Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1R6S-11.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7
poly-Ala
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    

(Help)

Intraclash 0.518 ΔGbinding 0.905
TOTAL
 1.423
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.768
Van der Waals -3.270 Backbone clash 0.024
Electrostatics 0.136 Helix dipole 0.000
Solvation Polar 3.707 Water bridges 0.000
Solvation Hyd -4.217 Disulfide 0.000
VdW clashes 0.105 Electrost. Kon 0.170
Entropy sc 0.242 Part.cov.bonds 0.000
Entropy mc

3.264

 ΔGstability

10.809
       

Predicted ligand sequences for model [MYO3_1R6S-11.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-11.PDB  

(data)
# Predicted Sequences Value Calculate
1 RMWIPPR 0.0
2 RMPIPPR 0.03
3 RMEIPPR 0.15
4 RMWIPGR 0.18
5 RMPIPGR 0.21
6 RMWMPPR 0.22
7 RRWIPPR 0.23
8 RMWIPSR 0.24
9 RMPMPPR 0.25
10 RMPIPSR 0.27
11 RRPIPPR 0.27
12 RMWIFPR 0.33
13 RMEIPGR 0.33
14 RMWIPPK 0.36
15 RMPIFPR 0.36
16 RMEMPPR 0.37
17 RMPIPPK 0.39
18 RMWMPGR 0.39
19 RMEIPSR 0.39
20 RREIPPR 0.39
21 RRWIPGR 0.41
22 RMPMPGR 0.43
23 RRPIPGR 0.44
24 RMWIPPW 0.45
25 RMWMPSR 0.45
26 RRWMPPR 0.45
27 RRWIPSR 0.47
28 RMPIPPW 0.48
29 RRPMPPR 0.48
30 RMEIFPR 0.48
31 RMPMPSR 0.49
32 RMWIFGR 0.5
33 RRPIPSR 0.5
34 RMEIPPK 0.51
35 RMWIPGK 0.54
36 RMPIFGR 0.54
37 RMEMPGR 0.54
38 RMWMFPR 0.54
39 RREIPGR 0.56
40 RRWIFPR 0.56
41 RMWIFSR 0.56
42 RMPIPGK 0.57
43 RMPMFPR 0.58
44 RMWMPPK 0.58
45 RRWIPPK 0.59
46 RRPIFPR 0.59
47 RREMPPR 0.6
48 RMPIFSR 0.6
49 RMEMPSR 0.6
50 RMEIPPW 0.6
51 RMWIPSK 0.6
52 RMPMPPK 0.61
53 RMWIPGW 0.62
54 RREIPSR 0.62
55 RRPIPPK 0.63
56 RMPIPSK 0.63
57 RRWMPGR 0.63
58 RMEIFGR 0.65
59 RRPMPGR 0.66
60 RMPIPGW 0.66
61 RMWMPPW 0.66
62 RRWIPPW 0.68
63 RMWIPSW 0.68
64 RMWIFPK 0.69
65 RRWMPSR 0.69
66 RMEIPGK 0.69
67 RMPMPPW 0.7
68 RMEMFPR 0.7
69 RREIFPR 0.71
70 RMEIFSR 0.71
71 RRPIPPW 0.71
72 RMPIPSW 0.72
73 RRPMPSR 0.72
74 RMWMFGR 0.72
75 RMPIFPK 0.72
76 RMEMPPK 0.73
77 RRWIFGR 0.74
78 RMWMPGK 0.75
79 RMEIPSK 0.75
80 RREIPPK 0.75
81 RMPMFGR 0.75
82 RMWIFPW 0.77
83 RRPIFGR 0.77
84 RRWIPGK 0.77
85 RMEIPGW 0.77
86 RMWMFSR 0.78
87 RREMPGR 0.78
88 RRWMFPR 0.78
89 RMPMPGK 0.79
90 RRPIPGK 0.8
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RMEIPPR

2.54

-7.61

-5.07
2 RMPIPPR

2.31

-7.16

-4.85
3 RMEMPPR

2.24

-7.04

-4.8
4 RMPIPPK

1.86

-6.58

-4.72
5 RMPIPSR

2.55

-7.14

-4.59
6 RMEIPGR

2.22

-6.56

-4.34
7 RMPMPPR

1.65

-5.94

-4.29
8 RREIPPR

2.55

-6.84

-4.29
9 RRPMPPR

1.91

-6.19

-4.28
10 RRWIPPR

2.4

-6.6

-4.2
11 RMPMPGR

2.06

-6.23

-4.17
12 RMWIPPW

2.13

-6.25

-4.12
13 RMWMPPR

1.89

-5.95

-4.06
14 RMWIPPR

2.09

-6.09

-4.0
15 RRWMPPR

1.99

-5.9

-3.91
16 RMWIPPK

1.98

-5.89

-3.91
17 RMEIPSR

2.74

-6.6

-3.86
18 RMPIPGR

2.33

-6.13

-3.8
19 RMWMPGR

2.03

-5.82

-3.79
20 RRPIPGR

2.48

-6.21

-3.73
21 RMEIFPR

2.63

-6.35

-3.72
22 RRPIPPR

1.97

-5.66

-3.69
23 RMWIPGR

2.14

-5.71

-3.57
24 RRWIPSR

2.4

-5.89

-3.49
25 RMPIPPW

1.91

-5.36

-3.45
26 RMWMPSR

2.36

-5.36

-3.0
27 RMWIPSR

2.29

-5.24

-2.95
28 RMPIFPR

3.0

-5.73

-2.73
29 RMWIFPR

2.75

-5.33

-2.58
30 RRWIPGR

2.47

-4.66

-2.19

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER