Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1VA7-19.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 5.193 ΔGbinding 5.119
TOTAL
 10.312
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.591
Van der Waals -4.868 Backbone clash 0.013
Electrostatics 0.167 Helix dipole 0.000
Solvation Polar 5.344 Water bridges -0.110
Solvation Hyd -6.745 Disulfide 0.000
VdW clashes 4.282 Electrost. Kon 0.211
Entropy sc 0.440 Part.cov.bonds 0.000
Entropy mc

5.807

 ΔGstability

20.960
       

Predicted ligand sequences for model [MYO5_1VA7-19.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).
 
  MYO5_1VA7-19.PDB  

(data)
# Predicted Sequences Value Calculate
1 RMKMWGRRY 0.0
2 RMKRWGRRY 0.13
3 RMFMWGRRY 0.13
4 RMIMWGRRY 0.2
5 RMFRWGRRY 0.27
6 AMKMWGRRY 0.32
7 RMIRWGRRY 0.34
8 RMKMWGRRF 0.35
9 AMKRWGRRY 0.45
10 AMFMWGRRY 0.45
11 RLKMWGRRY 0.46
12 RMKMFGRRY 0.47
13 RMKRWGRRF 0.49
14 RMFMWGRRF 0.49
15 AMIMWGRRY 0.52
16 RMIMWGRRF 0.56
17 RLKRWGRRY 0.59
18 RLFMWGRRY 0.59
19 AMFRWGRRY 0.59
20 RMFMFGRRY 0.6
21 RMKRFGRRY 0.6
22 RMFRWGRRF 0.62
23 AMIRWGRRY 0.66
24 RLIMWGRRY 0.66
25 RMIMFGRRY 0.67
26 AMKMWGRRF 0.67
27 RMIRWGRRF 0.69
28 RLFRWGRRY 0.72
29 RMFRFGRRY 0.73
30 ALKMWGRRY 0.77
31 AMKMFGRRY 0.78
32 RLIRWGRRY 0.79
33 AMKRWGRRF 0.8
34 RMIRFGRRY 0.8
35 AMFMWGRRF 0.8
36 RLKMWGRRF 0.81
37 RMKMFGRRF 0.82
38 AMIMWGRRF 0.88
39 ALFMWGRRY 0.91
40 ALKRWGRRY 0.91
41 AMFMFGRRY 0.92
42 RLKMFGRRY 0.92
43 AMKRFGRRY 0.92
44 RLKRWGRRF 0.94
45 RLFMWGRRF 0.94
46 AMFRWGRRF 0.94
47 RMFMFGRRF 0.95
48 RMKRFGRRF 0.95
49 ALIMWGRRY 0.98
50 AMIMFGRRY 0.99
51 AMIRWGRRF 1.01
52 RLIMWGRRF 1.01
53 RMIMFGRRF 1.02
54 ALFRWGRRY 1.04
55 AMFRFGRRY 1.05
56 RLKRFGRRY 1.06
57 RLFMFGRRY 1.06
58 RLFRWGRRF 1.08
59 RMFRFGRRF 1.09
60 ALIRWGRRY 1.11
61 AMIRFGRRY 1.12
62 RLIMFGRRY 1.13
63 ALKMWGRRF 1.13
64 AMKMFGRRF 1.14
65 RLIRWGRRF 1.15
66 RMIRFGRRF 1.16
67 RLFRFGRRY 1.19
68 ALKMFGRRY 1.24
69 ALFMWGRRF 1.26
70 RLIRFGRRY 1.26
71 ALKRWGRRF 1.26
72 AMKRFGRRF 1.27
73 AMFMFGRRF 1.27
74 RLKMFGRRF 1.27
75 ALIMWGRRF 1.33
76 AMIMFGRRF 1.34
77 ALFMFGRRY 1.37
78 ALKRFGRRY 1.37
79 ALFRWGRRF 1.4
80 RLKRFGRRF 1.41
81 RLFMFGRRF 1.41
82 AMFRFGRRF 1.41
83 ALIMFGRRY 1.44
84 ALIRWGRRF 1.47
85 RLIMFGRRF 1.48
86 AMIRFGRRF 1.48
87 ALFRFGRRY 1.51
88 RLFRFGRRF 1.54
89 ALIRFGRRY 1.58
90 ALKMFGRRF 1.59
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RMKMWGRRF

4.37

-8.1

-3.73
2 RMKMWGRRY

4.45

-8.08

-3.63
3 RLKMWGRRY

4.73

-8.29

-3.56
4 RLFMWGRRY

4.65

-8.14

-3.49
5 RLFRWGRRY

4.26

-7.72

-3.46
6 RMKMFGRRY

4.17

-7.61

-3.44
7 RLKRWGRRY

5.02

-8.4

-3.38
8 RLIMWGRRY

4.45

-7.83

-3.38
9 RMFMFGRRY

5.17

-8.45

-3.28
10 RMFMWGRRY

4.69

-7.77

-3.08
11 RMKRFGRRY

4.67

-7.72

-3.05
12 RMIMWGRRF

4.46

-7.05

-2.59
13 AMKMWGRRY

5.05

-7.64

-2.59
14 RMKRWGRRF

4.69

-7.19

-2.5
15 RMFRFGRRY

5.18

-7.63

-2.45
16 RMIMFGRRY

6.08

-8.52

-2.44
17 RMIMWGRRY

4.74

-7.18

-2.44
18 AMKMWGRRF

4.25

-6.61

-2.36
19 AMIMWGRRY

4.44

-6.8

-2.36
20 ALKMWGRRY

4.79

-6.88

-2.09
21 RMFRWGRRY

4.51

-6.24

-1.73
22 AMFMWGRRY

5.28

-6.94

-1.66
23 RMKRWGRRY

4.87

-6.41

-1.54
24 RMFRWGRRF

4.51

-5.93

-1.42
25 AMIRWGRRY

4.53

-5.89

-1.36
26 RMIRWGRRY

4.62

-5.93

-1.31
27 RMFMWGRRF

4.8

-6.02

-1.22
28 RMIRWGRRF

4.64

-5.81

-1.17
29 AMFRWGRRY

5.26

-5.82

-0.56
30 AMKRWGRRY

4.67

-4.86

-0.19

 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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