Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1ZUY-19.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
G
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 0.620 ΔGbinding 3.121
TOTAL
 3.741
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.189
Van der Waals -4.606 Backbone clash 0.013
Electrostatics 0.159 Helix dipole 0.000
Solvation Polar 5.031 Water bridges 0.019
Solvation Hyd -6.360 Disulfide 0.000
VdW clashes 2.888 Electrost. Kon 0.211
Entropy sc 0.354 Part.cov.bonds 0.000
Entropy mc

5.234

 ΔGstability

13.781
       

Predicted ligand sequences for model [MYO5_1ZUY-19.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_1ZUY-19.PDB  

(data)
# Predicted Sequences Value Calculate
1 AMKMWGRHY 0.0
2 AMRMWGRHY 0.03
3 AMFMWGRHY 0.14
4 AMYMWGRHY 0.17
5 AMKRWGRHY 0.17
6 AMRRWGRHY 0.2
7 AMFRWGRHY 0.31
8 AMYRWGRHY 0.34
9 AMKKWGRHY 0.38
10 AMKMFGRHY 0.39
11 AMRKWGRHY 0.4
12 AMRMFGRHY 0.42
13 MMKMWGRHY 0.44
14 MMRMWGRHY 0.47
15 RMKMWGRHY 0.48
16 AMKMMGRHY 0.49
17 RMRMWGRHY 0.5
18 AMRMMGRHY 0.51
19 AMFKWGRHY 0.51
20 AMFMFGRHY 0.53
21 AMYKWGRHY 0.55
22 AMKRFGRHY 0.56
23 AMYMFGRHY 0.57
24 MMFMWGRHY 0.58
25 AMRRFGRHY 0.59
26 MMKRWGRHY 0.61
27 RMFMWGRHY 0.61
28 MMYMWGRHY 0.62
29 AMFMMGRHY 0.62
30 MMRRWGRHY 0.64
31 RMYMWGRHY 0.65
32 RMKRWGRHY 0.65
33 AMKRMGRHY 0.66
34 AMYMMGRHY 0.66
35 RMRRWGRHY 0.67
36 AMRRMGRHY 0.68
37 AMFRFGRHY 0.7
38 AMYRFGRHY 0.74
39 MMFRWGRHY 0.75
40 AMKKFGRHY 0.77
41 RMFRWGRHY 0.78
42 MMYRWGRHY 0.79
43 AMFRMGRHY 0.79
44 AMRKFGRHY 0.8
45 MMKKWGRHY 0.82
46 RMYRWGRHY 0.82
47 AMYRMGRHY 0.83
48 MMRKWGRHY 0.84
49 MMKMFGRHY 0.84
50 RMKKWGRHY 0.85
51 AMKKMGRHY 0.86
52 MMRMFGRHY 0.86
53 RMKMFGRHY 0.87
54 RMRKWGRHY 0.88
55 AMRKMGRHY 0.89
56 RMRMFGRHY 0.9
57 AMFKFGRHY 0.91
58 MMKMMGRHY 0.93
59 MMFKWGRHY 0.95
60 MMRMMGRHY 0.95
61 AMYKFGRHY 0.95
62 RMKMMGRHY 0.96
63 MMFMFGRHY 0.97
64 RMFKWGRHY 0.99
65 MMYKWGRHY 0.99
66 RMRMMGRHY 0.99
67 RMFMFGRHY 1.0
68 AMFKMGRHY 1.0
69 MMKRFGRHY 1.01
70 MMYMFGRHY 1.01
71 MMRRFGRHY 1.03
72 RMYKWGRHY 1.03
73 RMKRFGRHY 1.04
74 AMYKMGRHY 1.04
75 RMYMFGRHY 1.04
76 MMFMMGRHY 1.06
77 RMRRFGRHY 1.07
78 MMKRMGRHY 1.1
79 RMFMMGRHY 1.1
80 MMYMMGRHY 1.1
81 MMRRMGRHY 1.12
82 RMKRMGRHY 1.13
83 MMFRFGRHY 1.14
84 RMYMMGRHY 1.14
85 RMRRMGRHY 1.16
86 RMFRFGRHY 1.18
87 MMYRFGRHY 1.18
88 MMKKFGRHY 1.21
89 RMYRFGRHY 1.22
90 MMFRMGRHY 1.23
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RMFMWGRHY

2.83

-8.21

-5.38
2 MMKMWGRHY

2.83

-8.01

-5.18
3 MMFMWGRHY

2.68

-7.76

-5.08
4 MMYMWGRHY

2.61

-7.57

-4.96
5 MMKRWGRHY

2.94

-7.42

-4.48
6 MMRRWGRHY

2.87

-7.33

-4.46
7 MMRMWGRHY

3.16

-7.61

-4.45
8 AMYRWGRHY

2.8

-7.23

-4.43
9 AMRKWGRHY

2.41

-6.82

-4.41
10 AMYMWGRHY

2.79

-7.11

-4.32
11 RMKMWGRHY

3.22

-7.5

-4.28
12 AMKKWGRHY

2.6

-6.86

-4.26
13 AMFKWGRHY

2.84

-7.07

-4.23
14 RMRMWGRHY

3.02

-7.16

-4.14
15 AMFRWGRHY

3.2

-7.34

-4.14
16 AMYMFGRHY

2.68

-6.72

-4.04
17 AMRMWGRHY

3.54

-7.15

-3.61
18 AMRMFGRHY

3.2

-6.68

-3.48
19 AMKMFGRHY

2.99

-6.45

-3.46
20 AMRMMGRHY

3.42

-6.81

-3.39
21 AMKRFGRHY

3.13

-6.51

-3.38
22 AMRRFGRHY

3.18

-6.39

-3.21
23 AMRRWGRHY

3.12

-6.3

-3.18
24 AMKMWGRHY

2.81

-5.95

-3.14
25 AMKMMGRHY

3.14

-6.27

-3.13
26 AMFMMGRHY

2.98

-5.97

-2.99
27 AMFMFGRHY

3.14

-6.11

-2.97
28 AMYKWGRHY

3.31

-6.2

-2.89
29 AMKRWGRHY

2.74

-5.57

-2.83
30 AMFMWGRHY

2.99

-5.68

-2.69

 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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