Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1RUW-13.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala A
A
A
A
 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 0.163 ΔGbinding -0.437
TOTAL
 -0.274
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.568
Van der Waals -3.484 Backbone clash 0.191
Electrostatics 0.108 Helix dipole 0.000
Solvation Polar 3.676 Water bridges -0.018
Solvation Hyd -4.516 Disulfide 0.000
VdW clashes 2.961 Electrost. Kon 0.135
Entropy sc 0.779 Part.cov.bonds 0.000
Entropy mc

1.903

 ΔGstability

6.563
       

Predicted ligand sequences for model [MYO3_1RUW-13.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-13.PDB  

(data)
# Predicted Sequences Value Calculate
1 YKRWFPFH 0.0
2 YKKWFPFH 0.03
3 YKEWFPFH 0.04
4 YKRWFPFY 0.16
5 MKRWFPFH 0.17
6 YLRWFPFH 0.19
7 YKKWFPFY 0.19
8 MKKWFPFH 0.2
9 YKEWFPFY 0.21
10 MKEWFPFH 0.21
11 YLKWFPFH 0.22
12 YLEWFPFH 0.24
13 YKRWFFFH 0.24
14 YKKWFFFH 0.27
15 YKEWFFFH 0.29
16 MKRWFPFY 0.33
17 YLRWFPFY 0.35
18 YKRWFPFR 0.35
19 YKRWFYFH 0.35
20 YKRWPPFH 0.35
21 MKKWFPFY 0.36
22 MLRWFPFH 0.36
23 MKEWFPFY 0.37
24 YKKWFYFH 0.38
25 YKKWPPFH 0.38
26 YKKWFPFR 0.38
27 YLKWFPFY 0.38
28 MLKWFPFH 0.39
29 YKEWPPFH 0.39
30 YKEWFPFR 0.39
31 YKEWFYFH 0.4
32 YLEWFPFY 0.4
33 YKRWFFFY 0.4
34 MLEWFPFH 0.4
35 MKRWFFFH 0.41
36 YKRWFPMH 0.43
37 YKKWFFFY 0.43
38 YLRWFFFH 0.43
39 MKKWFFFH 0.44
40 YKEWFFFY 0.45
41 MKEWFFFH 0.46
42 YLKWFFFH 0.46
43 YKKWFPMH 0.46
44 YKRWYPFH 0.47
45 YLEWFFFH 0.48
46 FKRWFPFH 0.48
47 YKEWFPMH 0.48
48 YKKWYPFH 0.5
49 FKKWFPFH 0.51
50 YKRWFYFY 0.51
51 YKRWPPFY 0.51
52 FKEWFPFH 0.52
53 MLRWFPFY 0.52
54 MKRWFYFH 0.52
55 MKRWPPFH 0.52
56 YKEWYPFH 0.52
57 MKRWFPFR 0.52
58 YLRWFPFR 0.54
59 YLRWFYFH 0.54
60 YKKWFYFY 0.54
61 YKKWPPFY 0.54
62 YLRWPPFH 0.54
63 MLKWFPFY 0.55
64 MKKWFYFH 0.55
65 YKEWPPFY 0.55
66 MKKWPPFH 0.55
67 MKKWFPFR 0.55
68 MKEWPPFH 0.56
69 MLEWFPFY 0.56
70 MKEWFPFR 0.56
71 YKEWFYFY 0.56
72 YLKWFYFH 0.57
73 YLKWPPFH 0.57
74 MKEWFYFH 0.57
75 MKRWFFFY 0.57
76 YLKWFPFR 0.57
77 YLEWPPFH 0.58
78 YKRWFPMY 0.59
79 YLEWFPFR 0.59
80 YKRWFFFR 0.59
81 YLEWFYFH 0.59
82 YKRWPFFH 0.59
83 YLRWFFFY 0.59
84 MLRWFFFH 0.6
85 MKRWFPMH 0.6
86 MKKWFFFY 0.6
87 YLRWFPMH 0.62
88 YKKWPFFH 0.62
89 MKEWFFFY 0.62
90 YLKWFFFY 0.62
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 YKKWPPFH

0.96

-9.34

-8.38
2 YKKWFPFH

1.14

-8.95

-7.81
3 YLKWFPFY

1.87

-9.67

-7.8
4 YLRWFPFH

1.47

-8.99

-7.52
5 YKEWFPFR

1.54

-9.05

-7.51
6 YKRWFPFY

1.56

-9.07

-7.51
7 YKEWPPFH

1.63

-9.08

-7.45
8 YKEWFPFH

1.14

-8.59

-7.45
9 YKRWPPFH

1.33

-8.76

-7.43
10 YLKWFPFH

1.44

-8.83

-7.39
11 YKKWFPFY

1.44

-8.81

-7.37
12 YKEWFPFY

1.89

-9.2

-7.31
13 YLEWFPFH

1.66

-8.85

-7.19
14 YKKWFPFR

1.3

-8.42

-7.12
15 YLRWFPFY

1.89

-8.98

-7.09
16 YKRWFPFR

1.77

-8.82

-7.05
17 MKKWFPFY

0.98

-7.93

-6.95
18 YKEWFFFH

1.29

-8.22

-6.93
19 MKRWFPFH

1.73

-8.63

-6.9
20 MKRWFPFY

0.96

-7.66

-6.7
21 YKKWFFFH

1.48

-8.11

-6.63
22 MLKWFPFH

1.43

-8.04

-6.61
23 YKRWFFFH

1.16

-7.75

-6.59
24 MKEWFPFY

1.27

-7.81

-6.54
25 MKEWFPFH

1.25

-7.77

-6.52
26 MLRWFPFH

1.52

-7.92

-6.4
27 YKRWFYFH

1.62

-7.95

-6.33
28 YKKWFYFH

1.13

-7.42

-6.29
29 MKKWFPFH

1.54

-7.81

-6.27
30 YKRWFPFH

1.53

-7.62

-6.09

 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