Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1ZUY-26.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    

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Intraclash 3.235 ΔGbinding -0.414
TOTAL
 2.821
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.744
Van der Waals -3.796 Backbone clash 0.008
Electrostatics 0.224 Helix dipole 0.000
Solvation Polar 4.800 Water bridges 0.000
Solvation Hyd -4.726 Disulfide 0.000
VdW clashes 0.026 Electrost. Kon 0.292
Entropy sc 0.391 Part.cov.bonds 0.000
Entropy mc

2.907

 ΔGstability

27.531
       

Predicted ligand sequences for model [MYO3_1ZUY-26.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-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 DDRRRRPPR 0.0
2 DRRRRRPPR 0.01
3 DDRRKRPPR 0.06
4 DDRKRRPPR 0.07
5 DRRRKRPPR 0.07
6 DRRKRRPPR 0.08
7 DDRKKRPPR 0.12
8 DRRKKRPPR 0.13
9 DDRRHRPPR 0.14
10 DRRRHRPPR 0.15
11 DDRKHRPPR 0.2
12 DRRKHRPPR 0.21
13 DDRRRRPER 0.21
14 DDRRRRPRR 0.22
15 DRRRRRPER 0.22
16 DERRRRPPR 0.23
17 DRRRRRPRR 0.23
18 DDRRRRFPR 0.24
19 DRRRRRFPR 0.25
20 DDRRKRPRR 0.27
21 DDRRKRPER 0.27
22 DRRRKRPER 0.28
23 DRRRKRPRR 0.28
24 DDRKRRPER 0.28
25 DDRKRRPRR 0.29
26 DRRKRRPER 0.29
27 DERRKRPPR 0.29
28 DERKRRPPR 0.3
29 DDRRKRFPR 0.3
30 DRRKRRPRR 0.3
31 DRRRKRFPR 0.31
32 DDRKRRFPR 0.31
33 DRRKRRFPR 0.32
34 DDRKKRPRR 0.34
35 DDRKKRPER 0.34
36 DDRFRRPPR 0.34
37 DDRRHRPRR 0.35
38 DRRKKRPRR 0.35
39 DRRKKRPER 0.35
40 DDRRHRPER 0.35
41 DRRFRRPPR 0.35
42 DERKKRPPR 0.35
43 DRRRHRPRR 0.36
44 DERRHRPPR 0.36
45 DRRRHRPER 0.36
46 DDRKKRFPR 0.36
47 DDRRHRFPR 0.38
48 DRRKKRFPR 0.38
49 DRRRHRFPR 0.39
50 DDRFKRPPR 0.39
51 SDRRRRPPR 0.39
52 SRRRRRPPR 0.4
53 DRRFKRPPR 0.4
54 DDRKHRPRR 0.42
55 DDRKHRPER 0.42
56 DERKHRPPR 0.43
57 DRRKHRPER 0.43
58 DRRKHRPRR 0.43
59 DERRRRPER 0.44
60 SDRRKRPPR 0.44
61 DDRKHRFPR 0.44
62 DDRRRRFER 0.45
63 SRRRKRPPR 0.45
64 DERRRRPRR 0.45
65 DRRKHRFPR 0.45
66 DRRRRRFER 0.46
67 DDRRRRFRR 0.46
68 SDRKRRPPR 0.46
69 DDRFHRPPR 0.47
70 DERRRRFPR 0.47
71 SRRKRRPPR 0.47
72 DRRRRRFRR 0.47
73 DRRFHRPPR 0.48
74 DERRKRPRR 0.5
75 DERRKRPER 0.5
76 DDRRKRFER 0.51
77 SDRKKRPPR 0.51
78 DERKRRPER 0.51
79 SDRRHRPPR 0.52
80 DERKRRPRR 0.52
81 DDRRKRFRR 0.52
82 DRRRKRFER 0.52
83 SRRKKRPPR 0.52
84 DDRKRRFER 0.52
85 DERRKRFPR 0.53
86 DDRKRRFRR 0.53
87 DRRKRRFER 0.53
88 DRRRKRFRR 0.53
89 SRRRHRPPR 0.53
90 DERKRRFPR 0.54
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DDRKRRPPR

2.8

-10.39

-7.59
2 DRRRKRPPR

2.57

-10.07

-7.5
3 DRRKRRPPR

2.26

-9.59

-7.33
4 DRRRHRPPR

2.69

-9.87

-7.18
5 DRRKHRPPR

2.48

-9.6

-7.12
6 DRRRRRPPR

2.74

-9.84

-7.1
7 DRRRKRPER

2.43

-9.44

-7.01
8 DRRRRRFPR

2.51

-9.37

-6.86
9 DDRRKRPPR

2.44

-9.21

-6.77
10 DRRRKRPRR

2.32

-9.07

-6.75
11 DRRKKRPPR

2.58

-9.23

-6.65
12 DERRRRPPR

3.12

-9.55

-6.43
13 DDRKKRPPR

2.89

-9.31

-6.42
14 DRRKRRPER

2.59

-8.69

-6.1
15 DDRRKRFPR

2.44

-8.42

-5.98
16 DRRKRRPRR

2.45

-8.16

-5.71
17 DDRRHRPPR

2.18

-7.89

-5.71
18 DDRRKRPRR

3.93

-9.61

-5.68
19 DERRKRPPR

2.29

-7.72

-5.43
20 DDRRRRPPR

2.54

-7.85

-5.31
21 DDRKHRPPR

2.44

-7.6

-5.16
22 DDRRKRPER

2.17

-7.24

-5.07
23 DRRRRRPER

2.33

-7.37

-5.04
24 DRRRRRPRR

2.4

-7.35

-4.95
25 DDRRRRPRR

2.38

-7.28

-4.9
26 DDRKRRPER

2.21

-7.1

-4.89
27 DERKRRPPR

2.42

-7.27

-4.85
28 DDRRRRFPR

2.33

-7.02

-4.69
29 DDRKRRPRR

2.2

-6.73

-4.53
30 DDRRRRPER

2.46

-6.97

-4.51

 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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