Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_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 0.211 ΔGbinding -2.981
TOTAL
 -2.770
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.137
Van der Waals -4.197 Backbone clash 0.019
Electrostatics 0.246 Helix dipole 0.000
Solvation Polar 4.887 Water bridges -0.145
Solvation Hyd -5.724 Disulfide 0.000
VdW clashes 0.390 Electrost. Kon 0.277
Entropy sc 1.008 Part.cov.bonds 0.000
Entropy mc

3.191

 ΔGstability

9.959
       

Predicted ligand sequences for model [MYO3_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).
 
  MYO3_1YP5-17.PDB  

(data)
# Predicted Sequences Value Calculate
1 RMFMRRRRY 0.0
2 RMWMRRRRY 0.03
3 RMKMRRRRY 0.06
4 RMFMRGRRY 0.06
5 RMFMKRRRY 0.07
6 RMWMRGRRY 0.08
7 RMWMKRRRY 0.1
8 RMKMRGRRY 0.11
9 RMFMWRRRY 0.12
10 RMKMKRRRY 0.13
11 RMFMKGRRY 0.13
12 RMWMWRRRY 0.14
13 RMWMKGRRY 0.15
14 RMKMWRRRY 0.17
15 RMFMWGRRY 0.17
16 RMKMKGRRY 0.19
17 RMWMWGRRY 0.2
18 RMFMRRRRR 0.21
19 RMKMWGRRY 0.23
20 RMWMRRRRR 0.24
21 RPFMRRRRY 0.24
22 RMKMRRRRR 0.27
23 RPWMRRRRY 0.27
24 RMFMRGRRR 0.27
25 RMFMKRRRR 0.29
26 RMWMRGRRR 0.29
27 RPFMRGRRY 0.3
28 RPKMRRRRY 0.3
29 RMWMKRRRR 0.31
30 RPWMRGRRY 0.32
31 RPFMKRRRY 0.32
32 RMKMRGRRR 0.33
33 RMFMWRRRR 0.33
34 RPWMKRRRY 0.34
35 RMKMKRRRR 0.34
36 RMFMKGRRR 0.34
37 RMWMWRRRR 0.35
38 RPKMRGRRY 0.36
39 RPFMWRRRY 0.36
40 RPKMKRRRY 0.37
41 RPFMKGRRY 0.37
42 RMWMKGRRR 0.37
43 RPWMWRRRY 0.38
44 RMKMWRRRR 0.39
45 RMFMWGRRR 0.39
46 RMKMKGRRR 0.4
47 RMFMRRRHY 0.4
48 RPWMKGRRY 0.4
49 RPFMWGRRY 0.41
50 RMWMWGRRR 0.41
51 RPKMWRRRY 0.42
52 RMWMRRRHY 0.43
53 RPKMKGRRY 0.43
54 RPWMWGRRY 0.44
55 RMKMWGRRR 0.44
56 YMFMRRRRY 0.44
57 RMFIRRRRY 0.45
58 YMWMRRRRY 0.46
59 RMKMRRRHY 0.46
60 RMFMRGRHY 0.46
61 RPFMRRRRR 0.46
62 RPKMWGRRY 0.47
63 RMWIRRRRY 0.47
64 RMWMRGRHY 0.48
65 RPWMRRRRR 0.48
66 RMFMKRRHY 0.48
67 YMFMRGRRY 0.49
68 RMKIRRRRY 0.5
69 RMWMKRRHY 0.5
70 RMFIRGRRY 0.5
71 YMKMRRRRY 0.5
72 RPFMRGRRR 0.51
73 YMFMKRRRY 0.51
74 RPKMRRRRR 0.51
75 RMFMWRRHY 0.52
76 RMKMRGRHY 0.52
77 YMWMRGRRY 0.52
78 RMFIKRRRY 0.52
79 RMFMKGRHY 0.53
80 RMKMKRRHY 0.53
81 RPFMKRRRR 0.53
82 RMWIRGRRY 0.53
83 RMWIKRRRY 0.54
84 RPWMRGRRR 0.54
85 YMWMKRRRY 0.54
86 RMWMWRRHY 0.54
87 YMKMRGRRY 0.55
88 YMFMWRRRY 0.55
89 RPWMKRRRR 0.55
90 RMKIRGRRY 0.56
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RMKMWGRRY

1.79

-11.26

-9.47
2 RMWMKGRRY

1.77

-11.13

-9.36
3 RPKMRRRRY

3.36

-11.89

-8.53
4 RMWMKRRRY

3.15

-11.67

-8.52
5 RMFMRRRRY

3.28

-11.74

-8.46
6 RMKMKRRRY

3.32

-11.55

-8.23
7 RPFMRRRRY

2.78

-11.0

-8.22
8 RPWMRRRRY

2.96

-11.06

-8.1
9 RMKMRGRRY

1.7

-9.61

-7.91
10 RMFMWRRRY

3.41

-11.3

-7.89
11 RMKMKGRRY

1.69

-9.45

-7.76
12 RMWMRGRRY

1.65

-9.36

-7.71
13 RMWMRGRRR

1.81

-9.32

-7.51
14 RPWMRGRRY

1.71

-9.19

-7.48
15 RMFMRGRRR

2.07

-9.53

-7.46
16 RMKMWRRRY

3.62

-11.01

-7.39
17 RMFMKGRRY

1.72

-9.05

-7.33
18 RMFMWGRRY

2.12

-9.42

-7.3
19 RPFMRGRRY

1.57

-8.81

-7.24
20 RMFMRGRRY

2.04

-9.1

-7.06
21 RMWMRRRRY

3.62

-10.62

-7.0
22 RMWMWGRRY

1.73

-8.71

-6.98
23 RMFMKRRRY

3.12

-10.04

-6.92
24 RMWMWRRRY

3.52

-9.92

-6.4
25 RMKMRRRRY

3.23

-9.56

-6.33
26 RMKMRRRRR

3.29

-7.69

-4.4
27 RMFMRRRRR

3.59

-7.98

-4.39
28 RMWMKRRRR

3.23

-7.59

-4.36
29 RMWMRRRRR

3.11

-6.96

-3.85
30 RMFMKRRRR

3.36

-6.97

-3.61

 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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