Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_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 1.298 ΔGbinding -3.446
TOTAL
 -2.148
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.133
Van der Waals -4.097 Backbone clash 0.069
Electrostatics 0.194 Helix dipole 0.000
Solvation Polar 4.156 Water bridges -0.037
Solvation Hyd -5.697 Disulfide 0.000
VdW clashes 0.172 Electrost. Kon 0.240
Entropy sc 0.610 Part.cov.bonds 0.000
Entropy mc

3.429

 ΔGstability

7.466
       

Predicted ligand sequences for model [MYO3_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).
 
  MYO3_1RUW-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 RMPMRGHMW 0.0
2 RMFMRGHMW 0.1
3 RMPMRGHLW 0.1
4 RMRMRGHMW 0.14
5 RMPMRGHML 0.16
6 RMFMRGHLW 0.2
7 RMPMWGHMW 0.2
8 RMRMRGHLW 0.24
9 RMFMRGHML 0.26
10 RMPMRGHLL 0.26
11 RMPMRGHMP 0.26
12 RMFMWGHMW 0.3
13 RMRMRGHML 0.3
14 RMPMWGHLW 0.31
15 RMRMWGHMW 0.34
16 RMFMRGHLL 0.36
17 RMFMRGHMP 0.36
18 RMPMRGHLP 0.36
19 RMPMWGHML 0.36
20 RKPMRGHMW 0.37
21 RMFMWGHLW 0.4
22 RMRMRGHLL 0.4
23 RMRMRGHMP 0.4
24 RMRMWGHLW 0.44
25 RRPMRGHMW 0.45
26 RMFMRGHLP 0.46
27 RMPMWGHMP 0.46
28 RMFMWGHML 0.46
29 RKFMRGHMW 0.47
30 RMPMWGHLL 0.47
31 RKPMRGHLW 0.48
32 RMRMWGHML 0.5
33 RMRMRGHLP 0.5
34 RKRMRGHMW 0.51
35 RKPMRGHML 0.54
36 RRFMRGHMW 0.55
37 RRPMRGHLW 0.55
38 RMFMWGHMP 0.56
39 RKFMRGHLW 0.57
40 RMFMWGHLL 0.57
41 RMPMWGHLP 0.57
42 RKPMWGHMW 0.58
43 RRRMRGHMW 0.58
44 RMRMWGHMP 0.6
45 RMRMWGHLL 0.6
46 RKRMRGHLW 0.61
47 RRPMRGHML 0.61
48 RKPMRGHMP 0.63
49 RKFMRGHML 0.63
50 RKPMRGHLL 0.64
51 RRPMWGHMW 0.65
52 RRFMRGHLW 0.65
53 RMFMWGHLP 0.67
54 RKRMRGHML 0.67
55 RKFMWGHMW 0.68
56 RKPMWGHLW 0.68
57 RRRMRGHLW 0.69
58 RMRMWGHLP 0.7
59 RRFMRGHML 0.71
60 RKRMWGHMW 0.71
61 RRPMRGHMP 0.71
62 RRPMRGHLL 0.71
63 RKFMRGHMP 0.73
64 RKPMWGHML 0.74
65 RKPMRGHLP 0.74
66 RKFMRGHLL 0.74
67 RRRMRGHML 0.74
68 RRPMWGHLW 0.75
69 RRFMWGHMW 0.75
70 RKRMRGHLL 0.77
71 RKRMRGHMP 0.77
72 RKFMWGHLW 0.78
73 RRRMWGHMW 0.79
74 RRPMWGHML 0.81
75 RRFMRGHMP 0.81
76 RRFMRGHLL 0.81
77 RRPMRGHLP 0.81
78 RKRMWGHLW 0.82
79 RKFMRGHLP 0.83
80 RKPMWGHMP 0.84
81 RKFMWGHML 0.84
82 RRRMRGHMP 0.84
83 RKPMWGHLL 0.84
84 RRFMWGHLW 0.85
85 RRRMRGHLL 0.85
86 RKRMRGHLP 0.87
87 RKRMWGHML 0.88
88 RRRMWGHLW 0.89
89 RRPMWGHMP 0.91
90 RRFMWGHML 0.91
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RMFMRGHML

1.88

-9.5

-7.62
2 RMPMWGHML

2.29

-9.83

-7.54
3 RMRMRGHLL

1.86

-9.07

-7.21
4 RMFMRGHLL

1.79

-8.95

-7.16
5 RMPMRGHML

2.58

-9.73

-7.15
6 RMPMRGHLL

1.65

-8.74

-7.09
7 RMRMRGHML

2.6

-9.67

-7.07
8 RMFMWGHML

2.21

-9.28

-7.07
9 RMPMWGHLL

1.53

-8.59

-7.06
10 RMRMRGHMW

1.96

-8.91

-6.95
11 RMPMRGHMW

1.5

-8.29

-6.79
12 RMRMWGHMW

1.89

-8.56

-6.67
13 RMFMRGHMW

2.19

-8.73

-6.54
14 RMFMWGHMW

2.0

-8.49

-6.49
15 RKFMRGHMW

1.93

-8.24

-6.31
16 RMPMRGHMP

2.42

-8.69

-6.27
17 RMPMRGHLW

1.43

-7.66

-6.23
18 RMPMWGHMW

1.67

-7.55

-5.88
19 RMFMRGHMP

2.29

-8.04

-5.75
20 RKPMRGHMW

2.61

-8.17

-5.56
21 RMRMRGHMP

2.36

-7.86

-5.5
22 RMPMWGHMP

2.28

-7.76

-5.48
23 RMFMRGHLP

2.5

-7.95

-5.45
24 RMRMWGHLW

1.37

-6.76

-5.39
25 RRPMRGHMW

2.19

-7.55

-5.36
26 RMFMWGHLW

1.63

-6.98

-5.35
27 RMPMWGHLW

1.69

-7.02

-5.33
28 RMPMRGHLP

3.38

-8.7

-5.32
29 RMFMRGHLW

1.57

-6.88

-5.31
30 RMRMRGHLW

1.72

-6.8

-5.08

 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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