Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1ZUY-5.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
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 0.208 ΔGbinding -3.435
TOTAL
 -3.227
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 1.323
Van der Waals -5.396 Backbone clash 0.199
Electrostatics -0.310 Helix dipole 0.000
Solvation Polar 5.652 Water bridges 0.000
Solvation Hyd -7.735 Disulfide 0.000
VdW clashes 2.084 Electrost. Kon -0.395
Entropy sc 0.980 Part.cov.bonds 0.000
Entropy mc

2.911

 ΔGstability

20.549
       

Predicted ligand sequences for model [MYO3_1ZUY-5.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-5.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRNRHFWDHF 0.0
2 RRNRHFWPHF 0.04
3 RRRRHFWDHF 0.11
4 RRRRHFWPHF 0.15
5 RRHRHFWDHF 0.17
6 RRFRHFWDHF 0.17
7 RRFRHFWPHF 0.21
8 RRHRHFWPHF 0.21
9 RRNRHFWDKF 0.23
10 RRNRHFWDHW 0.24
11 RRNRHFWPKF 0.28
12 RRNRHFWPHW 0.28
13 RRRRHFWDHW 0.34
14 RRRRHFWDKF 0.34
15 RRNRHFWHHF 0.37
16 RRRRHFWPKF 0.38
17 RRRRHFWPHW 0.39
18 RRHRHFWDHW 0.4
19 RRNRHFWSHF 0.4
20 RRHRHFWDKF 0.4
21 RRFRHFWDKF 0.4
22 RRFRHFWDHW 0.4
23 RRFRHFWPKF 0.44
24 RRNRHRWDHF 0.44
25 RRFRHFWPHW 0.45
26 RRHRHFWPKF 0.45
27 RRHRHFWPHW 0.45
28 RRRRHFWHHF 0.47
29 RRNRHFWDKW 0.47
30 RRNRHRWPHF 0.48
31 RRRRHFWSHF 0.51
32 RRNRHFWPKW 0.51
33 RRFRHFWHHF 0.53
34 RRHRHFWHHF 0.54
35 RRRRHRWDHF 0.55
36 RRFRHFWSHF 0.57
37 RRHRHFWSHF 0.57
38 RRRRHFWDKW 0.58
39 RRRRHRWPHF 0.59
40 RRNRHFWHKF 0.6
41 RRFRHRWDHF 0.6
42 RRNRHFWHHW 0.6
43 RRHRHRWDHF 0.61
44 RRRRHFWPKW 0.62
45 RRNRHFWSKF 0.64
46 RRNRHFWSHW 0.64
47 RRHRHFWDKW 0.64
48 RRFRHFWDKW 0.64
49 RRHRHRWPHF 0.65
50 RRFRHRWPHF 0.65
51 RRNRHRWDKF 0.67
52 RRHRHFWPKW 0.68
53 RRNRHRWDHW 0.68
54 RRFRHFWPKW 0.68
55 RRRRHFWHHW 0.71
56 RRRRHFWHKF 0.71
57 RRNRHRWPKF 0.72
58 RRNRHRWPHW 0.72
59 RRRRHFWSHW 0.74
60 RRRRHFWSKF 0.74
61 RRFRHFWHKF 0.77
62 RRHRHFWHKF 0.77
63 RRHRHFWHHW 0.77
64 RRFRHFWHHW 0.77
65 RRRRHRWDKF 0.78
66 RRRRHRWDHW 0.78
67 RRFRHFWSHW 0.8
68 RRHRHFWSKF 0.8
69 RRFRHFWSKF 0.8
70 RRHRHFWSHW 0.81
71 RRNRHRWHHF 0.81
72 RRRRHRWPKF 0.82
73 RRRRHRWPHW 0.83
74 RRNRHRWSHF 0.84
75 RRHRHRWDKF 0.84
76 RRFRHRWDKF 0.84
77 RRHRHRWDHW 0.84
78 RRNRHFWHKW 0.84
79 RRFRHRWDHW 0.84
80 RRNRHFWSKW 0.87
81 RRFRHRWPKF 0.88
82 RRHRHRWPKF 0.89
83 RRHRHRWPHW 0.89
84 RRFRHRWPHW 0.89
85 RRNRHRWDKW 0.91
86 RRRRHRWHHF 0.91
87 RRRRHFWHKW 0.94
88 RRNRHRWPKW 0.95
89 RRRRHRWSHF 0.95
90 RRFRHRWHHF 0.97
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRRRHFWPKF

3.36

-8.94

-5.58
2 RRRRHFWPHW

3.99

-8.98

-4.99
3 RRRRHFWPHF

4.4

-8.75

-4.35
4 RRHRHFWPKF

3.95

-8.24

-4.29
5 RRFRHFWDHF

4.51

-8.51

-4.0
6 RRFRHFWPHF

3.78

-7.63

-3.85
7 RRRRHFWDHW

4.38

-7.97

-3.59
8 RRNRHRWDHF

2.9

-6.35

-3.45
9 RRFRHFWPKF

3.89

-7.34

-3.45
10 RRNRHFWPKF

4.31

-7.68

-3.37
11 RRHRHFWDKF

3.31

-6.54

-3.23
12 RRNRHFWHHF

4.29

-7.4

-3.11
13 RRRRHFWDKF

4.46

-7.5

-3.04
14 RRNRHFWSHF

4.3

-7.25

-2.95
15 RRNRHFWDHF

4.28

-7.19

-2.91
16 RRRRHFWHHF

3.12

-5.97

-2.85
17 RRFRHFWPHW

3.9

-6.64

-2.74
18 RRFRHFWDKF

4.64

-7.3

-2.66
19 RRHRHFWPHF

4.21

-6.73

-2.52
20 RRHRHFWPHW

4.37

-6.87

-2.5
21 RRNRHFWPHF

4.12

-6.57

-2.45
22 RRNRHFWDHW

3.74

-6.04

-2.3
23 RRFRHFWDHW

4.21

-6.44

-2.23
24 RRNRHFWDKF

4.24

-6.45

-2.21
25 RRHRHFWDHF

4.33

-6.39

-2.06
26 RRRRHFWDHF

4.2

-6.13

-1.93
27 RRNRHFWPHW

4.25

-6.14

-1.89
28 RRHRHFWDHW

5.48

-7.24

-1.76
29 RRNRHRWPHF

4.07

-5.63

-1.56
30 RRNRHFWDKW

4.26

-5.37

-1.11

 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