Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1YP5-21.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
 G
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    

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Intraclash 0.820 ΔGbinding 1.438
TOTAL
 2.258
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.080
Van der Waals -1.364 Backbone clash 0.118
Electrostatics 0.021 Helix dipole 0.000
Solvation Polar 1.818 Water bridges -0.021
Solvation Hyd -1.846 Disulfide 0.000
VdW clashes 1.479 Electrost. Kon 0.025
Entropy sc 0.257 Part.cov.bonds 0.000
Entropy mc

2.263

 ΔGstability

17.080
       

Predicted ligand sequences for model [MYO3_1YP5-21.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_1YP5-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 EEKMGRPTMT 0.0
2 EEKMGRPTML 0.08
3 EEKMGRPTMM 0.12
4 EEKIGRPTMT 0.12
5 EEKIGRPTML 0.2
6 EEKMGRPKMT 0.21
7 EEKIGRPTMM 0.24
8 EEKMGRPKML 0.29
9 EEKMGRPKMM 0.33
10 EEKIGRPKMT 0.33
11 EEKMGRTTMT 0.35
12 EEKMGRETMT 0.35
13 EEKMQRPTMT 0.38
14 EEKMHRPTMT 0.4
15 EEKIGRPKML 0.41
16 EEKMGRTTML 0.44
17 EEKMGRETML 0.44
18 EEKIGRPKMM 0.45
19 REKMGRPTMT 0.46
20 EEKMQRPTML 0.46
21 EEKIGRTTMT 0.47
22 EEKIGRETMT 0.47
23 EEKMGRTTMM 0.48
24 EEKMHRPTML 0.48
25 EEKMGRETMM 0.48
26 YEKMGRPTMT 0.49
27 EEKIQRPTMT 0.49
28 EEKMQRPTMM 0.5
29 EEKIHRPTMT 0.52
30 EEKMHRPTMM 0.52
31 REKMGRPTML 0.54
32 EEKIGRETML 0.55
33 EEKMGREKMT 0.56
34 EEKIGRTTML 0.56
35 EEKMGRTKMT 0.57
36 YEKMGRPTML 0.57
37 REKIGRPTMT 0.57
38 REKMGRPTMM 0.58
39 EEKIQRPTML 0.58
40 EEKMQRPKMT 0.59
41 EEKIGRTTMM 0.59
42 EEKIGRETMM 0.59
43 YEKIGRPTMT 0.6
44 EEKIHRPTML 0.6
45 EEKMHRPKMT 0.61
46 YEKMGRPTMM 0.61
47 EEKIQRPTMM 0.61
48 EEKIHRPTMM 0.64
49 EEKMGREKML 0.65
50 EEKMGRTKML 0.65
51 REKIGRPTML 0.66
52 EEKMQRPKML 0.67
53 REKMGRPKMT 0.67
54 EEKIGREKMT 0.68
55 EEKIGRTKMT 0.68
56 EEKMHRPKML 0.69
57 EEKMGREKMM 0.69
58 EEKMGRTKMM 0.69
59 YEKIGRPTML 0.69
60 REKIGRPTMM 0.7
61 EEKIQRPKMT 0.7
62 YEKMGRPKMT 0.7
63 EEKMQRPKMM 0.71
64 EEKMHRPKMM 0.73
65 EEKMQRTTMT 0.73
66 EEKIHRPKMT 0.73
67 YEKIGRPTMM 0.73
68 EEKMQRETMT 0.73
69 EEKMHRETMT 0.75
70 REKMGRPKML 0.75
71 EEKMHRTTMT 0.75
72 EEKIGREKML 0.77
73 EEKIGRTKML 0.77
74 REKIGRPKMT 0.78
75 YEKMGRPKML 0.78
76 REKMGRPKMM 0.79
77 EEKIQRPKML 0.79
78 EEKIGREKMM 0.8
79 REKMGRTTMT 0.81
80 EEKMQRTTML 0.81
81 EEKIGRTKMM 0.81
82 REKMGRETMT 0.81
83 YEKIGRPKMT 0.81
84 EEKIHRPKML 0.81
85 EEKMQRETML 0.81
86 YEKMGRPKMM 0.82
87 REKMQRPTMT 0.83
88 EEKIQRPKMM 0.83
89 EEKMHRETML 0.84
90 YEKMGRTTMT 0.84
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 REKMGRPTMT

2.32

-5.65

-3.33
2 EEKIGRPKMT

1.97

-4.89

-2.92
3 EEKMGRPKMM

2.35

-5.27

-2.92
4 EEKMGRPKMT

2.04

-4.93

-2.89
5 EEKMGRPKML

2.01

-4.83

-2.82
6 EEKMGRPTML

2.52

-5.32

-2.8
7 EEKMGRETMT

2.09

-4.84

-2.75
8 EEKMGRETML

2.37

-5.08

-2.71
9 EEKIGRPKMM

1.98

-4.65

-2.67
10 EEKMGRTTMT

2.35

-5.0

-2.65
11 EEKMGRTTML

2.4

-5.02

-2.62
12 EEKIGRPKML

1.89

-4.42

-2.53
13 EEKMGRETMM

2.58

-5.06

-2.48
14 EEKMGRPTMT

2.3

-4.77

-2.47
15 EEKIGRPTMT

2.34

-4.75

-2.41
16 EEKIGRPTML

2.42

-4.35

-1.93
17 EEKIGRTTMT

2.15

-4.04

-1.89
18 EEKIGRETMT

2.2

-3.98

-1.78
19 EEKMHRPTMT

4.06

-5.69

-1.63
20 EEKMGRTTMM

2.59

-4.05

-1.46
21 EEKMQRPTMM

4.23

-5.61

-1.38
22 EEKMQRPTML

4.19

-5.48

-1.29
23 YEKMGRPTMT

2.64

-3.73

-1.09
24 EEKMQRPTMT

4.08

-5.16

-1.08
25 EEKMHRPTMM

4.06

-5.09

-1.03
26 EEKMGRPTMM

2.61

-3.61

-1.0
27 EEKIQRPTMT

3.87

-4.62

-0.75
28 EEKIHRPTMT

3.84

-4.43

-0.59
29 EEKIGRPTMM

2.52

-2.94

-0.42
30 EEKMHRPTML

3.86

-3.64

0.22

 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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