Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1RUW-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 1.382 ΔGbinding -3.455
TOTAL
 -2.073
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.130
Van der Waals -4.092 Backbone clash 0.070
Electrostatics 0.180 Helix dipole 0.000
Solvation Polar 4.196 Water bridges -0.046
Solvation Hyd -5.663 Disulfide 0.000
VdW clashes 0.175 Electrost. Kon 0.224
Entropy sc 0.595 Part.cov.bonds 0.000
Entropy mc

3.395

 ΔGstability

2.473
       

Predicted ligand sequences for model [MYO5_1RUW-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_1RUW-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 RMPMRGHHY 0.0
2 RMFMRGHHY 0.1
3 RMPMRGHHL 0.1
4 RMRMRGHHY 0.13
5 RMFMRGHHL 0.2
6 RMPMWGHHY 0.21
7 RMRMRGHHL 0.23
8 RMPKRGHHY 0.26
9 RMPFRGHHY 0.26
10 RMPMRGHHI 0.3
11 RMFMWGHHY 0.31
12 RMPMWGHHL 0.31
13 RMRMWGHHY 0.35
14 RMFKRGHHY 0.35
15 RMFFRGHHY 0.36
16 RMPKRGHHL 0.36
17 RMPFRGHHL 0.36
18 RMRKRGHHY 0.39
19 RMFMRGHHI 0.4
20 RMRFRGHHY 0.4
21 RMFMWGHHL 0.41
22 RMRMRGHHI 0.43
23 RMRMWGHHL 0.44
24 RMPMRGHLY 0.45
25 RMFKRGHHL 0.45
26 RMFFRGHHL 0.46
27 RMPKWGHHY 0.47
28 RMPFWGHHY 0.47
29 RMRKRGHHL 0.49
30 RMRFRGHHL 0.49
31 RMPMWGHHI 0.51
32 RMFMRGHLY 0.55
33 RMPMRGHLL 0.55
34 RMPKRGHHI 0.56
35 RMPFRGHHI 0.56
36 RMFKWGHHY 0.57
37 RMFFWGHHY 0.57
38 RMPKWGHHL 0.57
39 RMPFWGHHL 0.57
40 RMRMRGHLY 0.58
41 RMRKWGHHY 0.6
42 RMFMWGHHI 0.61
43 RMRFWGHHY 0.61
44 RMFMRGHLL 0.65
45 RMRMWGHHI 0.65
46 RMFKRGHHI 0.65
47 RMFFRGHHI 0.66
48 RMPMWGHLY 0.66
49 RMFKWGHHL 0.67
50 RMFFWGHHL 0.67
51 RMRMRGHLL 0.68
52 RMRKRGHHI 0.69
53 RMRFRGHHI 0.69
54 RMRKWGHHL 0.7
55 RMPFRGHLY 0.71
56 RMRFWGHHL 0.71
57 RMPKRGHLY 0.71
58 RMPMRGHLI 0.75
59 RMFMWGHLY 0.76
60 RMPMWGHLL 0.76
61 RMPKWGHHI 0.77
62 RMPFWGHHI 0.77
63 RMRMWGHLY 0.79
64 RMPKRGHLL 0.8
65 RMFKRGHLY 0.8
66 RMPFRGHLL 0.81
67 RMFFRGHLY 0.81
68 RMRKRGHLY 0.84
69 RMFMRGHLI 0.84
70 RMRFRGHLY 0.84
71 RMFMWGHLL 0.86
72 RMFKWGHHI 0.87
73 RMFFWGHHI 0.87
74 RMRMRGHLI 0.88
75 RMRMWGHLL 0.89
76 RMRKWGHHI 0.9
77 RMFKRGHLL 0.9
78 RMRFWGHHI 0.91
79 RMFFRGHLL 0.91
80 RMPFWGHLY 0.92
81 RMPKWGHLY 0.92
82 RMRFRGHLL 0.94
83 RMRKRGHLL 0.94
84 RMPMWGHLI 0.96
85 RMPKRGHLI 1.0
86 RMPFRGHLI 1.01
87 RMPFWGHLL 1.02
88 RMFKWGHLY 1.02
89 RMFFWGHLY 1.02
90 RMPKWGHLL 1.02
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RMRMRGHHI

2.44

-9.05

-6.61
2 RMFMWGHHL

1.96

-8.19

-6.23
3 RMFMRGHHI

2.09

-8.21

-6.12
4 RMFMRGHHY

2.53

-8.54

-6.01
5 RMFKRGHHY

2.5

-8.48

-5.98
6 RMRMRGHHY

2.43

-8.36

-5.93
7 RMPMWGHHY

2.6

-8.5

-5.9
8 RMFMRGHHL

1.78

-7.66

-5.88
9 RMPMRGHHI

2.45

-8.27

-5.82
10 RMRMRGHHL

2.55

-8.27

-5.72
11 RMPMWGHHL

1.9

-7.59

-5.69
12 RMPMRGHHY

1.52

-7.1

-5.58
13 RMRMWGHHY

1.83

-7.37

-5.54
14 RMPMRGHLY

1.95

-7.27

-5.32
15 RMFMWGHHY

1.63

-6.94

-5.31
16 RMRKRGHHL

2.23

-7.53

-5.3
17 RMPKWGHHY

2.55

-7.82

-5.27
18 RMPMRGHHL

2.35

-7.52

-5.17
19 RMRMWGHHL

1.89

-6.97

-5.08
20 RMPKRGHHL

2.43

-7.34

-4.91
21 RMFKRGHHL

2.07

-6.96

-4.89
22 RMFFRGHHL

2.83

-7.57

-4.74
23 RMPKRGHHY

1.61

-6.0

-4.39
24 RMPFRGHHL

2.69

-6.41

-3.72
25 RMRKRGHHY

2.12

-5.64

-3.52
26 RMFFRGHHY

2.73

-5.15

-2.42
27 RMRFRGHHL

4.46

-6.76

-2.3
28 RMPFRGHHY

5.82

-7.21

-1.39
29 RMRFRGHHY

3.94

-5.1

-1.16
30 RMPFWGHHY

4.51

-5.46

-0.95

 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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