27
28 RFKMWGRHY

4.15

-5.15

-1.0
29 AFKMWGRHY

4.03

-4.97

-0.94
30 RLKMWGRHY

4.94

-5.58

-0.64

 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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