Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1ZUY-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
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 1.228 ΔGbinding -3.478
TOTAL
 -2.250
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.154
Van der Waals -4.166 Backbone clash 0.085
Electrostatics 0.184 Helix dipole 0.000
Solvation Polar 4.471 Water bridges -0.059
Solvation Hyd -5.732 Disulfide 0.000
VdW clashes 0.234 Electrost. Kon 0.232
Entropy sc 0.597 Part.cov.bonds 0.000
Entropy mc

3.158

 ΔGstability

17.010
       

Predicted ligand sequences for model [MYO3_1ZUY-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).
 
  MYO3_1ZUY-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRPKRGHRY 0.0
2 RMPKRGHRY 0.07
3 RRRKRGHRY 0.16
4 RRPKRGKRY 0.17
5 RRKKRGHRY 0.2
6 RMRKRGHRY 0.23
7 RMPKRGKRY 0.25
8 RRPKRGHRF 0.25
9 RMKKRGHRY 0.27
10 RRPMRGHRY 0.28
11 RMPKRGHRF 0.32
12 RRRKRGKRY 0.33
13 RMPMRGHRY 0.36
14 RRKKRGKRY 0.37
15 RRPRRGHRY 0.37
16 RMRKRGKRY 0.4
17 RRRKRGHRF 0.41
18 RRPKRGKRF 0.42
19 RRRMRGHRY 0.44
20 RMKKRGKRY 0.44
21 RKPKRGHRY 0.44
22 RRPMRGKRY 0.45
23 RMPRRGHRY 0.45
24 RRKKRGHRF 0.45
25 RMRKRGHRF 0.48
26 RRPKRGHRR 0.48
27 RRKMRGHRY 0.48
28 RMPKRGKRF 0.49
29 RMRMRGHRY 0.51
30 RMKKRGHRF 0.52
31 RRPMRGHRF 0.53
32 RMPMRGKRY 0.53
33 RRRRRGHRY 0.53
34 RRPRRGKRY 0.55
35 RMKMRGHRY 0.55
36 RMPKRGHRR 0.55
37 RRKRRGHRY 0.57
38 RRRKRGKRF 0.58
39 RKRKRGHRY 0.6
40 RMPMRGHRF 0.6
41 RRRMRGKRY 0.61
42 RMRRRGHRY 0.61
43 RKPKRGKRY 0.61
44 RMPRRGKRY 0.62
45 RRKKRGKRF 0.62
46 RRPRRGHRF 0.62
47 RRRKRGHRR 0.64
48 RKKKRGHRY 0.64
49 RMKRRGHRY 0.65
50 RRKMRGKRY 0.65
51 RRPKRGKRR 0.65
52 RMRKRGKRF 0.65
53 RRKKRGHRR 0.68
54 RRRMRGHRF 0.69
55 RMKKRGKRF 0.69
56 RMRMRGKRY 0.69
57 RKPKRGHRF 0.69
58 RRPMRGKRF 0.7
59 RMPRRGHRF 0.7
60 RRRRRGKRY 0.7
61 RMRKRGHRR 0.71
62 RKPMRGHRY 0.72
63 RMPKRGKRR 0.73
64 RMKMRGKRY 0.73
65 RRKMRGHRF 0.73
66 RRKRRGKRY 0.74
67 RMKKRGHRR 0.75
68 RMRMRGHRF 0.76
69 RRPMRGHRR 0.76
70 RKRKRGKRY 0.77
71 RMPMRGKRF 0.78
72 RMRRRGKRY 0.78
73 RRRRRGHRF 0.78
74 RRPRRGKRF 0.79
75 RMKMRGHRF 0.8
76 RKPRRGHRY 0.81
77 RRRKRGKRR 0.81
78 RKKKRGKRY 0.81
79 RMKRRGKRY 0.82
80 RRKRRGHRF 0.82
81 RKRKRGHRF 0.84
82 RMPMRGHRR 0.84
83 RRKKRGKRR 0.85
84 RMRRRGHRF 0.85
85 RRPRRGHRR 0.85
86 RRRMRGKRF 0.86
87 RKPKRGKRF 0.86
88 RMPRRGKRF 0.87
89 RKRMRGHRY 0.88
90 RMKRRGHRF 0.89
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RMPMRGHRY

1.68

-10.58

-8.9
2 RMPKRGHRF

1.7

-10.46

-8.76
3 RMKKRGHRY

2.16

-10.68

-8.52
4 RMRKRGKRY

2.28

-10.57

-8.29
5 RMRKRGHRY

1.66

-9.87

-8.21
6 RRKMRGHRY

2.53

-10.64

-8.11
7 RMPRRGHRY

2.21

-10.24

-8.03
8 RRRKRGHRY

2.45

-10.44

-7.99
9 RMKKRGKRY

2.23

-10.2

-7.97
10 RRRMRGHRY

2.63

-10.49

-7.86
11 RRRKRGKRY

2.58

-10.35

-7.77
12 RMPKRGKRY

1.73

-9.41

-7.68
13 RMRMRGHRY

1.73

-9.41

-7.68
14 RRPKRGKRY

1.47

-9.09

-7.62
15 RRPMRGKRY

1.63

-9.18

-7.55
16 RMPKRGKRF

2.27

-9.81

-7.54
17 RRKKRGHRF

1.78

-9.29

-7.51
18 RRPRRGHRY

2.62

-10.1

-7.48
19 RRPMRGHRY

1.65

-9.03

-7.38
20 RMKKRGHRF

1.69

-9.0

-7.31
21 RRKKRGKRY

2.5

-9.68

-7.18
22 RRPKRGKRF

1.96

-9.07

-7.11
23 RRRKRGHRF

2.0

-8.94

-6.94
24 RKPKRGHRY

1.6

-8.54

-6.94
25 RRPKRGHRF

2.18

-9.1

-6.92
26 RMRKRGHRF

2.32

-9.1

-6.78
27 RMPKRGHRY

1.72

-8.43

-6.71
28 RRKKRGHRY

2.83

-8.78

-5.95
29 RRPKRGHRY

2.29

-8.22

-5.93
30 RRPKRGHRR

2.27

-7.87

-5.6

 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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