Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1ZUY-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 1.204 ΔGbinding 0.127
TOTAL
 1.331
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.188
Van der Waals -1.322 Backbone clash 0.168
Electrostatics 0.029 Helix dipole 0.000
Solvation Polar 1.716 Water bridges -0.127
Solvation Hyd -1.778 Disulfide 0.000
VdW clashes 0.163 Electrost. Kon 0.032
Entropy sc 0.278 Part.cov.bonds 0.000
Entropy mc

2.223

 ΔGstability

32.464
       

Predicted ligand sequences for model [MYO3_1ZUY-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_1ZUY-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 EEKIGRPRMK 0.0
2 EEKMGRPRMK 0.23
3 EEKIRRPRMK 0.32
4 EEKIGRTRMK 0.35
5 EEKIGRERMK 0.35
6 EEKIHRPRMK 0.39
7 EEKIQRPRMK 0.39
8 YEKIGRPRMK 0.41
9 EEKIGRQRMK 0.49
10 EEKIGRPRMH 0.53
11 EEKIGRMRMK 0.55
12 EEKMRRPRMK 0.55
13 EEKMGRERMK 0.58
14 EEKMGRTRMK 0.58
15 EEKMHRPRMK 0.61
16 EEKMQRPRMK 0.62
17 YEKMGRPRMK 0.64
18 EEKIRRERMK 0.68
19 EEKIRRTRMK 0.68
20 EEKMGRQRMK 0.72
21 YEKIRRPRMK 0.74
22 EEKIHRERMK 0.74
23 EEKIQRERMK 0.74
24 EEKIHRTRMK 0.74
25 EEKIQRTRMK 0.75
26 EEKMGRPRMH 0.75
27 YEKIGRERMK 0.76
28 YEKIGRTRMK 0.77
29 EEKMGRMRMK 0.77
30 YEKIQRPRMK 0.8
31 YEKIHRPRMK 0.8
32 EEKIRRQRMK 0.82
33 EEKIRRPRMH 0.85
34 EEKIRRMRMK 0.87
35 EEKIGRTRMH 0.88
36 EEKIHRQRMK 0.88
37 EEKIGRERMH 0.88
38 EEKIQRQRMK 0.89
39 EEKMRRERMK 0.9
40 EEKMRRTRMK 0.9
41 EEKIHRPRMH 0.91
42 YEKIGRQRMK 0.91
43 EEKIQRPRMH 0.92
44 EEKIHRMRMK 0.93
45 YEKIGRPRMH 0.94
46 EEKIQRMRMK 0.94
47 EEKMHRERMK 0.96
48 YEKMRRPRMK 0.96
49 YEKIGRMRMK 0.96
50 EEKMHRTRMK 0.97
51 EEKMQRTRMK 0.97
52 EEKMQRERMK 0.97
53 YEKMGRERMK 0.99
54 YEKMGRTRMK 0.99
55 EEKIGRQRMH 1.02
56 YEKMHRPRMK 1.02
57 YEKMQRPRMK 1.03
58 EEKMRRQRMK 1.04
59 EEKIGRMRMH 1.08
60 EEKMRRPRMH 1.08
61 YEKIRRERMK 1.09
62 YEKIRRTRMK 1.09
63 EEKMGRERMH 1.1
64 EEKMRRMRMK 1.1
65 EEKMHRQRMK 1.11
66 EEKMGRTRMH 1.11
67 EEKMQRQRMK 1.11
68 YEKMGRQRMK 1.13
69 EEKMHRPRMH 1.14
70 EEKMQRPRMH 1.15
71 YEKIHRTRMK 1.15
72 YEKIHRERMK 1.15
73 YEKIQRTRMK 1.16
74 YEKIQRERMK 1.16
75 EEKMHRMRMK 1.16
76 EEKMQRMRMK 1.17
77 YEKMGRPRMH 1.17
78 YEKMGRMRMK 1.19
79 EEKIRRERMH 1.2
80 EEKIRRTRMH 1.21
81 YEKIRRQRMK 1.23
82 EEKMGRQRMH 1.25
83 YEKIRRPRMH 1.27
84 EEKIHRERMH 1.27
85 EEKIQRERMH 1.27
86 EEKIHRTRMH 1.27
87 EEKIQRTRMH 1.27
88 YEKIRRMRMK 1.29
89 YEKIGRERMH 1.29
90 YEKIHRQRMK 1.29
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 EEKMGRMRMK

1.88

-8.22

-6.34
2 EEKMGRPRMK

2.16

-7.48

-5.32
3 EEKIGRQRMK

2.19

-7.22

-5.03
4 EEKMGRPRMH

1.94

-6.93

-4.99
5 EEKIGRPRMH

1.92

-6.8

-4.88
6 EEKIGRTRMK

2.22

-6.99

-4.77
7 EEKIGRPRMK

2.32

-6.93

-4.61
8 EEKMGRTRMK

2.06

-6.57

-4.51
9 EEKMGRQRMK

1.94

-6.43

-4.49
10 EEKIGRERMK

1.9

-6.11

-4.21
11 EEKMGRERMK

1.97

-6.15

-4.18
12 EEKIHRPRMK

3.21

-7.16

-3.95
13 YEKIGRERMK

2.04

-5.93

-3.89
14 EEKMQRPRMK

3.79

-7.64

-3.85
15 EEKIGRMRMK

2.07

-5.82

-3.75
16 YEKIGRPRMK

2.15

-5.71

-3.56
17 EEKIRRPRMK

2.55

-6.07

-3.52
18 YEKIGRTRMK

2.39

-5.91

-3.52
19 EEKMHRPRMK

3.62

-7.06

-3.44
20 EEKIQRTRMK

3.75

-7.08

-3.33
21 YEKMGRPRMK

2.61

-5.92

-3.31
22 EEKIQRERMK

3.42

-6.67

-3.25
23 EEKIRRERMK

2.67

-5.72

-3.05
24 EEKMRRPRMK

3.76

-6.75

-2.99
25 EEKIHRERMK

2.82

-5.55

-2.73
26 EEKIRRTRMK

3.58

-6.06

-2.48
27 YEKIQRPRMK

3.29

-5.73

-2.44
28 EEKIQRPRMK

3.51

-5.64

-2.13
29 YEKIRRPRMK

3.47

-5.57

-2.1
30 EEKIHRTRMK

3.85

-5.74

-1.89

 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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