Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1VA7-20.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 2.762 ΔGbinding 0.558
TOTAL
 3.320
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.180
Van der Waals -4.459 Backbone clash 0.076
Electrostatics 0.153 Helix dipole 0.000
Solvation Polar 4.793 Water bridges -0.016
Solvation Hyd -6.097 Disulfide 0.000
VdW clashes 2.859 Electrost. Kon 0.186
Entropy sc 0.629 Part.cov.bonds 0.000
Entropy mc

4.881

 ΔGstability

11.426
       

Predicted ligand sequences for model [MYO5_1VA7-20.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_1VA7-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 RMPKRGRRF 0.0
2 RMHKRGRRF 0.09
3 RMRKRGRRF 0.12
4 RMPMRGRRF 0.16
5 RMPKRGRRY 0.22
6 RMHMRGRRF 0.25
7 RMRMRGRRF 0.28
8 RMPKWGRRF 0.3
9 RMHKRGRRY 0.32
10 RMPRRGRRF 0.33
11 RMRKRGRRY 0.35
12 RMPKRGRRW 0.36
13 RMPMRGRRY 0.38
14 RMHKWGRRF 0.39
15 RMHRRGRRF 0.42
16 RMRKWGRRF 0.42
17 RMHKRGRRW 0.45
18 RMRRRGRRF 0.45
19 RKPKRGRRF 0.46
20 RMPMWGRRF 0.46
21 RMHMRGRRY 0.48
22 RMRKRGRRW 0.49
23 RMRMRGRRY 0.51
24 RMPMRGRRW 0.52
25 RMPKWGRRY 0.52
26 RMHMWGRRF 0.55
27 RKHKRGRRF 0.55
28 RMPRRGRRY 0.55
29 RKRKRGRRF 0.58
30 RMRMWGRRF 0.58
31 RMHKWGRRY 0.61
32 RMHMRGRRW 0.61
33 RKPMRGRRF 0.62
34 RMPRWGRRF 0.63
35 RMHRRGRRY 0.64
36 RMRMRGRRW 0.65
37 RMRKWGRRY 0.65
38 RMPKWGRRW 0.66
39 RKPKRGRRY 0.68
40 RMPMWGRRY 0.68
41 RMRRRGRRY 0.68
42 RMPRRGRRW 0.69
43 RKHMRGRRF 0.71
44 RMHRWGRRF 0.72
45 RKRMRGRRF 0.74
46 RMRRWGRRF 0.75
47 RMHKWGRRW 0.75
48 RKPKWGRRF 0.76
49 RMHMWGRRY 0.77
50 RMHRRGRRW 0.78
51 RKHKRGRRY 0.78
52 RMRKWGRRW 0.79
53 RKPRRGRRF 0.79
54 RKRKRGRRY 0.81
55 RMRMWGRRY 0.81
56 RMRRRGRRW 0.81
57 RKPKRGRRW 0.82
58 RMPMWGRRW 0.82
59 RKPMRGRRY 0.84
60 RMPRWGRRY 0.85
61 RKHKWGRRF 0.85
62 RKRKWGRRF 0.88
63 RKHRRGRRF 0.88
64 RMHMWGRRW 0.91
65 RKHKRGRRW 0.91
66 RKRRRGRRF 0.91
67 RKPMWGRRF 0.92
68 RMHRWGRRY 0.94
69 RKHMRGRRY 0.94
70 RKRKRGRRW 0.95
71 RMRMWGRRW 0.95
72 RMRRWGRRY 0.97
73 RKRMRGRRY 0.97
74 RKPKWGRRY 0.98
75 RKPMRGRRW 0.98
76 RMPRWGRRW 0.99
77 RKPRRGRRY 1.01
78 RKHMWGRRF 1.01
79 RKRMWGRRF 1.04
80 RKHKWGRRY 1.07
81 RKHMRGRRW 1.07
82 RMHRWGRRW 1.08
83 RKPRWGRRF 1.08
84 RKHRRGRRY 1.1
85 RKRKWGRRY 1.11
86 RMRRWGRRW 1.11
87 RKRMRGRRW 1.11
88 RKPKWGRRW 1.12
89 RKRRRGRRY 1.13
90 RKPMWGRRY 1.14
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RMPMRGRRF

2.29

-9.93

-7.64
2 RMRMRGRRY

2.25

-9.67

-7.42
3 RMHMRGRRY

1.95

-8.93

-6.98
4 RMHMRGRRF

2.24

-9.06

-6.82
5 RMPKWGRRY

2.09

-8.86

-6.77
6 RMPMWGRRF

2.07

-8.52

-6.45
7 RMPKWGRRF

2.0

-8.45

-6.45
8 RMPMRGRRW

2.04

-8.47

-6.43
9 RMPKRGRRY

2.12

-8.49

-6.37
10 RMHKRGRRF

2.24

-8.48

-6.24
11 RMRRRGRRF

2.58

-8.66

-6.08
12 RMRKRGRRY

2.08

-8.01

-5.93
13 RMPRRGRRY

2.25

-8.18

-5.93
14 RMHKRGRRY

1.86

-7.69

-5.83
15 RMRMRGRRF

3.27

-9.06

-5.79
16 RMRMWGRRF

2.37

-8.13

-5.76
17 RMPKRGRRF

2.12

-7.8

-5.68
18 RMRKRGRRF

2.09

-7.6

-5.51
19 RMPRRGRRF

3.03

-8.51

-5.48
20 RMPMRGRRY

3.46

-8.8

-5.34
21 RMPKRGRRW

2.36

-7.65

-5.29
22 RKRKRGRRF

2.19

-7.41

-5.22
23 RMHMWGRRF

2.49

-7.69

-5.2
24 RMHKWGRRF

2.11

-7.24

-5.13
25 RKPKRGRRF

3.03

-7.69

-4.66
26 RMRKRGRRW

2.68

-7.32

-4.64
27 RMRKWGRRF

2.09

-6.64

-4.55
28 RMHRRGRRF

2.34

-6.89

-4.55
29 RKHKRGRRF

2.39

-6.24

-3.85
30 RMHKRGRRW

2.76

-6.23

-3.47

 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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