Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1YP5-8.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala
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    

(Help)

Intraclash 0.183 ΔGbinding 0.817
TOTAL
 1.000
Backbone Hb -2.162 Cis_bond 0.000
Sidechain Hb -2.162 Torsional clash 0.729
Van der Waals -3.912 Backbone clash 2.709
Electrostatics 0.170 Helix dipole 0.000
Solvation Polar 5.272 Water bridges -0.050
Solvation Hyd -4.970 Disulfide 0.000
VdW clashes 2.841 Electrost. Kon 0.213
Entropy sc 0.983 Part.cov.bonds 0.000
Entropy mc

3.866

 ΔGstability

10.826
       

Predicted ligand sequences for model [MYO3_1YP5-8.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_1YP5-8.PDB  

(data)
# Predicted Sequences Value Calculate
1 RWRPLPER 0.0
2 FWRPLPER 0.02
3 HWRPLPER 0.03
4 RWRPLFER 0.06
5 RWRPLLER 0.07
6 FWRPLFER 0.08
7 HWRPLFER 0.09
8 FWRPLLER 0.09
9 HWRPLLER 0.1
10 RWRPLPDR 0.1
11 RWKPLPER 0.11
12 FWRPLPDR 0.12
13 RWRYLPER 0.12
14 FWKPLPER 0.13
15 HWRPLPDR 0.13
16 FWRYLPER 0.14
17 HWKPLPER 0.14
18 HWRYLPER 0.15
19 RWRPLLDR 0.17
20 RWRPRPER 0.17
21 RWRPLFDR 0.17
22 RWKPLFER 0.17
23 RWKPLLER 0.18
24 FWRPLFDR 0.18
25 RWRYLFER 0.18
26 FWRPRPER 0.19
27 FWKPLFER 0.19
28 RWRYLLER 0.19
29 FWRPLLDR 0.19
30 FWKPLLER 0.2
31 HWKPLFER 0.2
32 HWRPRPER 0.2
33 HWRPLLDR 0.2
34 HWRPLFDR 0.2
35 FWRYLFER 0.2
36 FWRYLLER 0.21
37 HWRYLFER 0.21
38 RWKPLPDR 0.21
39 HWKPLLER 0.21
40 RWRYLPDR 0.22
41 HWRYLLER 0.22
42 RWRPLPHR 0.23
43 FWKPLPDR 0.23
44 RWKYLPER 0.23
45 RWRWLPER 0.23
46 HWKPLPDR 0.24
47 RWRPRFER 0.24
48 FWKYLPER 0.24
49 RWMPLPER 0.24
50 FWRYLPDR 0.24
51 FWRPLPHR 0.25
52 RWRPRLER 0.25
53 HWRYLPDR 0.25
54 FWMPLPER 0.25
55 FWRWLPER 0.25
56 FWRPRFER 0.26
57 FWRPRLER 0.26
58 HWKYLPER 0.26
59 HWRPLPHR 0.26
60 HWRWLPER 0.26
61 HWMPLPER 0.27
62 HWRPRFER 0.27
63 HWRPRLER 0.27
64 RWKPLFDR 0.28
65 RWRPRPDR 0.28
66 RWKPRPER 0.28
67 RWKPLLDR 0.28
68 RWKYLFER 0.29
69 FWKPLFDR 0.29
70 FWRPRPDR 0.29
71 RWRYLLDR 0.29
72 RWRYRPER 0.29
73 RWRYLFDR 0.29
74 RWRWLFER 0.29
75 HWKPLFDR 0.3
76 FWKPLLDR 0.3
77 RWRPLLHR 0.3
78 RWRPLFHR 0.3
79 RWMPLFER 0.3
80 RWKYLLER 0.3
81 FWRYLFDR 0.3
82 FWKPRPER 0.3
83 RWRWLLER 0.3
84 FWKYLFER 0.31
85 FWRYRPER 0.31
86 RWMPLLER 0.31
87 FWRWLFER 0.31
88 HWKPLLDR 0.31
89 FWRYLLDR 0.31
90 HWKPRPER 0.31
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FWRPLPDR

2.55

-5.17

-2.62
2 HWRPLPER

2.51

-4.99

-2.48
3 RWRPLPER

2.51

-4.98

-2.47
4 FWRPRPER

3.31

-5.55

-2.24
5 RWRPRPER

2.5

-4.66

-2.16
6 RWRPLLDR

2.81

-4.88

-2.07
7 RWRYLPER

2.76

-4.78

-2.02
8 HWRYLPER

2.76

-4.71

-1.95
9 RWKPLPER

2.3

-4.24

-1.94
10 RWRPLPDR

2.51

-4.38

-1.87
11 HWRPLPDR

2.63

-4.33

-1.7
12 RWRPLLER

2.62

-4.31

-1.69
13 HWKPLPER

2.29

-3.91

-1.62
14 FWKPLPER

2.36

-3.85

-1.49
15 RWRPLFER

2.97

-4.44

-1.47
16 RWKPLFER

2.49

-3.89

-1.4
17 RWRPLFDR

2.8

-4.15

-1.35
18 HWRPLLER

2.47

-3.82

-1.35
19 FWKPLLER

3.4

-4.71

-1.31
20 FWRYLPER

2.57

-3.85

-1.28
21 RWRYLLER

3.6

-4.81

-1.21
22 FWRPLPER

2.68

-3.85

-1.17
23 FWRPLFER

2.59

-3.71

-1.12
24 FWRPLLER

2.54

-3.64

-1.1
25 RWKPLLER

2.84

-3.93

-1.09
26 FWRPLFDR

2.75

-3.81

-1.06
27 FWRPLLDR

2.56

-3.61

-1.05
28 RWRYLFER

2.29

-3.27

-0.98
29 HWRPLFER

2.52

-3.44

-0.92
30 FWKPLFER

2.73

-3.48

-0.75

 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