Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1RUW-11.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 0.367 ΔGbinding 3.619
TOTAL
 3.986
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.738
Van der Waals -3.376 Backbone clash 0.022
Electrostatics 0.127 Helix dipole 0.000
Solvation Polar 3.728 Water bridges 0.000
Solvation Hyd -4.379 Disulfide 0.000
VdW clashes 4.425 Electrost. Kon 0.152
Entropy sc 0.359 Part.cov.bonds 0.000
Entropy mc

3.120

 ΔGstability

11.269
       

Predicted ligand sequences for model [MYO3_1RUW-11.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-11.PDB  

(data)
# Predicted Sequences Value Calculate
1 RMWRPPR 0.0
2 RMPRPPR 0.01
3 RMWRPGR 0.2
4 RMRRPPR 0.22
5 RMPRPGR 0.22
6 YMWRPPR 0.24
7 RMWRPSR 0.25
8 YMPRPPR 0.26
9 RMPRPSR 0.27
10 RKWRPPR 0.35
11 RMWRFPR 0.36
12 RMPRFPR 0.37
13 RRWRPPR 0.37
14 RKPRPPR 0.37
15 RRPRPPR 0.38
16 RMRRPGR 0.42
17 YMWRPGR 0.45
18 YMPRPGR 0.46
19 YMRRPPR 0.46
20 RMRRPSR 0.47
21 YMWRPSR 0.5
22 YMPRPSR 0.51
23 RMWRFGR 0.56
24 RKWRPGR 0.56
25 RRWRPGR 0.57
26 RKPRPGR 0.57
27 RKRRPPR 0.57
28 RMPRFGR 0.58
29 RMRRFPR 0.58
30 RRRRPPR 0.59
31 RRPRPGR 0.59
32 RKWRPSR 0.6
33 YKWRPPR 0.6
34 YMWRFPR 0.6
35 YKPRPPR 0.61
36 RMWRFSR 0.61
37 YRWRPPR 0.61
38 RMPRFSR 0.62
39 RKPRPSR 0.62
40 RRWRPSR 0.62
41 YMPRFPR 0.62
42 YRPRPPR 0.63
43 RRPRPSR 0.63
44 YMRRPGR 0.67
45 RKWRFPR 0.71
46 YMRRPSR 0.72
47 RKPRFPR 0.72
48 RRWRFPR 0.73
49 RRPRFPR 0.74
50 RMRRFGR 0.78
51 RKRRPGR 0.78
52 RRRRPGR 0.79
53 YKWRPGR 0.8
54 YMWRFGR 0.81
55 YKPRPGR 0.82
56 YMRRFPR 0.82
57 YMPRFGR 0.82
58 YKRRPPR 0.82
59 RKRRPSR 0.82
60 YRWRPGR 0.82
61 YRRRPPR 0.83
62 YRPRPGR 0.83
63 RMRRFSR 0.83
64 RRRRPSR 0.84
65 YMWRFSR 0.85
66 YKWRPSR 0.85
67 YKPRPSR 0.86
68 YRWRPSR 0.86
69 YMPRFSR 0.87
70 YRPRPSR 0.88
71 RKWRFGR 0.92
72 RKPRFGR 0.93
73 RKRRFPR 0.93
74 RRWRFGR 0.93
75 RRRRFPR 0.94
76 RRPRFGR 0.94
77 RKWRFSR 0.96
78 YKWRFPR 0.96
79 YKPRFPR 0.97
80 YRWRFPR 0.97
81 YRPRFPR 0.98
82 RRWRFSR 0.98
83 RKPRFSR 0.98
84 RRPRFSR 0.99
85 YKRRPGR 1.02
86 YMRRFGR 1.03
87 YRRRPGR 1.04
88 YMRRFSR 1.07
89 YKRRPSR 1.07
90 YRRRPSR 1.08
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RKWRPPR

1.34

-5.42

-4.08
2 RMPRPPR

1.44

-5.49

-4.05
3 RRRRPPR

2.54

-6.36

-3.82
4 RMRRPPR

1.32

-5.14

-3.82
5 RMWRPPR

1.47

-5.28

-3.81
6 RMPRPGR

1.21

-4.75

-3.54
7 RRWRPPR

1.41

-4.92

-3.51
8 RKRRPPR

2.91

-6.33

-3.42
9 RMWRPGR

1.35

-4.7

-3.35
10 RKWRPGR

1.17

-4.5

-3.33
11 RMRRPGR

1.17

-4.28

-3.11
12 YMPRPPR

1.52

-4.6

-3.08
13 RMPRPSR

1.62

-4.48

-2.86
14 RKPRPPR

1.02

-3.86

-2.84
15 YMWRPSR

2.73

-5.51

-2.78
16 RRPRPPR

2.62

-5.33

-2.71
17 RMRRPSR

1.37

-3.97

-2.6
18 RKPRPGR

1.74

-4.25

-2.51
19 RMWRPSR

1.44

-3.58

-2.14
20 RRWRPGR

1.39

-3.4

-2.01
21 YMRRPPR

1.45

-3.42

-1.97
22 RMPRFPR

1.43

-3.2

-1.77
23 RMWRFPR

1.74

-3.32

-1.58
24 YMPRPGR

0.89

-2.46

-1.57
25 YMWRPPR

1.34

-2.89

-1.55
26 YMWRPGR

1.76

-3.12

-1.36
27 YMPRPSR

1.16

-2.03

-0.87
28 RMRRFPR

1.54

-2.3

-0.76
29 RMWRFGR

1.5

-2.18

-0.68
30 RMPRFGR

1.43

-1.93

-0.5

 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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