Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1R6S-17.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 1.402 ΔGbinding -0.521
TOTAL
 0.881
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.170
Van der Waals -4.437 Backbone clash 0.043
Electrostatics 0.209 Helix dipole 0.000
Solvation Polar 4.696 Water bridges -0.029
Solvation Hyd -6.165 Disulfide 0.000
VdW clashes 2.716 Electrost. Kon 0.266
Entropy sc 0.964 Part.cov.bonds 0.000
Entropy mc

4.138

 ΔGstability

12.516
       

Predicted ligand sequences for model [MYO3_1R6S-17.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_1R6S-17.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRKMWGRHR 0.0
2 RRKMRGRHR 0.0
3 RRFMRGRHR 0.06
4 RRFMWGRHR 0.06
5 RRRMWGRHR 0.08
6 RRRMRGRHR 0.08
7 RRIMWGRHR 0.09
8 RRIMRGRHR 0.09
9 RREMWGRHR 0.1
10 RREMRGRHR 0.1
11 RRKMWGRHY 0.12
12 RRKMRGRHY 0.12
13 RRFMRGRHY 0.18
14 RRFMWGRHY 0.18
15 RRRMWGRHY 0.2
16 RRKIRGRHR 0.2
17 RRKIWGRHR 0.2
18 RRRMRGRHY 0.2
19 RRIMWGRHY 0.21
20 RRIMRGRHY 0.21
21 RREMWGRHY 0.22
22 RREMRGRHY 0.22
23 RRFIWGRHR 0.27
24 RRFIRGRHR 0.27
25 RRRIRGRHR 0.28
26 RRRIWGRHR 0.28
27 RRIIRGRHR 0.29
28 RRIIWGRHR 0.29
29 RREIWGRHR 0.3
30 RREIRGRHR 0.3
31 RRKIRGRHY 0.32
32 RRKIWGRHY 0.32
33 RRFIWGRHY 0.38
34 RRFIRGRHY 0.38
35 RRRIRGRHY 0.4
36 RRRIWGRHY 0.4
37 RRIIRGRHY 0.41
38 RRIIWGRHY 0.41
39 RREIWGRHY 0.42
40 RREIRGRHY 0.42
41 YRKMRGRHR 0.62
42 YRKMWGRHR 0.62
43 RRKMFGRHR 0.63
44 RRKMWGRHF 0.65
45 RRKMRGRHF 0.65
46 YRFMWGRHR 0.68
47 YRFMRGRHR 0.68
48 YRRMWGRHR 0.7
49 YRRMRGRHR 0.7
50 RRFMFGRHR 0.7
51 RRRMFGRHR 0.71
52 RRFMRGRHF 0.71
53 YRIMWGRHR 0.71
54 YRIMRGRHR 0.71
55 RRFMWGRHF 0.71
56 YREMWGRHR 0.72
57 YREMRGRHR 0.72
58 RRIMFGRHR 0.72
59 RRRMWGRHF 0.73
60 RREMFGRHR 0.73
61 RRRMRGRHF 0.73
62 RRIMWGRHF 0.74
63 YRKMRGRHY 0.74
64 RRIMRGRHF 0.74
65 YRKMWGRHY 0.74
66 RRKMFGRHY 0.75
67 RREMWGRHF 0.75
68 RREMRGRHF 0.75
69 YRFMWGRHY 0.8
70 YRFMRGRHY 0.8
71 RRFMFGRHY 0.81
72 YRRMWGRHY 0.82
73 YRRMRGRHY 0.82
74 RRRMFGRHY 0.83
75 YRKIWGRHR 0.83
76 YRIMWGRHY 0.83
77 YRIMRGRHY 0.83
78 YRKIRGRHR 0.83
79 RRKIFGRHR 0.84
80 YREMWGRHY 0.84
81 YREMRGRHY 0.84
82 RRIMFGRHY 0.84
83 RRKIRGRHF 0.85
84 RRKIWGRHF 0.85
85 RREMFGRHY 0.85
86 YRFIRGRHR 0.89
87 YRFIWGRHR 0.89
88 YRRIRGRHR 0.9
89 RRFIFGRHR 0.9
90 YRRIWGRHR 0.9
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRRMWGRHY

3.16

-11.06

-7.9
2 RREMRGRHY

2.72

-10.54

-7.82
3 RRRMRGRHY

2.63

-10.23

-7.6
4 RRFMWGRHY

2.79

-9.81

-7.02
5 RRKMWGRHR

2.37

-9.29

-6.92
6 RRIMWGRHY

2.32

-9.1

-6.78
7 RRIMRGRHY

2.62

-9.33

-6.71
8 RRKMWGRHY

2.74

-9.43

-6.69
9 RRFMRGRHY

2.47

-8.8

-6.33
10 RRFMRGRHR

2.14

-8.45

-6.31
11 RRKMRGRHY

2.69

-8.82

-6.13
12 RRRIRGRHR

2.54

-8.53

-5.99
13 RREMWGRHY

2.4

-8.33

-5.93
14 RRFIWGRHR

2.77

-8.43

-5.66
15 RRRMRGRHR

2.76

-8.33

-5.57
16 RRRIWGRHR

2.45

-7.99

-5.54
17 RRFMWGRHR

2.81

-8.27

-5.46
18 RRKIWGRHR

2.57

-7.77

-5.2
19 RREMWGRHR

2.7

-7.85

-5.15
20 RRIMRGRHR

2.17

-7.26

-5.09
21 RREMRGRHR

2.08

-6.84

-4.76
22 RRFIRGRHR

2.56

-7.23

-4.67
23 RRIIWGRHR

2.62

-7.16

-4.54
24 RRRMWGRHR

2.37

-6.64

-4.27
25 RRIMWGRHR

2.25

-6.5

-4.25
26 RREIWGRHR

2.91

-7.11

-4.2
27 RRKMRGRHR

2.19

-6.28

-4.09
28 RRKIRGRHR

2.03

-5.65

-3.62
29 RRIIRGRHR

2.84

-6.41

-3.57
30 RREIRGRHR

2.88

-6.05

-3.17

 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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