Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1YP5-13.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 0.104 ΔGbinding -0.662
TOTAL
 -0.558
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.436
Van der Waals -3.059 Backbone clash 2.306
Electrostatics 0.141 Helix dipole 0.000
Solvation Polar 3.538 Water bridges -0.040
Solvation Hyd -3.892 Disulfide 0.000
VdW clashes 0.116 Electrost. Kon 0.167
Entropy sc 0.469 Part.cov.bonds 0.000
Entropy mc

2.737

 ΔGstability

9.660
       

Predicted ligand sequences for model [MYO3_1YP5-13.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_1YP5-13.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPPFPYWR 0.0
2 RPRFPYWR 0.02
3 RPPFFYWR 0.05
4 RRPFPYWR 0.05
5 RRRFPYWR 0.07
6 RPRFFYWR 0.07
7 RPKFPYWR 0.09
8 RRPFFYWR 0.09
9 RPPFHYWR 0.1
10 RPRFHYWR 0.12
11 RRRFFYWR 0.12
12 RRKFPYWR 0.14
13 RRPFHYWR 0.14
14 RPKFFYWR 0.14
15 RRRFHYWR 0.16
16 RRKFFYWR 0.19
17 RPKFHYWR 0.19
18 RKPFPYWR 0.22
19 RPPFPYFR 0.23
20 RRKFHYWR 0.23
21 RKRFPYWR 0.24
22 RPRFPYFR 0.26
23 RKPFFYWR 0.27
24 MPPFPYWR 0.28
25 RPPFFYFR 0.28
26 RRPFPYFR 0.28
27 RKRFFYWR 0.29
28 RPRFFYFR 0.3
29 MPRFPYWR 0.3
30 RRRFPYFR 0.3
31 RKKFPYWR 0.31
32 RKPFHYWR 0.32
33 RRPFFYFR 0.33
34 RPKFPYFR 0.33
35 RPPFHYFR 0.33
36 MPPFFYWR 0.33
37 MRPFPYWR 0.33
38 RKRFHYWR 0.34
39 MPRFFYWR 0.35
40 RPRFHYFR 0.35
41 MRRFPYWR 0.35
42 RRRFFYFR 0.35
43 RKKFFYWR 0.36
44 MPKFPYWR 0.37
45 RPKFFYFR 0.37
46 RRKFPYFR 0.37
47 MPPFHYWR 0.38
48 RRPFHYFR 0.38
49 MRPFFYWR 0.38
50 MPRFHYWR 0.4
51 RRRFHYFR 0.4
52 MRRFFYWR 0.4
53 RKKFHYWR 0.41
54 MRKFPYWR 0.42
55 RPKFHYFR 0.42
56 MPKFFYWR 0.42
57 RRKFFYFR 0.42
58 MRPFHYWR 0.42
59 MRRFHYWR 0.44
60 RKPFPYFR 0.45
61 MPKFHYWR 0.47
62 RPPFPYWH 0.47
63 MRKFFYWR 0.47
64 RRKFHYFR 0.47
65 RKRFPYFR 0.47
66 RPRFPYWH 0.49
67 YPPFPYWR 0.5
68 MKPFPYWR 0.5
69 RKPFFYFR 0.5
70 RRPFPYWH 0.51
71 MRKFHYWR 0.51
72 MPPFPYFR 0.52
73 MKRFPYWR 0.52
74 YPRFPYWR 0.52
75 RKRFFYFR 0.52
76 RPPFFYWH 0.52
77 RRRFPYWH 0.54
78 MPRFPYFR 0.54
79 YRPFPYWR 0.54
80 RPRFFYWH 0.54
81 RKKFPYFR 0.55
82 RKPFHYFR 0.55
83 MKPFFYWR 0.55
84 YPPFFYWR 0.55
85 MPPFFYFR 0.56
86 MRPFPYFR 0.56
87 RPPFHYWH 0.56
88 RPKFPYWH 0.56
89 RRPFFYWH 0.56
90 YRRFPYWR 0.56
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPPFPYWR

1.39

-9.37

-7.98
2 RRKFHYWR

1.5

-9.44

-7.94
3 RPKFPYWR

1.4

-9.32

-7.92
4 RPRFPYWR

1.17

-9.04

-7.87
5 RPRFHYWR

1.14

-8.84

-7.7
6 RPPFPYFR

1.27

-8.89

-7.62
7 RPPFHYWR

1.01

-8.58

-7.57
8 RKRFPYWR

1.62

-9.08

-7.46
9 RPKFFYWR

1.37

-8.82

-7.45
10 RPRFFYWR

1.39

-8.82

-7.43
11 RRRFHYWR

1.39

-8.8

-7.41
12 RPKFHYWR

1.79

-9.18

-7.39
13 RPRFPYFR

1.52

-8.87

-7.35
14 RPPFFYWR

1.44

-8.76

-7.32
15 MPPFPYWR

1.33

-8.53

-7.2
16 RPRFFYFR

1.33

-8.47

-7.14
17 RKPFPYWR

1.41

-8.52

-7.11
18 RRPFPYFR

1.64

-8.73

-7.09
19 RRRFPYFR

1.49

-8.44

-6.95
20 RRPFHYWR

1.51

-8.39

-6.88
21 MPRFPYWR

1.79

-8.6

-6.81
22 RRRFFYWR

1.78

-8.47

-6.69
23 RPPFFYFR

1.92

-8.59

-6.67
24 RRPFPYWR

1.54

-8.07

-6.53
25 RKPFFYWR

1.79

-8.29

-6.5
26 RRKFFYWR

2.04

-8.34

-6.3
27 RRKFPYWR

2.03

-8.18

-6.15
28 RRPFFYWR

1.72

-7.79

-6.07
29 RKRFFYWR

1.72

-7.77

-6.05
30 RRRFPYWR

1.46

-7.48

-6.02

 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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