Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1ZUY-18.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 10
poly-Ala A A
A
A
A
G
 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    

(Help)

Intraclash 1.060 ΔGbinding 0.745
TOTAL
 1.805
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.656
Van der Waals -3.488 Backbone clash 0.935
Electrostatics 0.144 Helix dipole 0.000
Solvation Polar 3.768 Water bridges -0.065
Solvation Hyd -4.726 Disulfide 0.000
VdW clashes 2.041 Electrost. Kon 0.181
Entropy sc 0.608 Part.cov.bonds 0.000
Entropy mc

2.902

 ΔGstability

28.797
       

Predicted ligand sequences for model [MYO3_1ZUY-18.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_1ZUY-18.PDB  

(data)
# Predicted Sequences Value Calculate
1 RFPLNGHRWR 0.0
2 RFPLNGIRWR 0.02
3 YFPLNGHRWR 0.03
4 RRPLNGHRWR 0.04
5 YFPLNGIRWR 0.06
6 RFPINGHRWR 0.07
7 YRPLNGHRWR 0.07
8 RRPLNGIRWR 0.07
9 RFPINGIRWR 0.09
10 RFPLRGHRWR 0.09
11 YRPLNGIRWR 0.1
12 YFPINGHRWR 0.1
13 RFPLRGIRWR 0.11
14 RRPINGHRWR 0.11
15 YFPINGIRWR 0.12
16 YFPLRGHRWR 0.12
17 RRPINGIRWR 0.13
18 RRPLRGHRWR 0.13
19 YFPLRGIRWR 0.14
20 YRPINGHRWR 0.14
21 RRPLRGIRWR 0.15
22 RFPIRGHRWR 0.15
23 YRPLRGHRWR 0.16
24 YRPINGIRWR 0.17
25 RFPIRGIRWR 0.18
26 YRPLRGIRWR 0.19
27 YFPIRGHRWR 0.19
28 RFFLNGHRWR 0.2
29 RRPIRGHRWR 0.2
30 YFPIRGIRWR 0.21
31 RFLLNGHRWR 0.22
32 WFPLNGHRWR 0.22
33 RRPIRGIRWR 0.22
34 YFFLNGHRWR 0.23
35 YRPIRGHRWR 0.23
36 RFFLNGIRWR 0.23
37 RFLLNGIRWR 0.24
38 RRFLNGHRWR 0.24
39 YFLLNGHRWR 0.25
40 YRPIRGIRWR 0.25
41 WFPLNGIRWR 0.25
42 RRLLNGHRWR 0.26
43 YFFLNGIRWR 0.26
44 RFFINGHRWR 0.27
45 RRFLNGIRWR 0.27
46 YFLLNGIRWR 0.27
47 WRPLNGHRWR 0.27
48 RRLLNGIRWR 0.28
49 YRFLNGHRWR 0.28
50 RFLINGHRWR 0.28
51 YRLLNGHRWR 0.29
52 RFFINGIRWR 0.29
53 RFPLNGNRWR 0.29
54 WFPINGHRWR 0.29
55 RFFLRGHRWR 0.29
56 WRPLNGIRWR 0.29
57 YFFINGHRWR 0.3
58 YRFLNGIRWR 0.3
59 RFLLRGHRWR 0.3
60 RRFINGHRWR 0.31
61 WFPINGIRWR 0.31
62 RFLINGIRWR 0.31
63 WFPLRGHRWR 0.31
64 RFFLRGIRWR 0.31
65 YFFLRGHRWR 0.32
66 YFLINGHRWR 0.32
67 YFPLNGNRWR 0.32
68 YFFINGIRWR 0.32
69 YRLLNGIRWR 0.32
70 RRPLNGNRWR 0.33
71 RRLINGHRWR 0.33
72 RFLLRGIRWR 0.33
73 RRFLRGHRWR 0.33
74 WRPINGHRWR 0.33
75 RFPLNGHRFR 0.33
76 RRFINGIRWR 0.34
77 WFPLRGIRWR 0.34
78 YFLINGIRWR 0.34
79 YRFINGHRWR 0.34
80 YFLLRGHRWR 0.34
81 YFFLRGIRWR 0.35
82 RRLINGIRWR 0.35
83 WRPLRGHRWR 0.35
84 RRLLRGHRWR 0.35
85 RFPLNGIRFR 0.35
86 YFPLNGHRFR 0.36
87 YRFLRGHRWR 0.36
88 RRFLRGIRWR 0.36
89 RFFIRGHRWR 0.36
90 RFPINGNRWR 0.36
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 YFPLRGHRWR

0.97

-6.97

-6.0
2 RFPLNGHRWR

1.11

-6.75

-5.64
3 YFPLRGIRWR

0.68

-6.08

-5.4
4 RRPLRGHRWR

1.11

-6.48

-5.37
5 YRPINGIRWR

1.31

-6.59

-5.28
6 RFPLRGIRWR

1.59

-6.74

-5.15
7 YFPLNGHRWR

0.93

-6.08

-5.15
8 YRPLRGIRWR

1.64

-6.75

-5.11
9 RFPLRGHRWR

1.06

-6.06

-5.0
10 YRPLNGHRWR

1.43

-6.43

-5.0
11 YFPLNGIRWR

1.09

-6.08

-4.99
12 RRPLNGHRWR

1.28

-6.27

-4.99
13 YFPIRGHRWR

0.97

-5.92

-4.95
14 RFPIRGHRWR

1.05

-5.91

-4.86
15 RFPLNGIRWR

1.03

-5.86

-4.83
16 YFPIRGIRWR

1.15

-5.92

-4.77
17 YRPLRGHRWR

1.13

-5.7

-4.57
18 RFPINGHRWR

1.29

-5.81

-4.52
19 YFPINGHRWR

1.09

-5.57

-4.48
20 RFFLNGHRWR

1.35

-5.8

-4.45
21 RFPIRGIRWR

1.26

-5.67

-4.41
22 YRPLNGIRWR

1.33

-5.62

-4.29
23 RRPLRGIRWR

1.54

-5.82

-4.28
24 YFPINGIRWR

0.93

-5.19

-4.26
25 RFPINGIRWR

1.47

-5.6

-4.13
26 RRPLNGIRWR

1.4

-5.27

-3.87
27 RRPINGIRWR

1.41

-5.2

-3.79
28 YRPINGHRWR

1.38

-5.02

-3.64
29 RRPIRGHRWR

1.22

-4.78

-3.56
30 RRPINGHRWR

1.38

-4.83

-3.45

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER