Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1R6S-17.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
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 2.484 ΔGbinding -0.672
TOTAL
 1.812
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.209
Van der Waals -4.487 Backbone clash 0.039
Electrostatics 0.190 Helix dipole 0.000
Solvation Polar 4.625 Water bridges -0.028
Solvation Hyd -6.223 Disulfide 0.000
VdW clashes 2.697 Electrost. Kon 0.241
Entropy sc 0.967 Part.cov.bonds 0.000
Entropy mc

4.188

 ΔGstability

11.654
       

Predicted ligand sequences for model [MYO5_1R6S-17.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_1R6S-17.PDB  

(data)
# Predicted Sequences Value Calculate
1 RDFMRGHRY 0.0
2 RDKMRGHRY 0.03
3 RDFMWGHRY 0.03
4 RDFMRGHRR 0.04
5 RDKMWGHRY 0.06
6 RDKMRGHRR 0.07
7 RDFMWGHRR 0.07
8 RDLMRGHRY 0.08
9 RMFMRGHRY 0.1
10 RDKMWGHRR 0.1
11 RDFMRGRRY 0.11
12 RDLMWGHRY 0.11
13 RDLMRGHRR 0.12
14 RMFMWGHRY 0.12
15 RMFMRGHRR 0.13
16 RMKMRGHRY 0.13
17 RDFMRGRRR 0.14
18 RDKMRGRRY 0.14
19 RDLMWGHRR 0.14
20 RDFMWGRRY 0.14
21 RMKMWGHRY 0.16
22 RMFMWGHRR 0.16
23 RMKMRGHRR 0.17
24 RDKMWGRRY 0.17
25 RDFMWGRRR 0.17
26 RMLMRGHRY 0.18
27 RDKMRGRRR 0.18
28 RDLMRGRRY 0.19
29 RMKMWGHRR 0.19
30 RMLMWGHRY 0.2
31 RMFMRGRRY 0.2
32 RDKMWGRRR 0.2
33 RMLMRGHRR 0.21
34 RDLMWGRRY 0.21
35 RDLMRGRRR 0.22
36 RMFMWGRRY 0.23
37 RMKMRGRRY 0.24
38 RMLMWGHRR 0.24
39 RMFMRGRRR 0.24
40 RDLMWGRRR 0.25
41 RMKMWGRRY 0.26
42 RMKMRGRRR 0.27
43 RMFMWGRRR 0.27
44 RMLMRGRRY 0.28
45 RDFIRGHRY 0.28
46 RMKMWGRRR 0.3
47 RDKIRGHRY 0.31
48 RMLMWGRRY 0.31
49 RDFIWGHRY 0.31
50 RMLMRGRRR 0.32
51 RDFIRGHRR 0.32
52 RDKIWGHRY 0.34
53 RDFIWGHRR 0.34
54 RMLMWGRRR 0.35
55 RDKIRGHRR 0.35
56 RDLIRGHRY 0.36
57 RRFMRGHRY 0.37
58 RDKIWGHRR 0.38
59 RMFIRGHRY 0.38
60 RDFIRGRRY 0.39
61 RDLIWGHRY 0.39
62 RDLIRGHRR 0.39
63 RRKMRGHRY 0.4
64 RRFMWGHRY 0.4
65 RMFIWGHRY 0.4
66 RDFIWGRRY 0.41
67 RMFIRGHRR 0.41
68 RMKIRGHRY 0.41
69 RRFMRGHRR 0.41
70 RDFIRGRRR 0.42
71 RDFMRGKRY 0.42
72 RDLIWGHRR 0.42
73 RDKIRGRRY 0.42
74 RRFMWGHRR 0.43
75 RRKMWGHRY 0.43
76 RMKIWGHRY 0.44
77 RRKMRGHRR 0.44
78 RMFIWGHRR 0.44
79 RMKIRGHRR 0.44
80 RDKIWGRRY 0.45
81 RDFIWGRRR 0.45
82 RRLMRGHRY 0.45
83 RMLIRGHRY 0.45
84 RDKMRGKRY 0.45
85 RDKIRGRRR 0.45
86 RDFMWGKRY 0.45
87 RDFMRGKRR 0.46
88 RDLIRGRRY 0.46
89 RMKIWGHRR 0.47
90 RRKMWGHRR 0.47
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RMKMWGHRY

2.71

-10.25

-7.54
2 RDKMWGRRY

2.75

-10.16

-7.41
3 RMLMWGHRY

2.77

-9.94

-7.17
4 RDLMWGHRY

2.52

-9.47

-6.95
5 RDKMRGRRY

2.76

-9.51

-6.75
6 RDFMWGRRY

3.14

-9.76

-6.62
7 RMKMWGHRR

2.6

-8.84

-6.24
8 RDFMRGHRY

2.99

-9.11

-6.12
9 RMFMWGHRY

2.54

-8.58

-6.04
10 RDLMRGHRY

3.34

-9.3

-5.96
11 RMFMRGHRY

2.74

-8.68

-5.94
12 RDFMRGRRR

3.34

-8.64

-5.3
13 RDKMWGHRY

2.54

-7.76

-5.22
14 RMKMRGHRY

2.63

-7.78

-5.15
15 RDFMRGRRY

3.11

-8.22

-5.11
16 RMLMRGHRY

3.11

-8.15

-5.04
17 RDLMWGHRR

2.69

-7.67

-4.98
18 RDLMRGRRY

3.25

-8.14

-4.89
19 RDFMWGHRY

2.7

-7.5

-4.8
20 RMKMRGHRR

3.02

-7.77

-4.75
21 RDKMRGHRY

2.74

-7.43

-4.69
22 RMFMWGHRR

2.74

-7.23

-4.49
23 RDFMRGHRR

2.95

-7.07

-4.12
24 RDKMRGRRR

3.07

-6.92

-3.85
25 RDKMWGHRR

2.97

-6.77

-3.8
26 RDFMWGRRR

3.15

-6.74

-3.59
27 RMFMRGHRR

3.1

-6.59

-3.49
28 RDFMWGHRR

2.94

-6.27

-3.33
29 RDKMRGHRR

2.81

-5.25

-2.44
30 RDLMRGHRR

3.04

-5.08

-2.04

 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