Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1R6S-25.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
poly-Ala 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 4.342 ΔGbinding 18.840
TOTAL
 23.182
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 1.113
Van der Waals -4.716 Backbone clash 4.631
Electrostatics 0.207 Helix dipole 0.000
Solvation Polar 5.204 Water bridges -0.041
Solvation Hyd -5.977 Disulfide 0.000
VdW clashes 19.661 Electrost. Kon 0.289
Entropy sc 0.875 Part.cov.bonds 0.000
Entropy mc

3.501

 ΔGstability

35.254
       

Predicted ligand sequences for model [MYO3_1R6S-25.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_1R6S-25.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRMPMGTRG 0.0
2 RRMPMGPRG 0.14
3 RRMPMGDRG 0.14
4 RRMPMRTRG 0.17
5 HRMPMGTRG 0.21
6 RRMPMFTRG 0.22
7 KRMPMGTRG 0.23
8 RRLPMGTRG 0.27
9 RRMPIGTRG 0.3
10 RRMPMRDRG 0.3
11 RRMPMRPRG 0.31
12 HRMPMGDRG 0.34
13 HRMPMGPRG 0.35
14 RRMPMFDRG 0.36
15 RRMPMFPRG 0.36
16 HRMPMRTRG 0.37
17 KRMPMGDRG 0.37
18 RRMPKGTRG 0.38
19 KRMPMGPRG 0.38
20 KRMPMRTRG 0.4
21 RRMPMGTPG 0.4
22 RRLPMGDRG 0.4
23 RRLPMGPRG 0.41
24 RHMPMGTRG 0.43
25 HRMPMFTRG 0.43
26 RRLPMRTRG 0.43
27 RRMPIGDRG 0.44
28 RRMPIGPRG 0.44
29 KRMPMFTRG 0.45
30 RRMEMGTRG 0.45
31 RRMPIRTRG 0.46
32 HRLPMGTRG 0.47
33 RRMKMGTRG 0.47
34 RRLPMFTRG 0.48
35 KRLPMGTRG 0.5
36 HRMPMRDRG 0.51
37 RRMPKGDRG 0.51
38 HRMPIGTRG 0.51
39 RRMPKGPRG 0.52
40 HRMPMRPRG 0.52
41 RRMPIFTRG 0.52
42 KRMPIGTRG 0.53
43 KRMPMRDRG 0.54
44 RRMPMGDPG 0.54
45 RRMPKRTRG 0.54
46 RRMPMGPPG 0.54
47 KRMPMRPRG 0.55
48 RRLPIGTRG 0.56
49 HRMPMFDRG 0.56
50 RRMPMRTPG 0.56
51 RHMPMGDRG 0.57
52 RRLPMRDRG 0.57
53 HRMPMFPRG 0.57
54 HRMPKGTRG 0.58
55 RRLPMRPRG 0.58
56 RHMPMGPRG 0.58
57 KRMPMFDRG 0.59
58 RRMEMGDRG 0.59
59 RRMPKFTRG 0.59
60 RRMEMGPRG 0.6
61 RRMPIRDRG 0.6
62 RHMPMRTRG 0.6
63 HRMPMGTPG 0.6
64 KRMPMFPRG 0.6
65 KRMPKGTRG 0.61
66 RRMKMGDRG 0.61
67 RRMKMGPRG 0.61
68 RRMPIRPRG 0.61
69 HRLPMGDRG 0.61
70 RRMEMRTRG 0.62
71 HRLPMGPRG 0.62
72 RRMPMFTPG 0.62
73 RRLPMFDRG 0.62
74 RRLPMFPRG 0.63
75 KRMPMGTPG 0.63
76 HHMPMGTRG 0.64
77 RRMKMRTRG 0.64
78 KRLPMGPRG 0.64
79 RRLPKGTRG 0.64
80 HRLPMRTRG 0.64
81 KRLPMGDRG 0.64
82 HRMPIGDRG 0.64
83 RHMPMFTRG 0.65
84 HRMPIGPRG 0.65
85 HRMEMGTRG 0.66
86 RRLPMGTPG 0.66
87 RRMPIFDRG 0.66
88 RRMPIFPRG 0.66
89 KRLPMRTRG 0.67
90 KRMPIGDRG 0.67
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRMPMRTRG

2.43

-2.93

-0.5
2 RRMPIGDRG

1.9

-2.33

-0.43
3 RRMPMFPRG

1.49

-1.65

-0.16
4 RRMPMRPRG

1.97

-2.03

-0.06
5 KRMPMGPRG

1.58

-1.57

0.01
6 RRMPMRDRG

1.58

-1.47

0.11
7 HRMPMFTRG

1.48

-1.33

0.15
8 HRMPMRTRG

2.02

-1.79

0.23
9 KRMPMFTRG

1.49

-1.21

0.28
10 RRMPMFDRG

1.6

-1.31

0.29
11 KRMPMRTRG

1.62

-1.26

0.36
12 RRMPMFTRG

1.5

-1.14

0.36
13 RRMPMGDRG

1.39

-0.9

0.49
14 HRMPMGPRG

1.29

-0.69

0.6
15 RRLPMGPRG

1.99

-1.37

0.62
16 RRMPMGPRG

1.54

-0.9

0.64
17 KRMPMGTRG

1.37

-0.71

0.66
18 RRMPIGPRG

1.59

-0.87

0.72
19 RRLPMGDRG

1.63

-0.88

0.75
20 KRMPMGDRG

1.38

-0.61

0.77
21 RRMPMGTPG

1.14

-0.13

1.01
22 RRMPMGTRG

1.42

-0.36

1.06
23 RRLPMRTRG

1.77

-0.69

1.08
24 RRMEMGTRG

1.49

-0.22

1.27
25 RRLPMGTRG

1.49

-0.13

1.36
26 RRMPIGTRG

1.82

-0.3

1.52
27 HRMPMGTRG

1.84

-0.13

1.71
28 HRMPMGDRG

2.3

0.04

2.34
29 RHMPMGTRG

2.42

0.18

2.6
30 RRMPKGTRG

2.43

0.59

3.02

 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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