Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1ZUY-29.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    

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Intraclash 1.088 ΔGbinding -1.497
TOTAL
 -0.409
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.520
Van der Waals -3.800 Backbone clash 0.006
Electrostatics 0.057 Helix dipole 0.000
Solvation Polar 3.884 Water bridges -0.021
Solvation Hyd -5.077 Disulfide 0.000
VdW clashes 0.011 Electrost. Kon 0.070
Entropy sc 0.240 Part.cov.bonds 0.000
Entropy mc

2.618

 ΔGstability

27.905
       

Predicted ligand sequences for model [MYO3_1ZUY-29.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-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 KRWPRPPRWH 0.0
2 DRWPRPPRWH 0.0
3 DRWPRPKRWH 0.04
4 DYWPRPPRWH 0.04
5 KYWPRPPRWH 0.04
6 KRWPRPPRWR 0.04
7 KRWPRPKRWH 0.04
8 DRWPRPERWH 0.04
9 DRWPRPPRWR 0.04
10 KRWPRPERWH 0.04
11 DRWPRPKRWR 0.08
12 KYWPRPKRWH 0.08
13 DYWPRPPRWR 0.08
14 KRWPRRPRWH 0.08
15 DYWPRPKRWH 0.08
16 DYWPRPERWH 0.08
17 KYWPRPPRWR 0.08
18 KYWPRPERWH 0.08
19 KRWPRPKRWR 0.08
20 DRWPRRPRWH 0.08
21 HRWPRPPRWH 0.09
22 DRWPRPERWR 0.09
23 KRWPRPERWR 0.09
24 KYWPRPKRWR 0.12
25 KRWPRRPRWR 0.12
26 DYWPRPKRWR 0.12
27 DYWPRPERWR 0.12
28 KYWPRPERWR 0.12
29 DRWPRRKRWH 0.12
30 HYWPRPPRWH 0.12
31 DYWPRRPRWH 0.12
32 DRWPRRPRWR 0.12
33 KYWPRRPRWH 0.12
34 KRWPRRKRWH 0.12
35 HRWPRPKRWH 0.13
36 DRWPRRERWH 0.13
37 HRWPRPPRWR 0.13
38 KRWPRRERWH 0.13
39 HRWPRPERWH 0.13
40 DRWMRPPRWH 0.14
41 KRWMRPPRWH 0.14
42 DYWPRRKRWH 0.16
43 KYWPRRERWH 0.16
44 DRWPRRKRWR 0.16
45 DYWPRRERWH 0.16
46 DYWPRRPRWR 0.16
47 KYWPRRKRWH 0.16
48 KYWPRRPRWR 0.16
49 HYWPRPKRWH 0.16
50 KRWPRRKRWR 0.16
51 HRWPRRPRWH 0.17
52 DRLPRPPRWH 0.17
53 HRWPRPKRWR 0.17
54 HYWPRPERWH 0.17
55 KRLPRPPRWH 0.17
56 DRWPRRERWR 0.17
57 KRWPRRERWR 0.17
58 HYWPRPPRWR 0.17
59 HRWPRPERWR 0.17
60 KYWMRPPRWH 0.18
61 KRWWRPPRWH 0.18
62 DRWMRPKRWH 0.18
63 DRWMRPPRWR 0.18
64 KRWMRPKRWH 0.18
65 KRWMRPERWH 0.18
66 DRWMRPERWH 0.18
67 DYWMRPPRWH 0.18
68 KRWMRPPRWR 0.18
69 DRWWRPPRWH 0.18
70 DRLPRPKRWH 0.2
71 KYLPRPPRWH 0.2
72 DYWPRRKRWR 0.2
73 KYWPRRKRWR 0.2
74 DYLPRPPRWH 0.2
75 KRLPRPKRWH 0.2
76 HRWPRRERWH 0.21
77 HRWPRRPRWR 0.21
78 HRWPRRKRWH 0.21
79 DRLPRPPRWR 0.21
80 HYWPRPERWR 0.21
81 KRLPRPPRWR 0.21
82 DRLPRPERWH 0.21
83 HYWPRRPRWH 0.21
84 KYWPRRERWR 0.21
85 DYWPRRERWR 0.21
86 KRLPRPERWH 0.21
87 HYWPRPKRWR 0.21
88 KYWMRPPRWR 0.22
89 DRWMRRPRWH 0.22
90 DRWMRPKRWR 0.22
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KRWPRPERWR

2.33

-10.54

-8.21
2 DRWPRPERWR

2.76

-10.59

-7.83
3 DRWPRPKRWR

2.31

-9.85

-7.54
4 KRWPRPPRWR

2.57

-10.06

-7.49
5 DRWPRPPRWR

2.66

-10.12

-7.46
6 DRWPRPKRWH

2.32

-9.44

-7.12
7 DRWPRRKRWH

2.88

-9.98

-7.1
8 HRWPRPPRWH

2.67

-9.76

-7.09
9 KRWPRPKRWH

2.45

-9.47

-7.02
10 DRWPRPPRWH

2.35

-9.37

-7.02
11 KRWPRPERWH

2.7

-9.67

-6.97
12 KRWPRPPRWH

2.38

-9.27

-6.89
13 DRWPRRPRWH

2.95

-9.59

-6.64
14 KRWPRPKRWR

2.79

-9.38

-6.59
15 DRWPRPERWH

3.07

-9.64

-6.57
16 KRWPRRPRWH

2.6

-9.16

-6.56
17 KRWPRRPRWR

2.96

-9.48

-6.52
18 HYWPRPPRWH

2.2

-8.71

-6.51
19 DYWPRPPRWR

2.6

-8.85

-6.25
20 KYWPRPERWH

2.52

-8.75

-6.23
21 DYWPRPERWR

2.75

-8.9

-6.15
22 KYWPRPPRWH

2.38

-8.42

-6.04
23 DYWPRPPRWH

2.5

-8.33

-5.83
24 KYWPRPERWR

2.57

-8.38

-5.81
25 KYWPRPKRWH

2.66

-8.42

-5.76
26 KYWPRPKRWR

2.6

-8.29

-5.69
27 DYWPRPKRWR

2.49

-8.15

-5.66
28 DYWPRPKRWH

2.64

-7.93

-5.29
29 KYWPRPPRWR

2.46

-7.72

-5.26
30 DYWPRPERWH

2.41

-7.45

-5.04

 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.

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