Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_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 1.112 ΔGbinding 2.974
TOTAL
 4.086
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 1.407
Van der Waals -4.047 Backbone clash 3.725
Electrostatics 0.061 Helix dipole 0.000
Solvation Polar 4.061 Water bridges 0.000
Solvation Hyd -5.334 Disulfide 0.000
VdW clashes 3.724 Electrost. Kon 0.053
Entropy sc 0.293 Part.cov.bonds 0.000
Entropy mc

2.757

 ΔGstability

12.718
       

Predicted ligand sequences for model [MYO3_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).
 
  MYO3_1RUW-6.PDB  

(data)
# Predicted Sequences Value Calculate
1 MFRMGMMRPR 0.0
2 HFRMGMMRPR 0.04
3 MRRMGMMRPR 0.08
4 MFRMGWMRPR 0.11
5 HRRMGMMRPR 0.12
6 HFRMGWMRPR 0.15
7 MFRMGFMRPR 0.16
8 MFRIGMMRPR 0.16
9 MLRMGMMRPR 0.18
10 MRRMGWMRPR 0.19
11 MFHMGMMRPR 0.2
12 HFRIGMMRPR 0.2
13 HFRMGFMRPR 0.2
14 MFIMGMMRPR 0.21
15 HLRMGMMRPR 0.22
16 HRRMGWMRPR 0.23
17 MFRRGMMRPR 0.24
18 MRRMGFMRPR 0.24
19 HFHMGMMRPR 0.24
20 MRRIGMMRPR 0.24
21 MFRMGMMRMR 0.25
22 HFIMGMMRPR 0.25
23 MFRMGMMRPH 0.27
24 MFRIGWMRPR 0.27
25 HRRIGMMRPR 0.28
26 MRHMGMMRPR 0.28
27 HRRMGFMRPR 0.28
28 HFRRGMMRPR 0.28
29 MRIMGMMRPR 0.29
30 HFRMGMMRMR 0.29
31 MLRMGWMRPR 0.29
32 MFRMGMMRRR 0.3
33 HFRMGMMRPH 0.31
34 MFHMGWMRPR 0.31
35 HFRIGWMRPR 0.31
36 MFRMGMIRPR 0.31
37 MFRIGFMRPR 0.32
38 MFIMGWMRPR 0.32
39 MRRRGMMRPR 0.32
40 HRHMGMMRPR 0.32
41 HRIMGMMRPR 0.33
42 HLRMGWMRPR 0.33
43 MRRMGMMRMR 0.33
44 MFRMGMLRPR 0.34
45 HFRMGMMRRR 0.34
46 MLRIGMMRPR 0.34
47 MLRMGFMRPR 0.34
48 HFHMGWMRPR 0.35
49 MFRRGWMRPR 0.35
50 HFRMGMIRPR 0.35
51 MRRIGWMRPR 0.35
52 MRRMGMMRPH 0.35
53 MFHMGFMRPR 0.36
54 MFHIGMMRPR 0.36
55 MFRMGWMRMR 0.36
56 HFRIGFMRPR 0.36
57 HFIMGWMRPR 0.36
58 HRRRGMMRPR 0.36
59 MFIIGMMRPR 0.37
60 MFIMGFMRPR 0.37
61 HRRMGMMRMR 0.37
62 HFRMGMLRPR 0.38
63 MRRMGMMRRR 0.38
64 MFRMGWMRPH 0.38
65 HLRIGMMRPR 0.38
66 MLHMGMMRPR 0.38
67 HLRMGFMRPR 0.38
68 HRRIGWMRPR 0.39
69 MRRMGMIRPR 0.39
70 HRRMGMMRPH 0.39
71 MLIMGMMRPR 0.39
72 HFRRGWMRPR 0.39
73 MRHMGWMRPR 0.39
74 HFRMGWMRMR 0.4
75 HFHMGFMRPR 0.4
76 HFHIGMMRPR 0.4
77 MRIMGWMRPR 0.4
78 MFRRGFMRPR 0.4
79 MRRIGFMRPR 0.4
80 MFRIGMMRMR 0.41
81 MFRMGFMRMR 0.41
82 MFRMGMMRPK 0.41
83 HFIMGFMRPR 0.41
84 HFIIGMMRPR 0.41
85 MFRMGWMRRR 0.41
86 HRRMGMMRRR 0.42
87 HFRMGWMRPH 0.42
88 MLRRGMMRPR 0.42
89 HLHMGMMRPR 0.42
90 MFRMGWIRPR 0.42
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MFRMGMMRPR

0.96

-5.46

-4.5
2 HFRIGMMRPR

1.21

-5.44

-4.23
3 MFRMGMMRMR

1.8

-5.65

-3.85
4 MFRMGMMRPH

0.68

-4.52

-3.84
5 HRRIGMMRPR

1.32

-5.11

-3.79
6 HFRMGMMRPR

0.91

-4.57

-3.66
7 MFRIGWMRPR

1.25

-4.81

-3.56
8 MFRIGMMRPR

1.25

-4.78

-3.53
9 MFIMGMMRPR

1.87

-5.27

-3.4
10 MRRIGMMRPR

1.19

-4.53

-3.34
11 MLRMGMMRPR

1.68

-4.99

-3.31
12 HFRMGWMRPR

1.27

-4.52

-3.25
13 MRHMGMMRPR

1.85

-4.92

-3.07
14 HRRMGMMRPR

2.4

-5.38

-2.98
15 MFHMGMMRPR

1.7

-4.68

-2.98
16 HFHMGMMRPR

1.85

-4.81

-2.96
17 MFRMGWMRPR

2.04

-4.92

-2.88
18 MRRMGWMRPR

1.6

-4.47

-2.87
19 HFRMGMMRMR

2.2

-4.84

-2.64
20 MFRMGFMRPR

2.1

-4.64

-2.54
21 HFRMGFMRPR

1.82

-4.26

-2.44
22 MRRMGFMRPR

2.37

-4.72

-2.35
23 HFRRGMMRPR

2.5

-4.77

-2.27
24 MRRMGMMRPR

2.59

-4.69

-2.1
25 MFRRGMMRPR

2.22

-4.26

-2.04
26 HFIMGMMRPR

1.79

-3.82

-2.03
27 HRRMGFMRPR

2.36

-4.3

-1.94
28 MRIMGMMRPR

2.64

-4.55

-1.91
29 HLRMGMMRPR

2.82

-4.45

-1.63
30 HRRMGWMRPR

3.01

-3.8

-0.79

 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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