Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1YP5-17.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
G
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 0.559 ΔGbinding -4.131
TOTAL
 -3.572
Backbone Hb -2.162 Cis_bond 0.000
Sidechain Hb -2.162 Torsional clash 0.139
Van der Waals -4.298 Backbone clash 0.017
Electrostatics 0.240 Helix dipole 0.000
Solvation Polar 5.130 Water bridges -0.135
Solvation Hyd -5.824 Disulfide 0.000
VdW clashes 0.423 Electrost. Kon 0.279
Entropy sc 0.983 Part.cov.bonds 0.000
Entropy mc

3.256

 ΔGstability

9.170
       

Predicted ligand sequences for model [MYO5_1YP5-17.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).
 
  MYO5_1YP5-17.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRFMKGRHR 0.0
2 RRLMKGRHR 0.02
3 RRFMRGRHR 0.03
4 RRLMRGRHR 0.05
5 YRFMKGRHR 0.06
6 RRVMKGRHR 0.06
7 RRFMHGRHR 0.07
8 YRLMKGRHR 0.08
9 RRLMHGRHR 0.08
10 YRFMRGRHR 0.09
11 RRVMRGRHR 0.09
12 RPFMKGRHR 0.1
13 YRLMRGRHR 0.11
14 YRFMHGRHR 0.12
15 RRFMKGRHI 0.12
16 RPLMKGRHR 0.12
17 RRVMHGRHR 0.12
18 YRVMKGRHR 0.12
19 RRLMKGRHI 0.13
20 RIFMKGRHR 0.13
21 RPFMRGRHR 0.14
22 YRLMHGRHR 0.14
23 YRVMRGRHR 0.15
24 RPLMRGRHR 0.15
25 RILMKGRHR 0.15
26 RRFMRGRHI 0.15
27 RRFMKGRHF 0.16
28 RPVMKGRHR 0.16
29 RIFMRGRHR 0.16
30 YPFMKGRHR 0.16
31 RRVMKGRHI 0.17
32 YRFMKGRHI 0.17
33 RRLMRGRHI 0.17
34 RPFMHGRHR 0.17
35 YRVMHGRHR 0.18
36 RRLMKGRHF 0.18
37 RILMRGRHR 0.18
38 RRFMHGRHI 0.18
39 YPLMKGRHR 0.18
40 RPLMHGRHR 0.19
41 RIVMKGRHR 0.19
42 YIFMKGRHR 0.19
43 YRLMKGRHI 0.19
44 RIFMHGRHR 0.19
45 YPFMRGRHR 0.2
46 YILMKGRHR 0.2
47 RRLMHGRHI 0.2
48 RPVMRGRHR 0.2
49 RRFMRGRHF 0.2
50 YPLMRGRHR 0.21
51 RRFIKGRHR 0.21
52 RRLMRGRHF 0.21
53 YRFMRGRHI 0.21
54 RRVMRGRHI 0.21
55 RILMHGRHR 0.21
56 RPFMKGRHI 0.22
57 YRFMKGRHF 0.22
58 RRVMKGRHF 0.22
59 RIVMRGRHR 0.22
60 YIFMRGRHR 0.22
61 YPVMKGRHR 0.22
62 RPVMHGRHR 0.23
63 YRLMRGRHI 0.23
64 YPFMHGRHR 0.23
65 RRFMHGRHF 0.23
66 YRVMKGRHI 0.23
67 RRLIKGRHR 0.23
68 YIVMKGRHR 0.24
69 YRFMHGRHI 0.24
70 YILMRGRHR 0.24
71 YPLMHGRHR 0.24
72 YRLMKGRHF 0.24
73 RRLMHGRHF 0.24
74 RIFMKGRHI 0.24
75 RPLMKGRHI 0.24
76 RRVMHGRHI 0.24
77 RIVMHGRHR 0.25
78 YPVMRGRHR 0.25
79 YRFMRGRHF 0.25
80 RRVMRGRHF 0.25
81 YIFMHGRHR 0.25
82 RPFMRGRHI 0.25
83 RRFIRGRHR 0.25
84 RILMKGRHI 0.26
85 YRLMHGRHI 0.26
86 YRVMRGRHI 0.27
87 RPFMKGRHF 0.27
88 RPLMRGRHI 0.27
89 YILMHGRHR 0.27
90 YRLMRGRHF 0.27
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRFMKGRHF

2.6

-11.9

-9.3
2 RPFMRGRHR

2.58

-10.97

-8.39
3 RPFMKGRHR

2.59

-10.71

-8.12
4 RPLMKGRHR

2.42

-10.46

-8.04
5 RRVMKGRHR

2.57

-10.38

-7.81
6 RRVMRGRHR

2.88

-10.51

-7.63
7 RIFMRGRHR

3.05

-10.39

-7.34
8 RRLMKGRHR

2.68

-9.94

-7.26
9 RRFMKGRHR

1.92

-9.16

-7.24
10 YPFMKGRHR

2.39

-9.39

-7.0
11 RPLMRGRHR

2.4

-9.39

-6.99
12 RPVMKGRHR

2.48

-9.22

-6.74
13 RRFMKGRHI

1.91

-8.63

-6.72
14 RRFMRGRHI

3.05

-9.52

-6.47
15 RRFMHGRHR

2.65

-9.1

-6.45
16 YRLMKGRHR

2.48

-8.81

-6.33
17 RRLMRGRHR

2.67

-8.91

-6.24
18 YRFMKGRHR

2.68

-8.82

-6.14
19 RRLMKGRHI

3.65

-9.76

-6.11
20 RIFMKGRHR

2.71

-8.73

-6.02
21 YRVMRGRHR

2.7

-8.66

-5.96
22 RILMKGRHR

2.59

-8.48

-5.89
23 YRLMRGRHR

3.1

-8.94

-5.84
24 YRFMRGRHR

2.68

-8.47

-5.79
25 YRVMKGRHR

1.8

-7.38

-5.58
26 RRFMRGRHR

2.68

-8.21

-5.53
27 RRVMHGRHR

3.08

-8.47

-5.39
28 YRFMHGRHR

2.87

-7.62

-4.75
29 YRLMHGRHR

2.54

-7.19

-4.65
30 RRLMHGRHR

2.59

-7.11

-4.52

 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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