Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1R6S-21.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 2.827 ΔGbinding 0.145
TOTAL
 2.972
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.184
Van der Waals -1.250 Backbone clash 0.184
Electrostatics 0.037 Helix dipole 0.000
Solvation Polar 1.652 Water bridges -0.203
Solvation Hyd -1.659 Disulfide 0.000
VdW clashes 0.205 Electrost. Kon 0.036
Entropy sc 0.275 Part.cov.bonds 0.000
Entropy mc

2.144

 ΔGstability

15.851
       

Predicted ligand sequences for model [MYO5_1R6S-21.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-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 EEEIGMPKRK 0.0
2 EEEIGHPKRK 0.08
3 EEEIGRPKRK 0.09
4 EEEMGMPKRK 0.13
5 YEEIGMPKRK 0.21
6 EEEMGHPKRK 0.21
7 EEMIGMPKRK 0.21
8 EEEMGRPKRK 0.21
9 EEMIGHPKRK 0.28
10 YEEIGHPKRK 0.28
11 YEEIGRPKRK 0.29
12 EEMIGRPKRK 0.29
13 EEQIGMPKRK 0.31
14 YEEMGMPKRK 0.34
15 EEEIHMPKRK 0.34
16 EEMMGMPKRK 0.34
17 EEEIGMPMRK 0.36
18 EEEIGMTKRK 0.36
19 EEQIGHPKRK 0.39
20 EEEIRMPKRK 0.39
21 EEQIGRPKRK 0.4
22 EEEIGMEKRK 0.4
23 EEMMGHPKRK 0.41
24 YEEMGHPKRK 0.41
25 YEMIGMPKRK 0.41
26 YEEMGRPKRK 0.42
27 EEMMGRPKRK 0.42
28 EEEIHHPKRK 0.42
29 EEEIHRPKRK 0.43
30 EEEIGHTKRK 0.43
31 EEQMGMPKRK 0.44
32 EEEIGRTKRK 0.44
33 EEEIGHPMRK 0.44
34 EEEIGRPMRK 0.45
35 EEEIRHPKRK 0.47
36 EEEIGMPKRH 0.47
37 EEEMHMPKRK 0.47
38 EEEIRRPKRK 0.48
39 EEEMGMTKRK 0.48
40 EEEIGHEKRK 0.48
41 EEEMGMPMRK 0.49
42 EEEIGREKRK 0.49
43 YEMIGHPKRK 0.49
44 YEMIGRPKRK 0.5
45 EEEMRMPKRK 0.52
46 YEQIGMPKRK 0.52
47 EEQMGHPKRK 0.52
48 EEEMGMEKRK 0.53
49 EEQMGRPKRK 0.53
50 YEMMGMPKRK 0.54
51 EEEMHHPKRK 0.55
52 EEEMHRPKRK 0.55
53 EEMIHMPKRK 0.55
54 YEEIHMPKRK 0.55
55 EEEIGHPKRH 0.55
56 EEEIGRPKRH 0.56
57 YEEIGMTKRK 0.56
58 EEMIGMTKRK 0.56
59 EEEMGHTKRK 0.56
60 EEEMGHPMRK 0.57
61 EEEMGRPMRK 0.57
62 YEEIGMPMRK 0.57
63 EEMIGMPMRK 0.57
64 EEEMGRTKRK 0.57
65 EEEMRRPKRK 0.6
66 EEEMRHPKRK 0.6
67 YEQIGHPKRK 0.6
68 EEEMGMPKRH 0.6
69 YEEIRMPKRK 0.6
70 EEMIRMPKRK 0.6
71 EEMIGMEKRK 0.61
72 EEEMGHEKRK 0.61
73 YEEIGMEKRK 0.61
74 YEQIGRPKRK 0.61
75 EEEMGREKRK 0.62
76 YEEIHHPKRK 0.62
77 EEMIHHPKRK 0.62
78 YEMMGHPKRK 0.62
79 YEMMGRPKRK 0.63
80 EEMIHRPKRK 0.63
81 YEEIHRPKRK 0.63
82 YEEIGHTKRK 0.64
83 EEMIGHTKRK 0.64
84 EEMIGRPMRK 0.65
85 YEEIGRPMRK 0.65
86 EEMIGRTKRK 0.65
87 YEQMGMPKRK 0.65
88 YEEIGHPMRK 0.65
89 EEQIHMPKRK 0.65
90 YEEIGRTKRK 0.65
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 EEEIGMPMRK

2.58

-6.2

-3.62
2 YEEMGMPKRK

2.52

-5.82

-3.3
3 YEEIGRPKRK

2.6

-5.71

-3.11
4 EEQIGRPKRK

2.33

-5.4

-3.07
5 YEMIGMPKRK

3.11

-5.86

-2.75
6 YEEIGHPKRK

3.09

-5.79

-2.7
7 YEEIGMPKRK

2.24

-4.76

-2.52
8 EEEIGRPKRK

2.84

-5.33

-2.49
9 EEEIGMTKRK

3.4

-5.84

-2.44
10 YEEMGRPKRK

3.99

-6.18

-2.19
11 EEEIGMEKRK

3.21

-5.25

-2.04
12 YEEMGHPKRK

3.23

-5.25

-2.02
13 EEEMGRPKRK

2.16

-4.12

-1.96
14 EEMMGMPKRK

1.88

-3.67

-1.79
15 EEMIGRPKRK

3.17

-4.87

-1.7
16 EEQIGMPKRK

2.03

-3.6

-1.57
17 EEMMGHPKRK

2.35

-3.9

-1.55
18 EEEMGMPKRK

1.97

-3.5

-1.53
19 EEQIGHPKRK

3.02

-4.53

-1.51
20 EEMMGRPKRK

2.91

-4.41

-1.5
21 EEEMGHPKRK

3.69

-5.16

-1.47
22 EEMIGMPKRK

2.2

-3.39

-1.19
23 EEMIGHPKRK

3.75

-4.9

-1.15
24 EEEIGMPKRK

2.2

-3.34

-1.14
25 EEEIGHPKRK

2.14

-3.23

-1.09
26 EEEIHHPKRK

4.26

-4.73

-0.47
27 EEEIGHTKRK

3.21

-3.53

-0.32
28 EEEIHMPKRK

3.12

-3.27

-0.15
29 EEEIRMPKRK

4.35

-4.0

0.35
30 EEEIHRPKRK

3.74

-3.21

0.53

 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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