Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1R6S-2.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 10
poly-Ala
A
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 0.386 ΔGbinding -0.645
TOTAL
 -0.259
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.768
Van der Waals -5.176 Backbone clash 0.067
Electrostatics -0.228 Helix dipole 0.000
Solvation Polar 5.850 Water bridges -0.121
Solvation Hyd -7.353 Disulfide 0.000
VdW clashes 3.334 Electrost. Kon -0.290
Entropy sc 0.780 Part.cov.bonds 0.000
Entropy mc

3.067

 ΔGstability

8.684
       

Predicted ligand sequences for model [MYO3_1R6S-2.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-2.PDB  

(data)
# Predicted Sequences Value Calculate
1 HRKRMFRDRW 0.0
2 HRRRMFRDRW 0.02
3 HRMRMFRDRW 0.07
4 HRKRMFRDRH 0.1
5 HRRRMFRDRH 0.13
6 HRMRMFRDRH 0.18
7 HRKRMFRPRW 0.21
8 HRKRDFRDRW 0.24
9 HRRRMFRPRW 0.24
10 HRRRDFRDRW 0.26
11 HRMRMFRPRW 0.29
12 HRKRMFIDRW 0.3
13 HRKRPFRDRW 0.3
14 HRMRDFRDRW 0.31
15 HRRRPFRDRW 0.32
16 HRRRMFIDRW 0.32
17 HRKRMFRPRH 0.32
18 HRRRMFRPRH 0.34
19 HRKRDFRDRH 0.34
20 HRKRMFRRRW 0.36
21 HRRRDFRDRH 0.37
22 HRMRMFIDRW 0.37
23 HRMRPFRDRW 0.37
24 HRRRMFRRRW 0.38
25 HRMRMFRPRH 0.39
26 HRKRPFRDRH 0.4
27 HRKRMFIDRH 0.41
28 HRMRDFRDRH 0.42
29 HRRRPFRDRH 0.42
30 HRMRMFRRRW 0.43
31 HRRRMFIDRH 0.43
32 HRKRDFRPRW 0.45
33 HRKRMFRRRH 0.46
34 HRMRPFRDRH 0.47
35 HRRRDFRPRW 0.48
36 HRMRMFIDRH 0.48
37 HRRRMFRRRH 0.49
38 HRKRPFRPRW 0.51
39 HRKRMFIPRW 0.52
40 HRMRDFRPRW 0.53
41 HRRRPFRPRW 0.53
42 HRRRMFIPRW 0.54
43 HRMRMFRRRH 0.54
44 HRKRDFIDRW 0.54
45 HRRRDFIDRW 0.56
46 HRKRDFRPRH 0.56
47 HRMRPFRPRW 0.58
48 HRRRDFRPRH 0.58
49 HRMRMFIPRW 0.59
50 HRKRDFRRRW 0.6
51 HRKRPFIDRW 0.6
52 HRMRDFIDRW 0.61
53 HRRRPFIDRW 0.62
54 HRKRPFRPRH 0.62
55 HRKRMFIPRH 0.62
56 HRRRDFRRRW 0.62
57 HRMRDFRPRH 0.63
58 HRRRPFRPRH 0.64
59 HRRRMFIPRH 0.64
60 HRKRDFIDRH 0.65
61 HRKRPFRRRW 0.66
62 HRKRMFIRRW 0.66
63 HRMRPFIDRW 0.67
64 HRRRDFIDRH 0.67
65 HRMRDFRRRW 0.67
66 HRRRPFRRRW 0.68
67 HRRRMFIRRW 0.68
68 HRMRPFRPRH 0.69
69 HRMRMFIPRH 0.69
70 HRKRDFRRRH 0.7
71 HRKRPFIDRH 0.7
72 HRMRDFIDRH 0.72
73 HRRRDFRRRH 0.72
74 HRRRPFIDRH 0.73
75 HRMRMFIRRW 0.73
76 HRMRPFRRRW 0.73
77 HRKRDFIPRW 0.76
78 HRKRPFRRRH 0.76
79 HRKRMFIRRH 0.77
80 HRMRDFRRRH 0.77
81 HRRRPFRRRH 0.78
82 HRMRPFIDRH 0.78
83 HRRRDFIPRW 0.78
84 HRRRMFIRRH 0.79
85 HRKRPFIPRW 0.81
86 HRMRDFIPRW 0.83
87 HRMRPFRRRH 0.83
88 HRRRPFIPRW 0.84
89 HRMRMFIRRH 0.84
90 HRKRDFIPRH 0.86
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 HRKRDFRDRW

2.45

-7.91

-5.46
2 HRRRMFRRRW

2.22

-6.96

-4.74
3 HRRRDFRDRH

2.18

-6.86

-4.68
4 HRKRMFIDRH

2.2

-6.8

-4.6
5 HRMRDFRDRH

2.32

-6.91

-4.59
6 HRRRMFIDRW

2.16

-6.69

-4.53
7 HRMRMFIDRW

2.26

-6.76

-4.5
8 HRMRMFRPRW

2.14

-6.43

-4.29
9 HRKRMFRRRW

2.43

-6.69

-4.26
10 HRRRMFRPRH

2.4

-6.61

-4.21
11 HRMRMFRPRH

2.18

-6.32

-4.14
12 HRKRMFRDRH

2.3

-6.29

-3.99
13 HRKRMFIDRW

2.02

-5.97

-3.95
14 HRMRMFRDRW

2.11

-6.06

-3.95
15 HRRRPFRDRH

2.55

-6.47

-3.92
16 HRMRMFRDRH

2.26

-6.17

-3.91
17 HRMRDFRDRW

2.7

-6.59

-3.89
18 HRRRDFRDRW

2.16

-6.03

-3.87
19 HRKRDFRDRH

2.26

-6.09

-3.83
20 HRKRMFRPRW

2.37

-6.1

-3.73
21 HRRRPFRDRW

2.78

-6.46

-3.68
22 HRRRMFRDRW

2.52

-6.09

-3.57
23 HRKRPFRDRW

2.69

-6.18

-3.49
24 HRRRMFRPRW

2.2

-5.6

-3.4
25 HRMRMFRRRW

2.27

-5.64

-3.37
26 HRMRPFRDRW

2.44

-5.7

-3.26
27 HRKRMFRDRW

2.54

-5.8

-3.26
28 HRRRMFRDRH

2.37

-5.63

-3.26
29 HRKRPFRDRH

2.53

-5.44

-2.91
30 HRKRMFRPRH

1.94

-4.71

-2.77

 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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