Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1YP5-12.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 0.186 ΔGbinding -0.908
TOTAL
 -0.722
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.346
Van der Waals -2.026 Backbone clash 0.014
Electrostatics 0.069 Helix dipole 0.000
Solvation Polar 2.788 Water bridges -0.000
Solvation Hyd -2.485 Disulfide 0.000
VdW clashes 0.000 Electrost. Kon 0.073
Entropy sc 0.398 Part.cov.bonds 0.000
Entropy mc

1.204

 ΔGstability

8.738
       

Predicted ligand sequences for model [MYO3_1YP5-12.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_1YP5-12.PDB  

(data)
# Predicted Sequences Value Calculate
1 YRIRRWWR 0.0
2 YRIRPWWR 0.02
3 FRIRRWWR 0.04
4 FRIRPWWR 0.06
5 YRIRDWWR 0.12
6 YRIKRWWR 0.15
7 HRIRRWWR 0.15
8 YRIRRWWK 0.16
9 YRIPRWWR 0.16
10 FRIRDWWR 0.17
11 HRIRPWWR 0.17
12 YRIKPWWR 0.17
13 YRIPPWWR 0.17
14 YRIRPWWK 0.18
15 FRIKRWWR 0.19
16 FRIPRWWR 0.2
17 FRIRRWWK 0.2
18 FRIPPWWR 0.21
19 FRIKPWWR 0.21
20 FRIRPWWK 0.22
21 HRIRDWWR 0.28
22 YRIKDWWR 0.28
23 YRIPDWWR 0.28
24 YRIRDWWK 0.29
25 HRIPRWWR 0.31
26 YRIKRWWK 0.31
27 HRIKRWWR 0.31
28 FRIKDWWR 0.32
29 YRIPRWWK 0.32
30 FRIPDWWR 0.32
31 HRIRRWWK 0.32
32 HRIKPWWR 0.32
33 FRIRDWWK 0.33
34 YRIRRWWH 0.33
35 HRIRPWWK 0.33
36 HRIPPWWR 0.33
37 YRIKPWWK 0.33
38 YRIPPWWK 0.33
39 YRIRPWWH 0.35
40 FRIKRWWK 0.35
41 FRIPRWWK 0.36
42 FRIKPWWK 0.37
43 FRIRRWWH 0.37
44 FRIPPWWK 0.38
45 FRIRPWWH 0.39
46 YKIRRWWR 0.41
47 YKIRPWWR 0.43
48 HRIKDWWR 0.43
49 HRIPDWWR 0.44
50 HRIRDWWK 0.44
51 YRIKDWWK 0.44
52 YRIPDWWK 0.44
53 FKIRRWWR 0.45
54 YRIRDWWH 0.46
55 FKIRPWWR 0.47
56 HRIKRWWK 0.47
57 HRIPRWWK 0.47
58 FRIKDWWK 0.48
59 YRIKRWWH 0.48
60 FRIPDWWK 0.48
61 HRIRRWWH 0.48
62 HRIKPWWK 0.48
63 FRIRDWWH 0.49
64 YRIPRWWH 0.49
65 HRIPPWWK 0.49
66 HRIRPWWH 0.5
67 YRIKPWWH 0.5
68 YRIPPWWH 0.51
69 FRIKRWWH 0.52
70 FRIPRWWH 0.53
71 YKIRDWWR 0.53
72 FRIKPWWH 0.54
73 FRIPPWWH 0.55
74 YKIKRWWR 0.56
75 HKIRRWWR 0.56
76 FKIRDWWR 0.57
77 YKIRRWWK 0.57
78 YKIPRWWR 0.57
79 YKIPPWWR 0.58
80 HKIRPWWR 0.58
81 YKIKPWWR 0.58
82 YKIRPWWK 0.59
83 HRIKDWWK 0.59
84 HRIPDWWK 0.6
85 FKIKRWWR 0.6
86 FKIRRWWK 0.61
87 FKIPRWWR 0.61
88 HRIRDWWH 0.61
89 YRIKDWWH 0.61
90 YRIPDWWH 0.61
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 HRIRRWWR

2.16

-5.81

-3.65
2 HRIKRWWR

2.09

-5.53

-3.44
3 FRIRDWWR

2.23

-5.54

-3.31
4 HRIRDWWR

2.13

-4.97

-2.84
5 YRIRDWWK

1.67

-4.35

-2.68
6 YRIRPWWK

1.8

-4.21

-2.41
7 YRIRRWWR

1.6

-4.0

-2.4
8 YRIPRWWR

2.58

-4.9

-2.32
9 FRIRPWWK

1.95

-4.2

-2.25
10 HRIPRWWR

1.86

-4.11

-2.25
11 FRIKRWWR

2.14

-4.38

-2.24
12 FRIPRWWR

1.8

-4.03

-2.23
13 HRIRPWWR

1.82

-4.05

-2.23
14 YRIRRWWK

1.93

-4.08

-2.15
15 FRIKPWWR

1.92

-4.07

-2.15
16 FRIKDWWR

1.99

-4.07

-2.08
17 FRIPPWWR

1.94

-4.02

-2.08
18 YRIPDWWR

2.04

-4.07

-2.03
19 YRIKRWWK

1.97

-3.97

-2.0
20 YRIRPWWR

2.09

-4.08

-1.99
21 FRIRPWWR

2.03

-4.02

-1.99
22 YRIKRWWR

2.2

-4.14

-1.94
23 YRIPPWWR

1.91

-3.82

-1.91
24 YRIRDWWR

1.93

-3.82

-1.89
25 YRIKPWWR

2.13

-4.0

-1.87
26 FRIRRWWK

2.34

-4.18

-1.84
27 FRIPDWWR

2.43

-4.23

-1.8
28 YRIKDWWR

1.99

-3.52

-1.53
29 FRIRRWWR

2.33

-3.76

-1.43
30 YRIPRWWK

2.51

-3.63

-1.12

 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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