Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1R6S-19.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
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 1.378 ΔGbinding 4.298
TOTAL
 5.676
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.208
Van der Waals -4.604 Backbone clash 0.010
Electrostatics 0.190 Helix dipole 0.000
Solvation Polar 5.134 Water bridges -0.155
Solvation Hyd -6.296 Disulfide 0.000
VdW clashes 3.270 Electrost. Kon 0.257
Entropy sc 0.561 Part.cov.bonds 0.000
Entropy mc

5.732

 ΔGstability

18.761
       

Predicted ligand sequences for model [MYO3_1R6S-19.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-19.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRKRWGRKY 0.0
2 RRKRWGRKW 0.09
3 RRKMWGRKY 0.14
4 RRFRWGRKY 0.18
5 RRIRWGRKY 0.2
6 ARKRWGRKY 0.2
7 RRKRFGRKY 0.22
8 RRKMWGRKW 0.23
9 RRFRWGRKW 0.27
10 RRIRWGRKW 0.29
11 ARKRWGRKW 0.29
12 RRKRWGRKF 0.29
13 RDKRWGRKY 0.29
14 RRKRFGRKW 0.31
15 RRFMWGRKY 0.32
16 RRIMWGRKY 0.34
17 ARKMWGRKY 0.34
18 RRKMFGRKY 0.36
19 ARFRWGRKY 0.38
20 RDKRWGRKW 0.38
21 ARIRWGRKY 0.4
22 RRFMWGRKW 0.41
23 RRFRFGRKY 0.41
24 ARKRFGRKY 0.42
25 RRIMWGRKW 0.43
26 RRKMWGRKF 0.43
27 RRIRFGRKY 0.43
28 RDKMWGRKY 0.43
29 ARKMWGRKW 0.43
30 RRKRYGRKY 0.45
31 RRKMFGRKW 0.45
32 RRFRWGRKF 0.47
33 RDFRWGRKY 0.47
34 ARFRWGRKW 0.47
35 ARKRWGRKF 0.48
36 RRIRWGRKF 0.49
37 RDIRWGRKY 0.49
38 ARIRWGRKW 0.49
39 ADKRWGRKY 0.49
40 RRFRFGRKW 0.5
41 RDKRFGRKY 0.51
42 ARKRFGRKW 0.51
43 RRKRFGRKF 0.51
44 ARFMWGRKY 0.52
45 RRIRFGRKW 0.52
46 RDKMWGRKW 0.52
47 RRKRYGRKW 0.54
48 ARIMWGRKY 0.54
49 RRFMFGRKY 0.55
50 RDFRWGRKW 0.56
51 ARKMFGRKY 0.56
52 RRIMFGRKY 0.57
53 RDIRWGRKW 0.58
54 ADKRWGRKW 0.58
55 RDKRWGRKF 0.58
56 RRKMYGRKY 0.59
57 RDKRFGRKW 0.6
58 ARFRFGRKY 0.6
59 RRFMWGRKF 0.61
60 ARFMWGRKW 0.61
61 RDFMWGRKY 0.61
62 ARIRFGRKY 0.62
63 RRIMWGRKF 0.63
64 RRFRYGRKY 0.63
65 ADKMWGRKY 0.63
66 ARIMWGRKW 0.63
67 ARKMWGRKF 0.63
68 RDIMWGRKY 0.64
69 RRFMFGRKW 0.64
70 ARKRYGRKY 0.64
71 RDKMFGRKY 0.65
72 ARKMFGRKW 0.65
73 RRIRYGRKY 0.65
74 RRKMFGRKF 0.65
75 RRIMFGRKW 0.66
76 ADFRWGRKY 0.67
77 ARFRWGRKF 0.67
78 RRKMYGRKW 0.68
79 ARIRWGRKF 0.69
80 ARFRFGRKW 0.69
81 ADIRWGRKY 0.69
82 RDFRFGRKY 0.7
83 RRFRFGRKF 0.7
84 ADKRFGRKY 0.71
85 ARKRFGRKF 0.71
86 ARIRFGRKW 0.71
87 RDFMWGRKW 0.71
88 RDIRFGRKY 0.72
89 RRIRFGRKF 0.72
90 RRFRYGRKW 0.72
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRKMFGRKY

4.44

-9.98

-5.54
2 RDKRWGRKY

3.72

-9.26

-5.54
3 RRKMWGRKY

4.01

-9.47

-5.46
4 RRIMWGRKY

3.76

-9.18

-5.42
5 RDKMWGRKY

4.06

-9.19

-5.13
6 RRKRYGRKY

3.9

-9.01

-5.11
7 RRFMWGRKY

3.51

-8.28

-4.77
8 RRKRWGRKF

3.67

-8.32

-4.65
9 RRIRWGRKY

3.78

-8.42

-4.64
10 RRKMWGRKF

3.71

-8.33

-4.62
11 RRKRWGRKY

4.14

-8.5

-4.36
12 RRFRWGRKY

3.88

-8.09

-4.21
13 RRIRFGRKY

3.96

-8.11

-4.15
14 RRKRFGRKY

3.82

-7.92

-4.1
15 ARKMWGRKY

3.66

-7.72

-4.06
16 RRFRFGRKY

3.99

-7.93

-3.94
17 RRKMWGRKW

3.36

-6.51

-3.15
18 ARFRWGRKY

3.8

-6.84

-3.04
19 RRFMWGRKW

4.11

-6.32

-2.21
20 RRFRWGRKW

4.04

-6.2

-2.16
21 RRKRWGRKW

3.68

-5.79

-2.11
22 RRIMWGRKW

3.93

-5.93

-2.0
23 ARIRWGRKY

3.76

-5.52

-1.76
24 ARKRWGRKY

4.57

-5.57

-1.0
25 ARKRFGRKY

4.88

-5.77

-0.89
26 RRIRWGRKW

4.12

-4.81

-0.69
27 RRKRFGRKW

3.49

-4.09

-0.6
28 ARKMWGRKW

3.52

-4.1

-0.58
29 RDKRWGRKW

3.96

-4.45

-0.49
30 ARKRWGRKW

3.68

-2.8

0.88

 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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