Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_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 0.922 ΔGbinding 2.089
TOTAL
 3.011
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.519
Van der Waals -3.553 Backbone clash 0.131
Electrostatics 0.203 Helix dipole 0.000
Solvation Polar 4.104 Water bridges 0.000
Solvation Hyd -4.947 Disulfide 0.000
VdW clashes 3.424 Electrost. Kon 0.273
Entropy sc 0.493 Part.cov.bonds 0.000
Entropy mc

2.847

 ΔGstability

8.621
       

Predicted ligand sequences for model [MYO5_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).
 
  MYO5_1RUW-16.PDB  

(data)
# Predicted Sequences Value Calculate
1 YRPLPGRRW 0.0
2 YKPLPGRRW 0.04
3 YLPLPGRRW 0.05
4 RRPLPGRRW 0.14
5 YRPLPGRRF 0.14
6 RLPLPGRRW 0.18
7 YKPLPGRRF 0.18
8 RKPLPGRRW 0.18
9 YLPLPGRRF 0.18
10 YRFLPGRRW 0.23
11 YRPIPGRRW 0.25
12 YRLLPGRRW 0.26
13 RRPLPGRRF 0.27
14 YKFLPGRRW 0.27
15 YLFLPGRRW 0.28
16 YKPIPGRRW 0.29
17 YLPIPGRRW 0.3
18 YKLLPGRRW 0.3
19 YLLLPGRRW 0.3
20 RKPLPGRRF 0.31
21 RLPLPGRRF 0.32
22 RRFLPGRRW 0.37
23 YRPLDGRRW 0.37
24 YRFLPGRRF 0.37
25 RRPIPGRRW 0.39
26 YRPIPGRRF 0.39
27 YRLLPGRRF 0.39
28 RRLLPGRRW 0.39
29 YKPLDGRRW 0.41
30 YKFLPGRRF 0.41
31 RKFLPGRRW 0.41
32 RKPIPGRRW 0.42
33 RLFLPGRRW 0.42
34 YLPLDGRRW 0.42
35 YKPIPGRRF 0.42
36 YLFLPGRRF 0.42
37 YLPIPGRRF 0.43
38 RKLLPGRRW 0.43
39 YKLLPGRRF 0.43
40 RLPIPGRRW 0.43
41 RLLLPGRRW 0.44
42 YLLLPGRRF 0.44
43 YRPLNGRRW 0.46
44 YRFIPGRRW 0.48
45 WRPLPGRRW 0.48
46 YKPLNGRRW 0.49
47 RRFLPGRRF 0.5
48 YLPLNGRRW 0.5
49 YRPLDGRRF 0.51
50 YRLIPGRRW 0.51
51 RRPLDGRRW 0.51
52 RRPIPGRRF 0.52
53 YKFIPGRRW 0.52
54 WKPLPGRRW 0.52
55 YLFIPGRRW 0.53
56 RRLLPGRRF 0.53
57 WLPLPGRRW 0.53
58 YKLIPGRRW 0.54
59 RKFLPGRRF 0.54
60 YKPLDGRRF 0.55
61 RKPLDGRRW 0.55
62 YLLIPGRRW 0.55
63 RLFLPGRRF 0.55
64 YLPLDGRRF 0.55
65 RLPLDGRRW 0.55
66 RKPIPGRRF 0.56
67 RKLLPGRRF 0.57
68 RLPIPGRRF 0.57
69 RLLLPGRRF 0.58
70 RRPLNGRRW 0.59
71 YRPLNGRRF 0.59
72 YRFLDGRRW 0.6
73 WRPLPGRRF 0.61
74 YRPIDGRRW 0.62
75 YRFIPGRRF 0.62
76 RRFIPGRRW 0.62
77 RKPLNGRRW 0.63
78 YKPLNGRRF 0.63
79 YRLLDGRRW 0.63
80 YKFLDGRRW 0.64
81 RRLIPGRRW 0.64
82 YRLIPGRRF 0.64
83 YLPLNGRRF 0.64
84 RRPLDGRRF 0.64
85 RLPLNGRRW 0.64
86 YLFLDGRRW 0.65
87 WKPLPGRRF 0.65
88 YKFIPGRRF 0.66
89 WLPLPGRRF 0.66
90 RKFIPGRRW 0.66
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 YLPLPGRRF

2.53

-7.84

-5.31
2 YKFLPGRRF

1.59

-6.8

-5.21
3 YRFLPGRRW

1.74

-6.7

-4.96
4 YKLLPGRRW

1.51

-6.34

-4.83
5 YRLLPGRRF

1.87

-6.39

-4.52
6 YKPLDGRRW

1.84

-6.3

-4.46
7 YLFLPGRRW

2.84

-6.93

-4.09
8 YRPIPGRRF

3.23

-7.31

-4.08
9 RLPLPGRRF

2.49

-6.45

-3.96
10 YKFLPGRRW

2.47

-6.43

-3.96
11 YRLLPGRRW

1.58

-5.45

-3.87
12 YRPLDGRRW

1.96

-5.79

-3.83
13 YLLLPGRRW

1.75

-5.52

-3.77
14 YRFLPGRRF

2.6

-6.29

-3.69
15 YLPLPGRRW

2.26

-5.93

-3.67
16 YRPLPGRRW

1.82

-5.44

-3.62
17 RRFLPGRRW

2.11

-5.54

-3.43
18 YRPLPGRRF

1.77

-5.12

-3.35
19 RKPLPGRRF

2.19

-5.53

-3.34
20 RRPLPGRRW

1.93

-5.25

-3.32
21 YKPLPGRRW

2.54

-5.86

-3.32
22 RRLLPGRRW

1.66

-4.93

-3.27
23 YLPIPGRRW

2.39

-5.59

-3.2
24 YKPIPGRRW

2.5

-5.57

-3.07
25 YKPLPGRRF

3.26

-6.32

-3.06
26 RLPLPGRRW

1.58

-4.38

-2.8
27 RRPIPGRRW

2.21

-4.9

-2.69
28 YRPIPGRRW

2.17

-4.7

-2.53
29 RKPLPGRRW

2.88

-5.23

-2.35
30 RRPLPGRRF

2.55

-4.82

-2.27

 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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