Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1R6S-13.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8
poly-Ala
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 0.887 ΔGbinding -1.137
TOTAL
 -0.250
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.592
Van der Waals -3.401 Backbone clash 2.148
Electrostatics 0.115 Helix dipole 0.000
Solvation Polar 3.783 Water bridges -0.018
Solvation Hyd -4.325 Disulfide 0.000
VdW clashes 0.396 Electrost. Kon 0.145
Entropy sc 0.636 Part.cov.bonds 0.000
Entropy mc

2.215

 ΔGstability

8.566
       

Predicted ligand sequences for model [MYO3_1R6S-13.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_1R6S-13.PDB  

(data)
# Predicted Sequences Value Calculate
1 WWPRFPWH 0.0
2 WWRRFPWH 0.07
3 WWKRFPWH 0.11
4 WWPFFPWH 0.2
5 WWPRFFWH 0.21
6 WWPRPPWH 0.24
7 WKPRFPWH 0.24
8 WWRFFPWH 0.27
9 WWRRFFWH 0.28
10 RWPRFPWH 0.29
11 WKRRFPWH 0.3
12 WWKFFPWH 0.31
13 WWRRPPWH 0.31
14 WWKRFFWH 0.32
15 WWPRFIWH 0.34
16 WWPMFPWH 0.34
17 WKKRFPWH 0.35
18 RWRRFPWH 0.35
19 WWKRPPWH 0.36
20 WWPRHPWH 0.38
21 WWRRFIWH 0.4
22 RWKRFPWH 0.4
23 WWRMFPWH 0.41
24 WWPFFFWH 0.41
25 WWPFPPWH 0.44
26 WKPFFPWH 0.44
27 WWKRFIWH 0.45
28 WKPRFFWH 0.45
29 WWRRHPWH 0.45
30 WWPRPFWH 0.45
31 WWKMFPWH 0.46
32 WWRFFFWH 0.47
33 WKPRPPWH 0.48
34 RWPFFPWH 0.49
35 WWKRHPWH 0.49
36 RWPRFFWH 0.5
37 WWRFPPWH 0.51
38 WKRFFPWH 0.51
39 WWRRPFWH 0.52
40 WKRRFFWH 0.52
41 WWKFFFWH 0.52
42 RKPRFPWH 0.53
43 RWPRPPWH 0.53
44 WWPFFIWH 0.54
45 RWRFFPWH 0.55
46 WKKFFPWH 0.55
47 WKRRPPWH 0.55
48 WWPMFFWH 0.55
49 WWKFPPWH 0.56
50 RWRRFFWH 0.56
51 WKKRFFWH 0.56
52 WWKRPFWH 0.57
53 WKPMFPWH 0.58
54 WKPRFIWH 0.58
55 WWPFHPWH 0.58
56 WWPRPIWH 0.58
57 WWPMPPWH 0.58
58 RWRRPPWH 0.59
59 RKRRFPWH 0.59
60 WWPRHFWH 0.59
61 WWRFFIWH 0.6
62 WKKRPPWH 0.6
63 RWKFFPWH 0.6
64 RWKRFFWH 0.61
65 WWRMFFWH 0.62
66 WKPRHPWH 0.62
67 RWPMFPWH 0.63
68 RWPRFIWH 0.63
69 RKKRFPWH 0.64
70 WKRRFIWH 0.64
71 RWKRPPWH 0.64
72 WKPFFFWH 0.65
73 WWRFHPWH 0.65
74 WWRRPIWH 0.65
75 WWRMPPWH 0.65
76 WWPFPFWH 0.65
77 WKRMFPWH 0.65
78 WWKFFIWH 0.65
79 WWRRHFWH 0.66
80 RWPRHPWH 0.67
81 WWKMFFWH 0.67
82 WKPFPPWH 0.68
83 WWPMFIWH 0.68
84 WKPRPFWH 0.69
85 RWRRFIWH 0.69
86 WKKRFIWH 0.69
87 WWKFHPWH 0.69
88 WKRRHPWH 0.69
89 WWKRHFWH 0.7
90 WWKRPIWH 0.7
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RWPRFPWH

1.7

-8.2

-6.5
2 WWKRPPWH

2.89

-8.61

-5.72
3 WWRRPPWH

3.15

-8.63

-5.48
4 WKPRFPWH

2.88

-8.19

-5.31
5 WWRRHPWH

3.25

-8.41

-5.16
6 WWPRPPWH

3.13

-8.13

-5.0
7 WWRRFPWH

3.13

-8.08

-4.95
8 WWKRFPWH

3.29

-8.23

-4.94
9 WKRRFPWH

3.1

-7.98

-4.88
10 WKKRFPWH

3.19

-7.98

-4.79
11 WWRMFPWH

2.46

-7.04

-4.58
12 WWPRHPWH

3.86

-8.38

-4.52
13 WWPRFPWH

3.44

-7.85

-4.41
14 WWPMFPWH

2.77

-7.15

-4.38
15 WWPFPPWH

3.6

-7.7

-4.1
16 WKPRFFWH

3.04

-7.06

-4.02
17 RWKRFPWH

3.77

-7.6

-3.83
18 WKPFFPWH

1.95

-5.57

-3.62
19 WWPRPFWH

3.66

-7.13

-3.47
20 WWRRFIWH

3.55

-7.01

-3.46
21 WWKRFIWH

3.7

-7.04

-3.34
22 WWPRFIWH

3.21

-6.5

-3.29
23 WWKRFFWH

3.63

-6.89

-3.26
24 WWKFFPWH

3.37

-6.54

-3.17
25 WWRFFPWH

3.21

-6.32

-3.11
26 WWRRFFWH

3.12

-6.13

-3.01
27 WWPFFPWH

2.39

-5.32

-2.93
28 RWRRFPWH

3.43

-6.31

-2.88
29 WWPRFFWH

3.43

-6.02

-2.59
30 WWPFFFWH

2.97

-5.17

-2.2

 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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