Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1RUW-6.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 1.154 ΔGbinding 2.743
TOTAL
 3.897
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 1.398
Van der Waals -4.040 Backbone clash 3.725
Electrostatics 0.061 Helix dipole 0.000
Solvation Polar 3.884 Water bridges 0.000
Solvation Hyd -5.334 Disulfide 0.000
VdW clashes 3.670 Electrost. Kon 0.053
Entropy sc 0.308 Part.cov.bonds 0.000
Entropy mc

2.742

 ΔGstability

8.467
       

Predicted ligand sequences for model [MYO5_1RUW-6.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_1RUW-6.PDB  

(data)
# Predicted Sequences Value Calculate
1 MFRMGMMRPR 0.0
2 MRRMGMMRPR 0.08
3 HFRMGMMRPR 0.1
4 MFRMGWMRPR 0.11
5 MLRMGMMRPR 0.16
6 MFRMGFMRPR 0.16
7 MFRIGMMRPR 0.17
8 HRRMGMMRPR 0.19
9 MRRMGWMRPR 0.2
10 MFHMGMMRPR 0.2
11 MFIMGMMRPR 0.21
12 HFRMGWMRPR 0.21
13 MRRMGFMRPR 0.24
14 MFRMGMMRMR 0.25
15 MRRIGMMRPR 0.25
16 HFRMGFMRPR 0.26
17 MFRMGMMRPH 0.27
18 MFRMGMIRPR 0.27
19 HLRMGMMRPR 0.27
20 HFRIGMMRPR 0.27
21 MRHMGMMRPR 0.28
22 MFRIGWMRPR 0.28
23 MLRMGWMRPR 0.28
24 MRIMGMMRPR 0.3
25 MFRRGMMRPR 0.3
26 HRRMGWMRPR 0.3
27 MFRMGMMRRR 0.3
28 HFHMGMMRPR 0.3
29 MFRMGMLRPR 0.31
30 MFHMGWMRPR 0.31
31 HFIMGMMRPR 0.31
32 MFRIGFMRPR 0.32
33 MFIMGWMRPR 0.32
34 MLRMGFMRPR 0.32
35 MLRIGMMRPR 0.33
36 MRRMGMMRMR 0.33
37 HRRMGFMRPR 0.34
38 MFHMGFMRPR 0.35
39 HRRIGMMRPR 0.35
40 HFRMGMMRMR 0.35
41 MRRMGMMRPH 0.35
42 MFHIGMMRPR 0.36
43 MRRMGMIRPR 0.36
44 MFRMGWMRMR 0.36
45 MLHMGMMRPR 0.36
46 MRRIGWMRPR 0.36
47 HFRMGMMRPH 0.37
48 HFRMGMIRPR 0.37
49 MFIMGFMRPR 0.37
50 MFRMGWMRPH 0.38
51 MLIMGMMRPR 0.38
52 MRRRGMMRPR 0.38
53 MFIIGMMRPR 0.38
54 HRHMGMMRPR 0.38
55 HFRIGWMRPR 0.38
56 MFRMGWIRPR 0.38
57 HLRMGWMRPR 0.38
58 MRRMGMMRRR 0.39
59 MRRMGMLRPR 0.39
60 MRHMGWMRPR 0.39
61 MFRMGMMRPW 0.4
62 HRIMGMMRPR 0.4
63 HFRRGMMRPR 0.4
64 HFRMGMLRPR 0.41
65 HFRMGMMRRR 0.41
66 MFRMGFMRMR 0.41
67 MRIMGWMRPR 0.41
68 MFRRGWMRPR 0.41
69 MRRIGFMRPR 0.41
70 HFHMGWMRPR 0.41
71 MLRMGMMRMR 0.41
72 MFRMGWMRRR 0.41
73 MFRIGMMRMR 0.42
74 HFIMGWMRPR 0.42
75 HLRMGFMRPR 0.42
76 MFRMGWLRPR 0.42
77 MLRMGMMRPH 0.43
78 HFRIGFMRPR 0.43
79 HLRIGMMRPR 0.43
80 MFRMGFIRPR 0.43
81 MFRMGFMRPH 0.43
82 MFRIGMMRPH 0.43
83 MLRMGMIRPR 0.44
84 MFRIGMIRPR 0.44
85 MLRIGWMRPR 0.44
86 MRHMGFMRPR 0.44
87 HRRMGMMRMR 0.44
88 MRIMGFMRPR 0.45
89 HRRMGMMRPH 0.45
90 MFRRGFMRPR 0.45
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MFIMGMMRPR

1.03

-5.73

-4.7
2 MFRMGMMRPR

1.11

-5.43

-4.32
3 MFRMGMMRRR

1.28

-5.45

-4.17
4 MLRMGMMRPR

1.17

-5.27

-4.1
5 MRRMGMMRPR

0.98

-4.97

-3.99
6 MFRMGMMRPH

1.34

-5.15

-3.81
7 MFHMGMMRPR

0.97

-4.78

-3.81
8 MLRMGWMRPR

1.07

-4.76

-3.69
9 MFRIGMMRPR

1.13

-4.75

-3.62
10 MRRMGFMRPR

1.2

-4.82

-3.62
11 MFRMGFMRPR

1.58

-5.13

-3.55
12 MFRMGMLRPR

0.92

-4.44

-3.52
13 MFRMGMIRPR

0.95

-4.42

-3.47
14 MFHMGWMRPR

1.9

-5.24

-3.34
15 HFRIGMMRPR

1.18

-4.27

-3.09
16 MRIMGMMRPR

1.86

-4.88

-3.02
17 MRRIGMMRPR

1.58

-4.59

-3.01
18 MFRMGWMRPR

2.2

-5.1

-2.9
19 MFRIGWMRPR

1.8

-4.55

-2.75
20 MFRMGMMRMR

1.82

-4.52

-2.7
21 HFHMGMMRPR

2.18

-4.61

-2.43
22 HFRMGMMRPR

2.31

-4.29

-1.98
23 MFRRGMMRPR

2.31

-4.28

-1.97
24 HLRMGMMRPR

2.63

-4.5

-1.87
25 MRHMGMMRPR

2.49

-4.2

-1.71
26 HRRMGWMRPR

2.67

-4.37

-1.7
27 HFRMGFMRPR

2.13

-3.61

-1.48
28 HFRMGWMRPR

1.57

-3.03

-1.46
29 MRRMGWMRPR

3.07

-4.51

-1.44
30 HRRMGMMRPR

3.28

-4.02

-0.74

 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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