Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1RUW-16.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 0.673 ΔGbinding 2.077
TOTAL
 2.750
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.483
Van der Waals -3.532 Backbone clash 0.131
Electrostatics 0.220 Helix dipole 0.000
Solvation Polar 4.073 Water bridges 0.000
Solvation Hyd -4.908 Disulfide 0.000
VdW clashes 3.379 Electrost. Kon 0.289
Entropy sc 0.485 Part.cov.bonds 0.000
Entropy mc

2.862

 ΔGstability

12.164
       

Predicted ligand sequences for model [MYO3_1RUW-16.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-16.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRPIPGRRF 0.0
2 YRPIPGRRF 0.02
3 RRPLPGRRF 0.07
4 YRPLPGRRF 0.09
5 RRFIPGRRF 0.23
6 YRFIPGRRF 0.25
7 RRLIPGRRF 0.26
8 RRPIPGRRW 0.27
9 YRLIPGRRF 0.28
10 YRPIPGRRW 0.29
11 RRFLPGRRF 0.3
12 YRFLPGRRF 0.32
13 RRLLPGRRF 0.33
14 RRPLPGRRW 0.34
15 YRLLPGRRF 0.35
16 YRPLPGRRW 0.36
17 RRPIDGRRF 0.38
18 YRPIDGRRF 0.4
19 RRPIPGRRP 0.42
20 RRPMPGRRF 0.43
21 YRPIPGRRP 0.44
22 YRPMPGRRF 0.45
23 RRPLDGRRF 0.45
24 RRPINGRRF 0.46
25 YRPLDGRRF 0.47
26 YRPINGRRF 0.48
27 RRPLPGRRP 0.49
28 RRFIPGRRW 0.5
29 YRPLPGRRP 0.51
30 YRFIPGRRW 0.52
31 RRPLNGRRF 0.52
32 RRLIPGRRW 0.53
33 YRLIPGRRW 0.55
34 YRPLNGRRF 0.55
35 RRFLPGRRW 0.57
36 YRFLPGRRW 0.59
37 RRLLPGRRW 0.6
38 RRFIDGRRF 0.61
39 YRLLPGRRW 0.62
40 YRFIDGRRF 0.64
41 RRLIDGRRF 0.64
42 RRPIDGRRW 0.65
43 RRFIPGRRP 0.65
44 YRLIDGRRF 0.66
45 YRFIPGRRP 0.67
46 YRPIDGRRW 0.67
47 RRFMPGRRF 0.67
48 RRLIPGRRP 0.68
49 RRFLDGRRF 0.68
50 RRLMPGRRF 0.69
51 RRFINGRRF 0.69
52 YRFMPGRRF 0.69
53 RRPMPGRRW 0.7
54 YRFLDGRRF 0.7
55 YRLIPGRRP 0.7
56 RRLINGRRF 0.71
57 YRLMPGRRF 0.71
58 RRLLDGRRF 0.71
59 YRFINGRRF 0.71
60 RRFLPGRRP 0.72
61 RRPLDGRRW 0.72
62 YRPMPGRRW 0.73
63 RRPINGRRW 0.73
64 YRLLDGRRF 0.73
65 YRLINGRRF 0.73
66 RRLLPGRRP 0.74
67 YRPLDGRRW 0.74
68 YRFLPGRRP 0.74
69 YRPINGRRW 0.75
70 RRFLNGRRF 0.76
71 YRLLPGRRP 0.77
72 YRFLNGRRF 0.78
73 RRLLNGRRF 0.78
74 RRPIDGRRP 0.8
75 YRLLNGRRF 0.8
76 RRPLNGRRW 0.8
77 RRPMDGRRF 0.81
78 YRPIDGRRP 0.82
79 YRPLNGRRW 0.82
80 YRPMDGRRF 0.84
81 RRPMPGRRP 0.85
82 YRPMPGRRP 0.87
83 RRPINGRRP 0.87
84 RRPLDGRRP 0.87
85 RRPMNGRRF 0.89
86 YRPLDGRRP 0.89
87 RRFIDGRRW 0.89
88 YRPINGRRP 0.9
89 YRPMNGRRF 0.91
90 YRFIDGRRW 0.91
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRPIPGRRW

1.7

-6.87

-5.17
2 YRPLPGRRW

1.38

-5.9

-4.52
3 RRFIPGRRF

2.24

-6.61

-4.37
4 YRFLPGRRF

2.3

-6.48

-4.18
5 YRPLPGRRF

1.96

-6.05

-4.09
6 RRLIPGRRF

2.5

-6.28

-3.78
7 YRLIPGRRF

1.63

-5.38

-3.75
8 YRFIPGRRW

1.67

-4.98

-3.31
9 RRPLPGRRF

1.74

-5.03

-3.29
10 RRFLPGRRF

2.11

-5.36

-3.25
11 RRPLPGRRW

1.69

-4.94

-3.25
12 YRPINGRRF

2.02

-5.15

-3.13
13 YRPIPGRRP

2.31

-5.4

-3.09
14 YRPIPGRRF

1.54

-4.61

-3.07
15 YRFIPGRRF

1.78

-4.83

-3.05
16 RRFIPGRRW

2.13

-5.13

-3.0
17 YRPLDGRRF

1.88

-4.88

-3.0
18 YRPIDGRRF

1.81

-4.79

-2.98
19 RRLLPGRRF

2.2

-5.11

-2.91
20 YRPIPGRRW

2.68

-5.59

-2.91
21 RRPIPGRRF

2.05

-4.91

-2.86
22 RRPLDGRRF

2.09

-4.93

-2.84
23 YRLLPGRRF

2.61

-5.39

-2.78
24 RRPIDGRRF

1.79

-4.51

-2.72
25 YRPMPGRRF

2.47

-4.98

-2.51
26 RRPINGRRF

2.19

-4.45

-2.26
27 RRPLPGRRP

2.5

-4.64

-2.14
28 YRPLPGRRP

1.8

-3.89

-2.09
29 RRPMPGRRF

2.72

-4.79

-2.07
30 RRPIPGRRP

1.61

-3.49

-1.88

 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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