Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1R6S-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
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 3.119 ΔGbinding 4.867
TOTAL
 7.986
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.521
Van der Waals -4.749 Backbone clash 0.011
Electrostatics 0.072 Helix dipole 0.000
Solvation Polar 5.512 Water bridges -0.169
Solvation Hyd -6.425 Disulfide 0.000
VdW clashes 3.422 Electrost. Kon 0.112
Entropy sc 0.662 Part.cov.bonds 0.000
Entropy mc

5.907

 ΔGstability

20.458
       

Predicted ligand sequences for model [MYO5_1R6S-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_1R6S-19.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRKMWGRRY 0.0
2 RRKMWGRHY 0.06
3 RRKMWGRRF 0.1
4 RRKMWGRHF 0.16
5 RRKMFGRRY 0.18
6 RRFMWGRRY 0.19
7 RRIMWGRRY 0.21
8 RDKMWGRRY 0.24
9 RRKMFGRHY 0.25
10 RRFMWGRHY 0.25
11 RRIMWGRHY 0.27
12 RRFMWGRRF 0.28
13 RRKMFGRRF 0.28
14 RRIMWGRRF 0.3
15 RDKMWGRHY 0.3
16 RRKMWGRRW 0.32
17 ARKMWGRRY 0.33
18 RDKMWGRRF 0.33
19 RRKMFGRHF 0.34
20 RRFMWGRHF 0.35
21 RRIMWGRHF 0.37
22 RRFMFGRRY 0.37
23 RRKMWGRHW 0.38
24 RRKRWGRRY 0.39
25 RRIMFGRRY 0.39
26 RDKMWGRHF 0.4
27 ARKMWGRHY 0.4
28 RDKMFGRRY 0.42
29 ARKMWGRRF 0.43
30 RRFMFGRHY 0.43
31 RDFMWGRRY 0.43
32 RRKRWGRHY 0.45
33 RDIMWGRRY 0.45
34 RRIMFGRHY 0.46
35 RRFMFGRRF 0.46
36 RRKMWGRKY 0.48
37 RRKRWGRRF 0.48
38 RDKMFGRHY 0.49
39 RDFMWGRHY 0.49
40 ARKMWGRHF 0.49
41 RRIMFGRRF 0.49
42 RRFMWGRRW 0.5
43 RRKMFGRRW 0.5
44 ARKMFGRRY 0.51
45 RDIMWGRHY 0.51
46 ARFMWGRRY 0.52
47 RDKMFGRRF 0.52
48 RDFMWGRRF 0.52
49 RRIMWGRRW 0.53
50 RRFMFGRHF 0.53
51 RDIMWGRRF 0.54
52 ARIMWGRRY 0.54
53 RRIMFGRHF 0.55
54 RRKRWGRHF 0.55
55 RRKMFGRHW 0.56
56 RDKMWGRRW 0.56
57 ADKMWGRRY 0.57
58 RRKRFGRRY 0.57
59 RRFMWGRHW 0.57
60 ARFMWGRHY 0.58
61 RDKMFGRHF 0.58
62 RRKMWGRKF 0.58
63 RRFRWGRRY 0.58
64 ARKMFGRHY 0.58
65 RRIMWGRHW 0.59
66 RDFMWGRHF 0.59
67 RRIRWGRRY 0.6
68 ARIMWGRHY 0.6
69 ARFMWGRRF 0.61
70 ARKMFGRRF 0.61
71 RDFMFGRRY 0.61
72 RDIMWGRHF 0.61
73 RDKMWGRHW 0.62
74 RDKRWGRRY 0.63
75 RDIMFGRRY 0.63
76 RRKRFGRHY 0.64
77 ADKMWGRHY 0.64
78 ARIMWGRRF 0.64
79 RRFRWGRHY 0.64
80 ARKMWGRRW 0.65
81 RRIRWGRHY 0.66
82 RRFMWGRKY 0.67
83 RDFMFGRHY 0.67
84 RRFRWGRRF 0.67
85 ADKMWGRRF 0.67
86 RRKMFGRKY 0.67
87 ARKMFGRHF 0.67
88 RRKRFGRRF 0.67
89 ARFMWGRHF 0.68
90 RDKRWGRHY 0.69
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RDKMWGRRF

3.37

-9.27

-5.9
2 RRKMWGRRY

3.78

-9.67

-5.89
3 RRFMWGRRY

3.58

-9.19

-5.61
4 RRKMFGRRY

3.57

-9.15

-5.58
5 RRFMFGRHY

3.54

-9.03

-5.49
6 RRKMFGRHF

3.52

-8.96

-5.44
7 RRIMWGRRF

3.87

-9.29

-5.42
8 RDKMWGRRY

3.57

-8.91

-5.34
9 RRKMWGRRF

3.8

-9.04

-5.24
10 RRFMWGRRF

3.96

-9.18

-5.22
11 RRKMFGRRF

3.71

-8.62

-4.91
12 RRKMWGRHY

4.25

-9.04

-4.79
13 RRFMWGRHF

4.12

-8.86

-4.74
14 RRIMFGRRY

3.72

-8.16

-4.44
15 RRFMFGRRY

3.64

-7.96

-4.32
16 RRIMWGRRY

4.39

-8.69

-4.3
17 RDKMWGRHY

4.37

-8.58

-4.21
18 RDKMFGRRY

4.22

-8.42

-4.2
19 RRKMFGRHY

4.55

-8.7

-4.15
20 RDKMWGRHF

4.5

-8.63

-4.13
21 RRIMWGRHY

3.96

-8.08

-4.12
22 RRKMWGRRW

3.52

-7.59

-4.07
23 RRKMWGRHF

4.38

-8.37

-3.99
24 RRKRWGRRY

3.47

-7.36

-3.89
25 RRKMWGRHW

3.55

-7.15

-3.6
26 RRIMWGRHF

4.22

-7.79

-3.57
27 RRFMWGRHY

3.85

-7.34

-3.49
28 ARKMWGRRF

3.66

-7.14

-3.48
29 ARKMWGRRY

3.46

-6.61

-3.15
30 ARKMWGRHY

4.4

-6.69

-2.29

 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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