Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1RUW-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 1.668 ΔGbinding -0.042
TOTAL
 1.626
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.211
Van der Waals -1.430 Backbone clash 0.237
Electrostatics 0.035 Helix dipole 0.000
Solvation Polar 1.741 Water bridges -0.103
Solvation Hyd -1.967 Disulfide 0.000
VdW clashes 0.138 Electrost. Kon 0.030
Entropy sc 0.282 Part.cov.bonds 0.000
Entropy mc

2.297

 ΔGstability

14.616
       

Predicted ligand sequences for model [MYO3_1RUW-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_1RUW-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 EEKMGRPRMR 0.0
2 EEKMGRERMR 0.33
3 EEKMGRTRMR 0.36
4 EEKMQRPRMR 0.39
5 YEKMGRPRMR 0.39
6 EEKMRRPRMR 0.46
7 EEKMGRPRRR 0.48
8 EEKMHRPRMR 0.48
9 EEKMGRQRMR 0.49
10 EEKLGRPRMR 0.53
11 EEKMGRMRMR 0.55
12 EEKMQRERMR 0.72
13 YEKMGRERMR 0.72
14 EEKMQRTRMR 0.74
15 YEKMGRTRMR 0.74
16 YEKMQRPRMR 0.77
17 EEKMRRERMR 0.79
18 EEKMHRERMR 0.81
19 EEKMGRERRR 0.81
20 EEKMRRTRMR 0.81
21 EEKMGRTRRR 0.83
22 EEKMHRTRMR 0.84
23 YEKMRRPRMR 0.84
24 EEKLGRERMR 0.86
25 YEKMHRPRMR 0.87
26 YEKMGRPRRR 0.87
27 EEKMQRPRRR 0.87
28 YEKMGRQRMR 0.88
29 EEKMQRQRMR 0.88
30 EEKLGRTRMR 0.89
31 EEKLQRPRMR 0.92
32 YEKLGRPRMR 0.92
33 EEKMRRPRRR 0.93
34 EEKMQRMRMR 0.94
35 YEKMGRMRMR 0.94
36 EEKMRRQRMR 0.95
37 EEKMHRPRRR 0.96
38 EEKMGRQRRR 0.97
39 EEKMHRQRMR 0.98
40 EEKLRRPRMR 0.99
41 EEKMRRMRMR 1.0
42 EEKLGRPRRR 1.01
43 EEKLHRPRMR 1.02
44 EEKMGRMRRR 1.03
45 EEKMHRMRMR 1.03
46 EEKLGRQRMR 1.03
47 EEKLGRMRMR 1.08
48 YEKMQRERMR 1.1
49 YEKMQRTRMR 1.13
50 YEKMRRERMR 1.17
51 YEKMGRERRR 1.2
52 YEKMRRTRMR 1.2
53 EEKMQRERRR 1.2
54 YEKMHRERMR 1.2
55 EEKMQRTRRR 1.22
56 YEKMGRTRRR 1.22
57 YEKMHRTRMR 1.23
58 YEKMQRPRRR 1.25
59 EEKLQRERMR 1.25
60 YEKLGRERMR 1.25
61 EEKMRRERRR 1.26
62 YEKMQRQRMR 1.27
63 YEKLGRTRMR 1.28
64 EEKLQRTRMR 1.28
65 EEKMHRERRR 1.29
66 EEKMRRTRRR 1.29
67 YEKLQRPRMR 1.31
68 EEKMHRTRRR 1.32
69 EEKLRRERMR 1.32
70 YEKMQRMRMR 1.32
71 YEKMRRPRRR 1.32
72 EEKLRRTRMR 1.34
73 YEKMRRQRMR 1.34
74 EEKLGRERRR 1.34
75 EEKLHRERMR 1.35
76 YEKMHRPRRR 1.35
77 YEKMGRQRRR 1.36
78 EEKMQRQRRR 1.36
79 EEKLHRTRMR 1.37
80 YEKMHRQRMR 1.37
81 EEKLGRTRRR 1.37
82 YEKLRRPRMR 1.38
83 YEKMRRMRMR 1.39
84 YEKLGRPRRR 1.4
85 EEKLQRPRRR 1.4
86 YEKLHRPRMR 1.41
87 EEKLQRQRMR 1.42
88 YEKMGRMRRR 1.42
89 YEKLGRQRMR 1.42
90 EEKMQRMRRR 1.42
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 EEKMGRQRMR

2.37

-7.12

-4.75
2 EEKMGRPRMR

2.37

-7.08

-4.71
3 EEKMGRMRMR

2.28

-6.98

-4.7
4 EEKMHRERMR

4.08

-8.67

-4.59
5 EEKLGRPRMR

2.41

-6.97

-4.56
6 EEKMRRTRMR

4.09

-8.52

-4.43
7 YEKMGRPRMR

2.48

-6.87

-4.39
8 YEKMGRTRMR

2.36

-6.68

-4.32
9 EEKLGRTRMR

2.6

-6.83

-4.23
10 EEKMGRERMR

2.53

-6.76

-4.23
11 EEKLGRERMR

2.64

-6.82

-4.18
12 EEKMGRTRRR

2.72

-6.87

-4.15
13 YEKMGRERMR

2.34

-6.43

-4.09
14 YEKMGRQRMR

2.49

-6.51

-4.02
15 EEKMQRERMR

3.59

-7.4

-3.81
16 EEKMGRERRR

2.56

-6.23

-3.67
17 EEKMGRTRMR

3.04

-6.66

-3.62
18 EEKMHRPRMR

3.8

-7.32

-3.52
19 EEKMRRERMR

3.82

-7.0

-3.18
20 EEKMHRTRMR

3.91

-7.01

-3.1
21 YEKMHRPRMR

3.87

-6.94

-3.07
22 EEKMQRQRMR

3.94

-6.92

-2.98
23 YEKMGRPRRR

2.55

-5.5

-2.95
24 EEKMQRTRMR

4.38

-7.3

-2.92
25 YEKMRRPRMR

4.12

-6.81

-2.69
26 EEKMRRPRMR

4.43

-7.1

-2.67
27 YEKMQRPRMR

4.02

-6.58

-2.56
28 EEKMGRPRRR

3.14

-5.61

-2.47
29 EEKMQRPRMR

3.95

-6.25

-2.3
30 EEKMQRPRRR

4.47

-5.81

-1.34

 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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