Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1VA7-26.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
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 8.122 ΔGbinding 1.994
TOTAL
 10.116
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.701
Van der Waals -3.769 Backbone clash 0.010
Electrostatics 0.217 Helix dipole 0.000
Solvation Polar 4.568 Water bridges -0.062
Solvation Hyd -4.717 Disulfide 0.000
VdW clashes 1.810 Electrost. Kon 0.298
Entropy sc 0.319 Part.cov.bonds 0.000
Entropy mc

2.629

 ΔGstability

19.202
       

Predicted ligand sequences for model [MYO5_1VA7-26.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_1VA7-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 DDMKRMPPR 0.0
2 DEMKRMPPR 0.01
3 DDMKKMPPR 0.03
4 DEMKKMPPR 0.04
5 DRMKRMPPR 0.06
6 DRMKKMPPR 0.09
7 DDMKRMPRR 0.1
8 DEMKRMPRR 0.11
9 DDMKHMPPR 0.11
10 DEMKHMPPR 0.13
11 DDMKKMPRR 0.13
12 DEMKKMPRR 0.14
13 DRMKRMPRR 0.16
14 DRMKHMPPR 0.17
15 DRMKKMPRR 0.19
16 DDMKHMPRR 0.21
17 DEMKHMPRR 0.23
18 DDMKRMFPR 0.26
19 DRMKHMPRR 0.27
20 SDMKRMPPR 0.27
21 DEMKRMFPR 0.27
22 DDMKRMPSR 0.29
23 SEMKRMPPR 0.29
24 DDMKKMFPR 0.29
25 DEMKRMPSR 0.3
26 DEMKKMFPR 0.3
27 SDMKKMPPR 0.3
28 DDMKKMPSR 0.32
29 DRMKRMFPR 0.32
30 DDIKRMPPR 0.32
31 SEMKKMPPR 0.32
32 DEIKRMPPR 0.33
33 DEMKKMPSR 0.33
34 SRMKRMPPR 0.34
35 DDPKRMPPR 0.34
36 DRMKKMFPR 0.35
37 DDIKKMPPR 0.35
38 DRMKRMPSR 0.35
39 DEPKRMPPR 0.36
40 SRMKKMPPR 0.36
41 DDMKRMFRR 0.36
42 DEIKKMPPR 0.36
43 SDMKRMPRR 0.37
44 DEMKRMFRR 0.37
45 DDMKHMFPR 0.37
46 DDPKKMPPR 0.37
47 DEPKKMPPR 0.38
48 DRMKKMPSR 0.38
49 DRIKRMPPR 0.38
50 DDMKKMFRR 0.38
51 SDMKHMPPR 0.39
52 SEMKRMPRR 0.39
53 DEMKHMFPR 0.39
54 SEMKHMPPR 0.4
55 DRPKRMPPR 0.4
56 SDMKKMPRR 0.4
57 DDMKHMPSR 0.4
58 DEMKKMFRR 0.4
59 DRIKKMPPR 0.41
60 SEMKKMPRR 0.41
61 DRMKRMFRR 0.42
62 DDIKRMPRR 0.42
63 DEMKHMPSR 0.42
64 DDIKHMPPR 0.43
65 DRPKKMPPR 0.43
66 SRMKRMPRR 0.43
67 DEIKRMPRR 0.43
68 DRMKHMFPR 0.43
69 DDIKKMPRR 0.44
70 DDPKRMPRR 0.44
71 TDMKRMPPR 0.44
72 DRMKKMFRR 0.44
73 SRMKHMPPR 0.45
74 DEIKHMPPR 0.45
75 DEPKRMPRR 0.46
76 DEIKKMPRR 0.46
77 TEMKRMPPR 0.46
78 SRMKKMPRR 0.46
79 DDMKRMHPR 0.46
80 DDPKHMPPR 0.46
81 DEPKHMPPR 0.47
82 DDPKKMPRR 0.47
83 TDMKKMPPR 0.47
84 DRMKHMPSR 0.47
85 DDMKHMFRR 0.47
86 DEMKRMHPR 0.48
87 DRIKRMPRR 0.48
88 DEMKHMFRR 0.48
89 TEMKKMPPR 0.48
90 DEPKKMPRR 0.48
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DRMKHMPPR

3.87

-9.32

-5.45
2 DEMKRMPPR

3.4

-8.28

-4.88
3 DEMKHMPPR

3.37

-7.99

-4.62
4 DRMKHMPRR

3.39

-7.98

-4.59
5 DRMKRMPRR

3.5

-7.91

-4.41
6 DDMKKMPRR

3.69

-7.67

-3.98
7 DRMKKMPPR

4.28

-8.18

-3.9
8 DRMKRMPPR

4.18

-7.85

-3.67
9 DDMKHMPPR

4.14

-7.71

-3.57
10 DEMKKMPRR

4.23

-7.76

-3.53
11 DDMKKMPPR

4.27

-7.77

-3.5
12 DEMKKMPPR

4.25

-7.74

-3.49
13 DRMKKMPRR

4.06

-7.54

-3.48
14 DEMKHMPRR

4.44

-7.89

-3.45
15 DEMKRMPRR

4.32

-7.75

-3.43
16 DEMKRMPSR

4.12

-7.47

-3.35
17 DDMKRMPPR

4.25

-7.57

-3.32
18 DEMKKMFPR

4.5

-7.82

-3.32
19 DDMKKMPSR

4.19

-7.51

-3.32
20 DDMKRMPRR

4.28

-7.52

-3.24
21 DDMKRMFPR

4.21

-7.26

-3.05
22 DEMKRMFPR

4.51

-7.54

-3.03
23 DDMKRMPSR

4.18

-7.04

-2.86
24 DRMKRMFPR

4.61

-7.45

-2.84
25 DDMKKMFPR

4.31

-6.93

-2.62
26 SDMKKMPPR

4.28

-6.87

-2.59
27 SDMKRMPPR

4.26

-6.72

-2.46
28 DDMKHMPRR

3.88

-6.07

-2.19
29 DDIKRMPPR

4.55

-6.72

-2.17
30 SEMKRMPPR

4.17

-6.0

-1.83

 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