Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1YP5-18.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
G
 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 0.166 ΔGbinding 1.853
TOTAL
 2.019
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.394
Van der Waals -3.589 Backbone clash 1.160
Electrostatics 0.146 Helix dipole 0.000
Solvation Polar 4.080 Water bridges -0.000
Solvation Hyd -4.836 Disulfide 0.000
VdW clashes 3.600 Electrost. Kon 0.175
Entropy sc 0.673 Part.cov.bonds 0.000
Entropy mc

2.485

 ΔGstability

13.830
       

Predicted ligand sequences for model [MYO3_1YP5-18.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_1YP5-18.PDB  

(data)
# Predicted Sequences Value Calculate
1 YPPIPGHRMY 0.0
2 YKPIPGHRMY 0.04
3 YPPIPGIRMY 0.05
4 YKPIPGIRMY 0.09
5 YPPLPGHRMY 0.1
6 YFPIPGHRMY 0.1
7 YPPIDGHRMY 0.14
8 YKPLPGHRMY 0.14
9 YPPLPGIRMY 0.15
10 RPPIPGHRMY 0.15
11 YFPIPGIRMY 0.15
12 YKPIDGHRMY 0.18
13 YKPLPGIRMY 0.19
14 YPFIPGHRMY 0.19
15 RKPIPGHRMY 0.19
16 YPPIDGIRMY 0.19
17 RPPIPGIRMY 0.2
18 YFPLPGHRMY 0.2
19 FPPIPGHRMY 0.21
20 YPPIKGHRMY 0.22
21 YKFIPGHRMY 0.23
22 YKPIDGIRMY 0.23
23 YPIIPGHRMY 0.23
24 YPPLDGHRMY 0.24
25 YPFIPGIRMY 0.24
26 YFPIDGHRMY 0.24
27 FKPIPGHRMY 0.24
28 RKPIPGIRMY 0.24
29 YFPLPGIRMY 0.24
30 RFPIPGHRMY 0.24
31 RPPLPGHRMY 0.25
32 FPPIPGIRMY 0.26
33 YKPIKGHRMY 0.26
34 YPPIKGIRMY 0.27
35 YKIIPGHRMY 0.27
36 YKFIPGIRMY 0.28
37 YKPLDGHRMY 0.28
38 YPIIPGIRMY 0.28
39 YFFIPGHRMY 0.28
40 YPPLDGIRMY 0.29
41 FKPIPGIRMY 0.29
42 YFPIDGIRMY 0.29
43 RFPIPGIRMY 0.29
44 RKPLPGHRMY 0.29
45 RPPIDGHRMY 0.29
46 YPFLPGHRMY 0.29
47 FFPIPGHRMY 0.3
48 RPPLPGIRMY 0.3
49 FPPLPGHRMY 0.31
50 YKPIKGIRMY 0.31
51 YFPIKGHRMY 0.32
52 YKIIPGIRMY 0.32
53 YPPLKGHRMY 0.32
54 YFIIPGHRMY 0.32
55 YPPIPGNRMY 0.32
56 YKPLDGIRMY 0.33
57 YFFIPGIRMY 0.33
58 RKPIDGHRMY 0.33
59 YPFIDGHRMY 0.33
60 RPFIPGHRMY 0.33
61 YKFLPGHRMY 0.33
62 YPILPGHRMY 0.33
63 FKPLPGHRMY 0.34
64 YFPLDGHRMY 0.34
65 YPFLPGIRMY 0.34
66 RKPLPGIRMY 0.34
67 RPPIDGIRMY 0.34
68 RFPLPGHRMY 0.34
69 YKPIPGNRMY 0.35
70 FFPIPGIRMY 0.35
71 FPPIDGHRMY 0.35
72 YKPLKGHRMY 0.36
73 FPPLPGIRMY 0.36
74 YPIIDGHRMY 0.37
75 YFPIKGIRMY 0.37
76 YPPLKGIRMY 0.37
77 RPPIKGHRMY 0.37
78 YKFIDGHRMY 0.37
79 YFIIPGIRMY 0.37
80 YKILPGHRMY 0.37
81 RKFIPGHRMY 0.37
82 RPIIPGHRMY 0.38
83 YKFLPGIRMY 0.38
84 RPFIPGIRMY 0.38
85 YPFIDGIRMY 0.38
86 RKPIDGIRMY 0.38
87 YFFLPGHRMY 0.38
88 YPILPGIRMY 0.38
89 RFPIDGHRMY 0.39
90 FPFIPGHRMY 0.39
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 YPPLPGIRMY

1.05

-4.85

-3.8
2 YPPLDGHRMY

1.07

-4.52

-3.45
3 YFPLPGIRMY

1.0

-3.75

-2.75
4 FPPIPGHRMY

1.09

-3.77

-2.68
5 YPPLPGHRMY

1.39

-3.99

-2.6
6 YPFIPGIRMY

1.23

-3.62

-2.39
7 YKPLPGIRMY

0.96

-3.28

-2.32
8 YKPIPGIRMY

0.95

-3.25

-2.3
9 YPPIDGIRMY

1.31

-3.58

-2.27
10 RPPIPGHRMY

1.36

-3.59

-2.23
11 YPIIPGHRMY

1.19

-3.39

-2.2
12 YFPLPGHRMY

0.89

-3.09

-2.2
13 RFPIPGHRMY

1.01

-3.02

-2.01
14 YPPIPGHRMY

1.3

-3.24

-1.94
15 YPPIKGHRMY

1.43

-3.17

-1.74
16 YPPIDGHRMY

1.26

-2.97

-1.71
17 YFPIPGIRMY

1.11

-2.82

-1.71
18 YFPIDGHRMY

1.06

-2.75

-1.69
19 YKPLPGHRMY

1.15

-2.84

-1.69
20 YPFIPGHRMY

1.89

-3.5

-1.61
21 YKPIDGIRMY

0.98

-2.51

-1.53
22 YKPIPGHRMY

1.09

-2.56

-1.47
23 YKFIPGHRMY

1.33

-2.77

-1.44
24 FKPIPGHRMY

1.12

-2.52

-1.4
25 YPPIPGIRMY

2.23

-3.57

-1.34
26 RKPIPGHRMY

1.22

-2.25

-1.03
27 RKPIPGIRMY

1.64

-2.64

-1.0
28 YFPIPGHRMY

1.8

-2.75

-0.95
29 RPPIPGIRMY

2.0

-2.83

-0.83
30 YKPIDGHRMY

1.29

-1.77

-0.48

 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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