Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_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    

(Help)

Intraclash 3.587 ΔGbinding 1.856
TOTAL
 5.443
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.630
Van der Waals -4.652 Backbone clash 0.013
Electrostatics 0.169 Helix dipole 0.000
Solvation Polar 5.090 Water bridges -0.072
Solvation Hyd -6.418 Disulfide 0.000
VdW clashes 1.588 Electrost. Kon 0.211
Entropy sc 0.394 Part.cov.bonds 0.000
Entropy mc

4.917

 ΔGstability

15.591
       

Predicted ligand sequences for model [MYO3_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).
 
  MYO3_1RUW-19.PDB  

(data)
# Predicted Sequences Value Calculate
1 RLKMWGRHY 0.0
2 RLRMWGRHY 0.02
3 NLKMWGRHY 0.05
4 RFKMWGRHY 0.06
5 NLRMWGRHY 0.08
6 RFRMWGRHY 0.09
7 RLFMWGRHY 0.1
8 NFKMWGRHY 0.12
9 NFRMWGRHY 0.14
10 NLFMWGRHY 0.16
11 RFFMWGRHY 0.17
12 NFFMWGRHY 0.22
13 RLKMWGRHF 0.29
14 RKKMWGRHY 0.3
15 RLRMWGRHF 0.31
16 RKRMWGRHY 0.33
17 NLKMWGRHF 0.34
18 RFKMWGRHF 0.35
19 NKKMWGRHY 0.36
20 DLKMWGRHY 0.37
21 NLRMWGRHF 0.37
22 RFRMWGRHF 0.38
23 NKRMWGRHY 0.38
24 RLFMWGRHF 0.39
25 DLRMWGRHY 0.4
26 NFKMWGRHF 0.41
27 RKFMWGRHY 0.41
28 DFKMWGRHY 0.43
29 NFRMWGRHF 0.43
30 NLFMWGRHF 0.45
31 DFRMWGRHY 0.46
32 NKFMWGRHY 0.46
33 RFFMWGRHF 0.46
34 DLFMWGRHY 0.48
35 RLKMFGRHY 0.5
36 NFFMWGRHF 0.51
37 RLRMFGRHY 0.52
38 DFFMWGRHY 0.54
39 NLKMFGRHY 0.55
40 RFKMFGRHY 0.56
41 RFRMFGRHY 0.58
42 NLRMFGRHY 0.58
43 RKKMWGRHF 0.59
44 RLFMFGRHY 0.6
45 NFKMFGRHY 0.61
46 RKRMWGRHF 0.62
47 NFRMFGRHY 0.64
48 NKKMWGRHF 0.65
49 DLKMWGRHF 0.66
50 NLFMFGRHY 0.66
51 RFFMFGRHY 0.67
52 NKRMWGRHF 0.67
53 DKKMWGRHY 0.68
54 DLRMWGRHF 0.69
55 DKRMWGRHY 0.7
56 RKFMWGRHF 0.7
57 DFKMWGRHF 0.72
58 NFFMFGRHY 0.72
59 DFRMWGRHF 0.75
60 NKFMWGRHF 0.75
61 DLFMWGRHF 0.77
62 DKFMWGRHY 0.78
63 RLKMFGRHF 0.79
64 RKKMFGRHY 0.8
65 RLRMFGRHF 0.81
66 DFFMWGRHF 0.83
67 RKRMFGRHY 0.83
68 NLKMFGRHF 0.84
69 RFKMFGRHF 0.85
70 NKKMFGRHY 0.86
71 RFRMFGRHF 0.87
72 DLKMFGRHY 0.87
73 NLRMFGRHF 0.87
74 NKRMFGRHY 0.88
75 RLFMFGRHF 0.89
76 DLRMFGRHY 0.89
77 NFKMFGRHF 0.9
78 RKFMFGRHY 0.91
79 NFRMFGRHF 0.93
80 DFKMFGRHY 0.93
81 NLFMFGRHF 0.95
82 DFRMFGRHY 0.96
83 RFFMFGRHF 0.96
84 NKFMFGRHY 0.96
85 DKKMWGRHF 0.97
86 DLFMFGRHY 0.97
87 DKRMWGRHF 0.99
88 NFFMFGRHF 1.01
89 DFFMFGRHY 1.04
90 DKFMWGRHF 1.07
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RLKMWGRHY

3.94

-8.17

-4.23
2 RLFMWGRHY

3.98

-8.07

-4.09
3 RKRMWGRHY

3.9

-6.63

-2.73
4 RLRMWGRHF

4.21

-6.54

-2.33
5 RKFMWGRHY

4.34

-6.67

-2.33
6 RLKMWGRHF

4.29

-6.41

-2.12
7 RFFMWGRHY

4.35

-6.39

-2.04
8 NLRMWGRHF

3.76

-5.76

-2.0
9 NLFMWGRHY

3.68

-5.39

-1.71
10 RFRMWGRHY

3.76

-5.43

-1.67
11 RFKMWGRHY

4.3

-5.88

-1.58
12 RKKMWGRHY

4.82

-6.38

-1.56
13 RLRMWGRHY

4.79

-6.25

-1.46
14 RFKMWGRHF

4.17

-5.61

-1.44
15 NFKMWGRHF

3.41

-4.72

-1.31
16 NLRMWGRHY

3.97

-5.05

-1.08
17 RLFMWGRHF

3.75

-4.8

-1.05
18 NKRMWGRHY

3.99

-5.03

-1.04
19 RFRMWGRHF

3.52

-4.53

-1.01
20 NLFMWGRHF

3.82

-4.76

-0.94
21 NFFMWGRHY

3.7

-4.61

-0.91
22 NLKMWGRHF

3.63

-4.5

-0.87
23 NKKMWGRHY

3.72

-4.5

-0.78
24 NLKMWGRHY

4.66

-5.39

-0.73
25 NFRMWGRHF

3.68

-4.39

-0.71
26 NFKMWGRHY

3.7

-4.39

-0.69
27 DLRMWGRHY

4.18

-4.72

-0.54
28 DFKMWGRHY

4.88

-5.34

-0.46
29 NFRMWGRHY

4.07

-4.32

-0.25
30 DLKMWGRHY

4.13

-4.37

-0.24

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER