Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1R6S-2.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 0.459 ΔGbinding -0.871
TOTAL
 -0.412
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.766
Van der Waals -5.072 Backbone clash 0.060
Electrostatics -0.257 Helix dipole 0.000
Solvation Polar 5.734 Water bridges -0.184
Solvation Hyd -7.204 Disulfide 0.000
VdW clashes 3.174 Electrost. Kon -0.323
Entropy sc 0.772 Part.cov.bonds 0.000
Entropy mc

2.997

 ΔGstability

7.922
       

Predicted ligand sequences for model [MYO5_1R6S-2.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_1R6S-2.PDB  

(data)
# Predicted Sequences Value Calculate
1 HRKRMFRDIW 0.0
2 HRRRMFRDIW 0.02
3 HRLRMFRDIW 0.09
4 HRKRMFRDIH 0.15
5 HRRRMFRDIH 0.17
6 HRKRMFRPIW 0.21
7 HRRRMFRPIW 0.23
8 HRLRMFRDIH 0.24
9 HRKRDFRDIW 0.24
10 HRKRMFRDVW 0.25
11 HRRRDFRDIW 0.26
12 HRKRMFRDRW 0.27
13 HRRRMFRDVW 0.27
14 HRRRMFRDRW 0.29
15 HRKRKFRDIW 0.3
16 HRLRMFRPIW 0.31
17 HRRRKFRDIW 0.32
18 HRLRDFRDIW 0.33
19 HRLRMFRDVW 0.34
20 HRKRMFRMIW 0.36
21 HRKRMFRPIH 0.36
22 HRLRMFRDRW 0.36
23 HRRRMFRMIW 0.38
24 HRRRMFRPIH 0.38
25 HRKRDFRDIH 0.38
26 HRLRKFRDIW 0.39
27 HRKRMFRDVH 0.4
28 HRRRDFRDIH 0.4
29 HRKRMFRDRH 0.42
30 HRRRMFRDVH 0.42
31 HRKRKFRDIH 0.44
32 HRRRMFRDRH 0.44
33 HRKRMFRDIF 0.45
34 HRLRMFRPIH 0.45
35 HRKRDFRPIW 0.45
36 HRLRMFRMIW 0.45
37 HRRRKFRDIH 0.46
38 HRKRMFRPVW 0.46
39 HRRRDFRPIW 0.47
40 HRRRMFRDIF 0.47
41 HRRRMFRPVW 0.48
42 HRLRDFRDIH 0.48
43 HRKRMFRPRW 0.48
44 HRLRMFRDVH 0.49
45 HRKRDFRDVW 0.49
46 HRKRMYRDIW 0.5
47 HRKRMFRMIH 0.5
48 HRRRMFRPRW 0.5
49 HRRRDFRDVW 0.51
50 HRKRKFRPIW 0.51
51 HRKRDFRDRW 0.51
52 HRLRMFRDRH 0.51
53 HRRRMYRDIW 0.52
54 HRRRMFRMIH 0.52
55 HRRRKFRPIW 0.53
56 HRRRDFRDRW 0.53
57 HRLRMFRDIF 0.54
58 HRLRDFRPIW 0.54
59 HRLRKFRDIH 0.54
60 HRKRKFRDVW 0.55
61 HRLRMFRPVW 0.56
62 HRKRKFRDRW 0.57
63 HRRRKFRDVW 0.57
64 HRLRMFRPRW 0.58
65 HRLRDFRDVW 0.58
66 HRRRKFRDRW 0.59
67 HRKRDFRMIW 0.59
68 HRLRMYRDIW 0.59
69 HRLRDFRDRW 0.6
70 HRLRKFRPIW 0.6
71 HRKRDFRPIH 0.6
72 HRLRMFRMIH 0.6
73 HRRRDFRMIW 0.61
74 HRKRMFRMVW 0.61
75 HRKRMFRPVH 0.61
76 HRKRMFRMRW 0.62
77 HRRRDFRPIH 0.62
78 HRRRMFRPVH 0.63
79 HRRRMFRMVW 0.63
80 HRKRDFRDVH 0.63
81 HRKRMFRPRH 0.63
82 HRLRKFRDVW 0.64
83 HRKRMYRDIH 0.64
84 HRRRDFRDVH 0.65
85 HRRRMFRMRW 0.65
86 HRKRKFRMIW 0.65
87 HRKRDFRDRH 0.65
88 HRRRMFRPRH 0.65
89 HRKRKFRPIH 0.66
90 HRLRKFRDRW 0.66
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 HRKRMFRDIH

4.14

-10.42

-6.28
2 HRKRDFRDIW

2.83

-8.71

-5.88
3 HRKRMFRDVH

2.39

-7.68

-5.29
4 HRRRDFRDIH

2.13

-6.96

-4.83
5 HRKRMFRDIW

4.15

-8.9

-4.75
6 HRKRMFRDVW

4.12

-8.75

-4.63
7 HRLRMFRDIW

3.81

-8.37

-4.56
8 HRLRMFRDIH

4.23

-8.72

-4.49
9 HRRRMFRMIW

2.17

-6.57

-4.4
10 HRRRMFRDIH

3.1

-7.41

-4.31
11 HRKRMFRDRW

2.23

-6.48

-4.25
12 HRRRKFRDIW

3.21

-7.41

-4.2
13 HRRRDFRDIW

1.89

-5.98

-4.09
14 HRRRMFRDIW

4.13

-8.22

-4.09
15 HRLRMFRPIW

2.35

-6.12

-3.77
16 HRRRMFRDRW

2.34

-6.1

-3.76
17 HRLRDFRDIW

3.99

-7.73

-3.74
18 HRKRMFRPIW

3.28

-7.02

-3.74
19 HRKRKFRDIW

1.87

-5.53

-3.66
20 HRRRMFRPIW

4.16

-7.75

-3.59
21 HRKRMFRPIH

4.24

-7.75

-3.51
22 HRKRMFRMIW

2.0

-5.47

-3.47
23 HRRRMFRDVW

2.43

-5.79

-3.36
24 HRLRMFRDVW

4.6

-7.62

-3.02
25 HRKRMFRDRH

2.15

-5.15

-3.0
26 HRRRMFRPIH

3.15

-5.99

-2.84
27 HRKRDFRDIH

2.83

-5.55

-2.72
28 HRLRMFRDRW

2.59

-5.17

-2.58
29 HRLRKFRDIW

3.92

-5.55

-1.63
30 HRRRMFRDVH

2.41

-3.99

-1.58

 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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