Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1R6S-20.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 1.458 ΔGbinding -0.769
TOTAL
 0.689
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.057
Van der Waals -4.230 Backbone clash 0.068
Electrostatics 0.181 Helix dipole 0.000
Solvation Polar 4.577 Water bridges -0.072
Solvation Hyd -5.751 Disulfide 0.000
VdW clashes 2.372 Electrost. Kon 0.215
Entropy sc 0.882 Part.cov.bonds 0.000
Entropy mc

4.050

 ΔGstability

11.935
       

Predicted ligand sequences for model [MYO5_1R6S-20.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-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 RMRIRGYRY 0.0
2 RMPIRGYRY 0.01
3 RMRIRRYRY 0.02
4 RMPIRRYRY 0.03
5 RMKIRGYRY 0.06
6 RMKIRRYRY 0.08
7 RMPIRGYRP 0.12
8 RMRIRGYRP 0.12
9 RMHIRGYRY 0.13
10 RMPIRRYRP 0.14
11 RMRMRGYRY 0.14
12 RMRIRRYRP 0.14
13 RMHIRRYRY 0.15
14 RMPMRGYRY 0.15
15 RMRMRRYRY 0.16
16 RMPMRRYRY 0.17
17 RMKIRGYRP 0.17
18 RMFIRGYRY 0.19
19 RMKIRRYRP 0.19
20 RMKMRGYRY 0.2
21 RMFIRRYRY 0.22
22 RMKMRRYRY 0.22
23 RMHIRGYRP 0.25
24 RMRMRGYRP 0.26
25 RMPMRGYRP 0.26
26 RMRIRGYRF 0.27
27 RMHIRRYRP 0.27
28 RMPMRRYRP 0.28
29 RMPIRGYRF 0.28
30 RMRMRRYRP 0.28
31 RMHMRGYRY 0.28
32 RMRIRRYRF 0.29
33 RMPIRRYRF 0.3
34 RMHMRRYRY 0.3
35 RMFIRGYRP 0.31
36 RMKMRGYRP 0.31
37 RMKIRGYRF 0.33
38 RMFIRRYRP 0.33
39 RMKMRRYRP 0.33
40 RMRIRGYRL 0.34
41 RMFMRGYRY 0.34
42 RMKIRRYRF 0.35
43 RMPIRGYRL 0.35
44 RMFMRRYRY 0.36
45 RMRIRRYRL 0.36
46 RMPIRRYRL 0.37
47 RMRIRGYRW 0.38
48 RMPIRGYRW 0.39
49 RMHMRGYRP 0.39
50 RMHIRGYRF 0.4
51 RMKIRGYRL 0.4
52 RMPIRRYRW 0.41
53 RMRIRRYRW 0.41
54 RMRMRGYRF 0.41
55 RMHMRRYRP 0.41
56 RMKIRRYRL 0.42
57 RMPMRGYRF 0.42
58 RMRMRRYRF 0.43
59 RMHIRRYRF 0.43
60 RMPMRRYRF 0.44
61 RMKIRGYRW 0.44
62 RMFMRGYRP 0.45
63 RMKIRRYRW 0.46
64 RMKMRGYRF 0.47
65 RMFIRGYRF 0.47
66 RMHIRGYRL 0.47
67 RMFMRRYRP 0.47
68 RMRMRGYRL 0.48
69 RMPMRGYRL 0.49
70 RMFIRRYRF 0.49
71 RMKMRRYRF 0.49
72 RMHIRRYRL 0.5
73 RMPMRRYRL 0.51
74 RMRMRRYRL 0.51
75 RMHIRGYRW 0.52
76 RMRMRGYRW 0.53
77 RMPMRGYRW 0.53
78 RMKMRGYRL 0.54
79 RMFIRGYRL 0.54
80 RMHIRRYRW 0.54
81 RMPMRRYRW 0.55
82 RMRMRRYRW 0.55
83 RMHMRGYRF 0.55
84 RMFIRRYRL 0.56
85 RMKMRRYRL 0.56
86 RMHMRRYRF 0.57
87 RMFIRGYRW 0.58
88 RMKMRGYRW 0.58
89 RMFIRRYRW 0.6
90 RMKMRRYRW 0.6
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RMRIRGYRF

1.81

-9.95

-8.14
2 RMKMRGYRY

1.75

-9.64

-7.89
3 RMPMRGYRY

1.59

-9.09

-7.5
4 RMPIRRYRY

3.25

-10.54

-7.29
5 RMHIRGYRY

2.22

-9.4

-7.18
6 RMPIRGYRF

1.64

-8.8

-7.16
7 RMFIRGYRY

1.83

-8.76

-6.93
8 RMRIRGYRY

1.87

-8.79

-6.92
9 RMKIRGYRY

1.77

-8.6

-6.83
10 RMPIRGYRY

1.63

-8.37

-6.74
11 RMHIRRYRY

3.17

-9.89

-6.72
12 RMRIRRYRY

3.3

-9.95

-6.65
13 RMPMRGYRP

2.68

-9.26

-6.58
14 RMRMRGYRY

1.66

-8.18

-6.52
15 RMPMRRYRY

3.13

-9.54

-6.41
16 RMRMRGYRP

2.96

-9.37

-6.41
17 RMRMRRYRY

3.14

-9.51

-6.37
18 RMRIRGYRP

2.83

-9.0

-6.17
19 RMKMRRYRY

3.26

-9.39

-6.13
20 RMFIRRYRY

3.14

-9.25

-6.11
21 RMRMRRYRP

4.04

-10.11

-6.07
22 RMPIRRYRP

4.07

-10.01

-5.94
23 RMPMRRYRP

3.68

-9.55

-5.87
24 RMRIRRYRP

4.28

-9.96

-5.68
25 RMPIRGYRP

2.67

-8.3

-5.63
26 RMHIRGYRP

2.48

-8.06

-5.58
27 RMKIRRYRY

3.07

-8.64

-5.57
28 RMKIRGYRP

3.18

-8.23

-5.05
29 RMKIRRYRP

4.06

-8.78

-4.72
30 RMHIRRYRP

4.65

-8.58

-3.93

 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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