Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1RUW-23.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7
poly-Ala
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 0.298 ΔGbinding -0.842
TOTAL
 -0.544
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.271
Van der Waals -2.328 Backbone clash 0.002
Electrostatics -0.030 Helix dipole 0.000
Solvation Polar 2.705 Water bridges 0.000
Solvation Hyd -3.081 Disulfide 0.000
VdW clashes 0.352 Electrost. Kon -0.023
Entropy sc 0.549 Part.cov.bonds 0.000
Entropy mc

2.018

 ΔGstability

7.191
       

Predicted ligand sequences for model [MYO3_1RUW-23.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-23.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPLYPWH 0.0
2 RRLYPWH 0.12
3 RELYPWH 0.19
4 RDLYPWH 0.23
5 RPLYEWH 0.28
6 RPLYRWH 0.39
7 RPLYKWH 0.39
8 RRLYEWH 0.41
9 RPLFPWH 0.41
10 RPLYPMH 0.45
11 RELYEWH 0.47
12 RPIYPWH 0.5
13 RDLYEWH 0.51
14 RRLYRWH 0.52
15 RRLYKWH 0.52
16 RRLFPWH 0.53
17 RRLYPMH 0.58
18 RELYRWH 0.58
19 RELYKWH 0.58
20 RELFPWH 0.59
21 RRIYPWH 0.62
22 RDLYRWH 0.62
23 RDLYKWH 0.62
24 RDLFPWH 0.63
25 RELYPMH 0.64
26 RDLYPMH 0.68
27 RPLFEWH 0.69
28 REIYPWH 0.69
29 RDIYPWH 0.72
30 RPLYEMH 0.74
31 RPIYEWH 0.78
32 RPLFKWH 0.8
33 RPLFRWH 0.8
34 RRLFEWH 0.81
35 RPLYRMH 0.85
36 RPLYKMH 0.85
37 RRLYEMH 0.86
38 RPLFPMH 0.86
39 RELFEWH 0.88
40 RPIYRWH 0.89
41 RPIYKWH 0.89
42 RPIFPWH 0.91
43 RRIYEWH 0.91
44 RDLFEWH 0.92
45 RRLFKWH 0.92
46 RELYEMH 0.92
47 RRLFRWH 0.92
48 RPIYPMH 0.95
49 RDLYEMH 0.96
50 RRLYRMH 0.97
51 REIYEWH 0.97
52 RRLYKMH 0.97
53 RRLFPMH 0.98
54 RELFKWH 0.99
55 RELFRWH 0.99
56 RDIYEWH 1.01
57 RRIYRWH 1.02
58 RRIYKWH 1.02
59 RDLFKWH 1.02
60 RELYKMH 1.03
61 RELYRMH 1.03
62 RDLFRWH 1.03
63 RRIFPWH 1.03
64 RELFPMH 1.05
65 RDLYRMH 1.07
66 RDLYKMH 1.07
67 RRIYPMH 1.08
68 REIYRWH 1.08
69 REIYKWH 1.08
70 RDLFPMH 1.09
71 REIFPWH 1.09
72 RDIYKWH 1.12
73 RDIYRWH 1.12
74 RDIFPWH 1.13
75 REIYPMH 1.14
76 RPLFEMH 1.14
77 RDIYPMH 1.18
78 RPIFEWH 1.19
79 RPIYEMH 1.23
80 RPLFRMH 1.25
81 RPLFKMH 1.25
82 RRLFEMH 1.27
83 RPIFKWH 1.3
84 RPIFRWH 1.3
85 RRIFEWH 1.31
86 RELFEMH 1.33
87 RPIYKMH 1.34
88 RPIYRMH 1.35
89 RRIYEMH 1.36
90 RPIFPMH 1.36
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRLFPWH

1.64

-6.87

-5.23
2 RRLYPWH

1.9

-6.67

-4.77
3 RDLYRWH

1.77

-6.46

-4.69
4 RDLFPWH

1.46

-6.13

-4.67
5 RELFPWH

1.3

-5.81

-4.51
6 RELYEWH

1.8

-6.28

-4.48
7 RELYPMH

2.09

-6.45

-4.36
8 RELYRWH

1.59

-5.79

-4.2
9 RPLFPWH

1.57

-5.7

-4.13
10 RRLYKWH

1.89

-6.0

-4.11
11 RPLYPWH

2.44

-6.54

-4.1
12 RDLYKWH

2.14

-6.18

-4.04
13 RPLYRWH

1.65

-5.54

-3.89
14 RDLYPMH

1.34

-5.21

-3.87
15 RELYPWH

1.65

-5.46

-3.81
16 RPLFEWH

1.2

-4.92

-3.72
17 RPLYPMH

1.51

-5.21

-3.7
18 RPLYKWH

1.63

-5.28

-3.65
19 RELYKWH

1.28

-4.9

-3.62
20 RRLYRWH

1.82

-5.42

-3.6
21 RRLYPMH

1.91

-5.45

-3.54
22 RDLYPWH

1.67

-5.16

-3.49
23 RPLYEMH

1.86

-5.3

-3.44
24 RDLYEWH

1.8

-5.08

-3.28
25 RRLYEWH

1.61

-4.85

-3.24
26 RPLYEWH

1.71

-4.76

-3.05
27 RRIYPWH

2.59

-5.19

-2.6
28 RDIYPWH

2.1

-4.6

-2.5
29 REIYPWH

2.62

-5.1

-2.48
30 RPIYPWH

2.18

-4.37

-2.19

 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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