Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1RUW-10.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala
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 3.561 ΔGbinding 2.032
TOTAL
 5.593
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.941
Van der Waals -4.159 Backbone clash 2.609
Electrostatics 0.120 Helix dipole 0.000
Solvation Polar 4.424 Water bridges 0.000
Solvation Hyd -5.402 Disulfide 0.000
VdW clashes 4.285 Electrost. Kon 0.142
Entropy sc 0.368 Part.cov.bonds 0.000
Entropy mc

2.588

 ΔGstability

8.343
       

Predicted ligand sequences for model [MYO5_1RUW-10.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-10.PDB  

(data)
# Predicted Sequences Value Calculate
1 ARRVGWWR 0.0
2 ARRVGWMR 0.01
3 ARRVGWHR 0.03
4 ARWVGWWR 0.06
5 ARWVGWMR 0.07
6 ARWVGWHR 0.08
7 ARFVGWWR 0.08
8 ARFVGWMR 0.09
9 ARFVGWHR 0.11
10 ARRPGWWR 0.12
11 ARRPGWMR 0.13
12 ARRPGWHR 0.15
13 ARWPGWWR 0.17
14 ADRVGWWR 0.18
15 ARWPGWMR 0.19
16 ADRVGWMR 0.19
17 ARWPGWHR 0.2
18 ADRVGWHR 0.2
19 ARFPGWWR 0.2
20 ARFPGWMR 0.21
21 ALRVGWWR 0.22
22 ARRVGIWR 0.22
23 ARFPGWHR 0.23
24 ALRVGWMR 0.23
25 ADWVGWWR 0.23
26 ARRVGIMR 0.24
27 ALRVGWHR 0.24
28 ARRRGWWR 0.25
29 ARRVGIHR 0.25
30 ADWVGWMR 0.25
31 ADWVGWHR 0.26
32 ADFVGWWR 0.26
33 ARRRGWMR 0.27
34 ALWVGWWR 0.27
35 ADFVGWMR 0.27
36 ARWVGIWR 0.28
37 ARRRGWHR 0.28
38 ARWVGIMR 0.29
39 ALWVGWMR 0.29
40 ADFVGWHR 0.29
41 ALWVGWHR 0.3
42 ALFVGWWR 0.3
43 ADRPGWWR 0.3
44 ALFVGWMR 0.31
45 ARWVGIHR 0.31
46 ADRPGWMR 0.31
47 ARWRGWWR 0.31
48 ARFVGIWR 0.31
49 ADRPGWHR 0.32
50 ARFVGIMR 0.32
51 ARWRGWMR 0.32
52 ALFVGWHR 0.33
53 ARFVGIHR 0.33
54 ALRPGWWR 0.34
55 ARWRGWHR 0.34
56 ARRPGIWR 0.34
57 ARFRGWWR 0.34
58 ARRPGIMR 0.35
59 ALRPGWMR 0.35
60 ADWPGWWR 0.35
61 ARFRGWMR 0.35
62 ALRPGWHR 0.36
63 ARFRGWHR 0.36
64 ADWPGWMR 0.36
65 ARRVGFWR 0.36
66 ARRPGIHR 0.37
67 ARRVGFMR 0.37
68 ADFPGWWR 0.38
69 ADWPGWHR 0.38
70 ARRVGFHR 0.39
71 ALWPGWWR 0.39
72 ADFPGWMR 0.39
73 ADRVGIWR 0.4
74 ARWPGIWR 0.4
75 ALWPGWMR 0.4
76 ADFPGWHR 0.41
77 ARWPGIMR 0.41
78 GRRVGWWR 0.41
79 ADRVGIMR 0.41
80 ARWVGFWR 0.42
81 ALFPGWWR 0.42
82 GRRVGWMR 0.42
83 ALWPGWHR 0.42
84 ADRVGIHR 0.43
85 ARFPGIWR 0.43
86 ARWPGIHR 0.43
87 ADRRGWWR 0.43
88 ARWVGFMR 0.43
89 ALFPGWMR 0.43
90 ARFPGIMR 0.44
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 ALRVGWWR

1.21

-2.41

-1.2
2 ARRVGWMR

1.94

-3.09

-1.15
3 ARRVGWWR

1.32

-2.16

-0.84
4 ARFVGWMR

2.64

-2.76

-0.12
5 ARRRGWWR

1.93

-1.96

-0.03
6 ARFVGWWR

2.61

-2.62

-0.01
7 ALRVGWHR

1.63

-1.54

0.09
8 ALRVGWMR

3.62

-3.5

0.12
9 ARWVGWMR

3.64

-3.49

0.15
10 ARWVGWWR

3.38

-3.16

0.22
11 ARRVGIMR

3.53

-3.3

0.23
12 ADWVGWMR

3.32

-2.93

0.39
13 ARRVGIWR

4.03

-3.38

0.65
14 ARFPGWMR

3.57

-2.85

0.72
15 ARWPGWWR

3.29

-2.48

0.81
16 ARRPGWMR

3.97

-3.15

0.82
17 ARRVGWHR

3.38

-2.55

0.83
18 ARFPGWWR

3.32

-2.47

0.85
19 ADRVGWMR

3.67

-2.8

0.87
20 ARRPGWWR

3.36

-2.43

0.93
21 ARFVGWHR

2.55

-1.55

1.0
22 ADRVGWWR

3.52

-2.43

1.09
23 ARWPGWMR

3.79

-2.64

1.15
24 ADWVGWWR

3.71

-2.3

1.41
25 ARRPGWHR

3.2

-1.76

1.44
26 ARWVGWHR

3.72

-2.28

1.44
27 ARRVGIHR

3.68

-1.96

1.72
28 ARFPGWHR

3.58

-1.72

1.86
29 ARWPGWHR

3.54

-1.51

2.03
30 ADRVGWHR

3.62

-1.56

2.06

 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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