Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1RUW-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
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 1.393 ΔGbinding -2.009
TOTAL
 -0.616
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.233
Van der Waals -4.471 Backbone clash 0.038
Electrostatics 0.227 Helix dipole 0.000
Solvation Polar 4.702 Water bridges -0.050
Solvation Hyd -6.134 Disulfide 0.000
VdW clashes 0.417 Electrost. Kon 0.280
Entropy sc 0.638 Part.cov.bonds 0.000
Entropy mc

4.701

 ΔGstability

8.403
       

Predicted ligand sequences for model [MYO3_1RUW-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_1RUW-17.PDB  

(data)
# Predicted Sequences Value Calculate
1 RDWRRGHHF 0.0
2 RDWMRGHHF 0.08
3 RDIRRGHHF 0.1
4 RDIMRGHHF 0.17
5 RDPRRGHHF 0.23
6 RDWRRGKHF 0.3
7 RDPMRGHHF 0.31
8 RDWRWGHHF 0.32
9 RDWRRGHHI 0.36
10 RDWMRGKHF 0.38
11 RDWRRGHHL 0.38
12 RDWMWGHHF 0.39
13 RDIRRGKHF 0.4
14 RDIRWGHHF 0.41
15 RRWRRGHHF 0.42
16 RDWMRGHHI 0.43
17 RDIRRGHHI 0.45
18 RDWMRGHHL 0.46
19 RDWRRGPHF 0.46
20 RDIRRGHHL 0.48
21 RDIMRGKHF 0.48
22 RRWMRGHHF 0.49
23 RDIMWGHHF 0.49
24 RRIRRGHHF 0.51
25 RDWMRGPHF 0.53
26 RDIMRGHHI 0.53
27 RDPRRGKHF 0.54
28 RDIMRGHHL 0.55
29 RDPRWGHHF 0.55
30 RDIRRGPHF 0.55
31 RDPRRGHHI 0.59
32 RRIMRGHHF 0.59
33 RDPMRGKHF 0.61
34 RDPRRGHHL 0.61
35 RDWRWGKHF 0.62
36 RDPMWGHHF 0.63
37 RDIMRGPHF 0.63
38 RRPRRGHHF 0.65
39 RDWRRGKHI 0.66
40 RDPMRGHHI 0.67
41 RDWRRGKHL 0.68
42 RDWRWGHHI 0.68
43 RDPRRGPHF 0.69
44 RDPMRGHHL 0.69
45 RDWMWGKHF 0.7
46 RDWRWGHHL 0.7
47 RDIRWGKHF 0.72
48 RRWRRGKHF 0.72
49 RRPMRGHHF 0.73
50 RRWRWGHHF 0.73
51 RDWMRGKHI 0.74
52 RDWMWGHHI 0.75
53 RDWMRGKHL 0.76
54 RDIRRGKHI 0.76
55 RDPMRGPHF 0.77
56 RDWRWGPHF 0.77
57 RDWMWGHHL 0.77
58 RDIRWGHHI 0.77
59 RRWRRGHHI 0.77
60 RDIRRGKHL 0.78
61 RDIRWGHHL 0.79
62 RDIMWGKHF 0.79
63 RRWMRGKHF 0.8
64 RRWRRGHHL 0.8
65 RRWMWGHHF 0.81
66 RDWRRGPHI 0.81
67 RRIRRGKHF 0.82
68 RRIRWGHHF 0.83
69 RDIMRGKHI 0.83
70 RDWRRGPHL 0.83
71 RRWMRGHHI 0.85
72 RDPRWGKHF 0.85
73 RDWMWGPHF 0.85
74 RDIMWGHHI 0.85
75 RDIMRGKHL 0.86
76 RRWMRGHHL 0.87
77 RRIRRGHHI 0.87
78 RDIRWGPHF 0.87
79 RDIMWGHHL 0.87
80 RRWRRGPHF 0.87
81 RRIRRGHHL 0.89
82 RDWMRGPHI 0.89
83 RRIMRGKHF 0.89
84 RDPRRGKHI 0.9
85 RDWMRGPHL 0.91
86 RRIMWGHHF 0.91
87 RDPRWGHHI 0.91
88 RDIRRGPHI 0.91
89 RDPRRGKHL 0.92
90 RDPMWGKHF 0.93
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RDPMRGHHF

2.84

-9.15

-6.31
2 RDIMRGHHF

2.75

-8.52

-5.77
3 RDWRRGPHF

2.51

-8.2

-5.69
4 RDIMRGHHI

3.64

-9.18

-5.54
5 RDWMRGKHF

3.23

-8.61

-5.38
6 RDIMWGHHF

3.28

-8.51

-5.23
7 RRWMRGHHF

3.52

-8.55

-5.03
8 RDWRRGHHF

3.31

-8.31

-5.0
9 RDIRRGHHL

3.94

-8.87

-4.93
10 RRWRRGHHF

2.82

-7.61

-4.79
11 RDWRWGHHF

2.98

-7.69

-4.71
12 RDWMRGPHF

2.96

-7.53

-4.57
13 RDWMWGHHF

3.47

-8.0

-4.53
14 RDWMRGHHI

2.99

-7.38

-4.39
15 RRIRRGHHF

2.99

-7.38

-4.39
16 RDIRWGHHF

3.34

-7.58

-4.24
17 RDPRRGKHF

3.23

-7.2

-3.97
18 RDIRRGHHF

3.09

-7.02

-3.93
19 RDPRWGHHF

3.49

-7.39

-3.9
20 RDIRRGKHF

3.7

-7.49

-3.79
21 RDIRRGPHF

3.93

-7.71

-3.78
22 RDWRRGKHF

3.53

-7.28

-3.75
23 RDIMRGHHL

3.21

-6.77

-3.56
24 RDWMRGHHF

3.08

-6.51

-3.43
25 RDWRRGHHI

2.91

-6.24

-3.33
26 RDIRRGHHI

2.9

-6.17

-3.27
27 RDWMRGHHL

3.3

-6.48

-3.18
28 RDIMRGKHF

2.53

-5.69

-3.16
29 RDPRRGHHF

3.37

-6.16

-2.79
30 RDWRRGHHL

3.73

-6.46

-2.73

 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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