Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1VA7-21.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 1.914 ΔGbinding -0.540
TOTAL
 1.374
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.057
Van der Waals -1.370 Backbone clash 0.181
Electrostatics 0.032 Helix dipole 0.000
Solvation Polar 1.588 Water bridges -0.209
Solvation Hyd -1.941 Disulfide 0.000
VdW clashes 0.200 Electrost. Kon 0.031
Entropy sc 0.290 Part.cov.bonds 0.000
Entropy mc

2.056

 ΔGstability

10.883
       

Predicted ligand sequences for model [MYO3_1VA7-21.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_1VA7-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 EERMGMPMMK 0.0
2 EERIGMPMMK 0.02
3 EERMGHPMMK 0.09
4 EERMGRPMMK 0.09
5 EERIGHPMMK 0.1
6 EERIGRPMMK 0.11
7 EERMGMPMRK 0.17
8 EERMGMPKMK 0.18
9 EERIGMPMRK 0.18
10 EERIGMPKMK 0.2
11 EERMGHPMRK 0.25
12 EERMGMTMMK 0.26
13 EERMGRPMRK 0.26
14 EERMGHPKMK 0.27
15 EERMGRPKMK 0.27
16 EERIGHPMRK 0.27
17 YERMGMPMMK 0.27
18 EERIGRPMRK 0.27
19 EERIGHPKMK 0.28
20 YERIGMPMMK 0.28
21 EERIGMTMMK 0.28
22 EERMGMEMMK 0.29
23 EERIGRPKMK 0.29
24 EERIGMEMMK 0.31
25 EERMGHTMMK 0.34
26 YERMGHPMMK 0.35
27 EERMGMPKRK 0.35
28 EERMGRTMMK 0.35
29 EERIGMPKRK 0.36
30 YERMGRPMMK 0.36
31 EERIGHTMMK 0.36
32 YERIGHPMMK 0.37
33 YERIGRPMMK 0.37
34 EERIGRTMMK 0.37
35 EERMGHEMMK 0.38
36 EERMGMPMMR 0.39
37 EERMGREMMK 0.39
38 EERIGHEMMK 0.4
39 EERIGREMMK 0.4
40 EERIGMPMMR 0.41
41 EERMGMTMRK 0.42
42 YERMGMPMRK 0.43
43 EERMGHPKRK 0.43
44 EERIGMTMRK 0.44
45 WERMGMPMMK 0.44
46 EERMGMTKMK 0.44
47 EERMGRPKRK 0.44
48 YERIGMPMRK 0.45
49 EERIGHPKRK 0.45
50 EERIGRPKRK 0.45
51 EERMHMPMMK 0.45
52 YERMGMPKMK 0.45
53 EERIGMTKMK 0.46
54 EERIHMPMMK 0.46
55 YERIGMPKMK 0.46
56 EERMGMEMRK 0.46
57 WERIGMPMMK 0.46
58 EERIGMEMRK 0.47
59 EERMGMEKMK 0.47
60 EERMGHPMMR 0.48
61 EERMGRPMMR 0.48
62 EERIGHPMMR 0.49
63 EERIGMEKMK 0.49
64 EERIGRPMMR 0.5
65 EERMGHTMRK 0.51
66 YERMGHPMRK 0.52
67 EERMGRTMRK 0.52
68 YERMGMTMMK 0.52
69 YERMGRPMRK 0.52
70 WERMGHPMMK 0.53
71 WERMGRPMMK 0.53
72 YERIGHPMRK 0.53
73 YERMGHPKMK 0.53
74 EERMGHTKMK 0.53
75 EERMGRTKMK 0.53
76 EERMHHPMMK 0.53
77 EERIGHTMRK 0.53
78 EERIGRTMRK 0.53
79 WERIGHPMMK 0.54
80 YERIGMTMMK 0.54
81 EERMGHEMRK 0.54
82 YERIGRPMRK 0.54
83 EERIGHTKMK 0.54
84 EERMHRPMMK 0.54
85 YERMGRPKMK 0.54
86 EERIGRTKMK 0.55
87 YERIGHPKMK 0.55
88 WERIGRPMMK 0.55
89 EERIHHPMMK 0.55
90 EERMGREMRK 0.55
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 EERMGMTMMK

2.61

-8.88

-6.27
2 EERMGMPMMK

2.09

-7.4

-5.31
3 EERMGHTMMK

1.94

-7.17

-5.23
4 EERMGRPKMK

1.61

-6.78

-5.17
5 YERMGRPMMK

2.1

-7.04

-4.94
6 EERMGRPMMK

2.25

-6.97

-4.72
7 EERIGRPKMK

2.1

-6.6

-4.5
8 YERMGMPMMK

2.15

-6.65

-4.5
9 EERIGMEMMK

2.07

-6.53

-4.46
10 EERIGMPKMK

1.9

-6.25

-4.35
11 YERIGMPMMK

1.88

-6.11

-4.23
12 EERMGHPMMK

1.81

-5.95

-4.14
13 EERMGRTMMK

1.99

-6.13

-4.14
14 EERMGMEMMK

2.31

-6.35

-4.04
15 EERMGHPKMK

2.24

-6.26

-4.02
16 YERMGHPMMK

2.24

-6.18

-3.94
17 EERIGMPMMK

2.12

-6.03

-3.91
18 EERIGRPMMK

2.2

-6.01

-3.81
19 EERMGRPMRK

2.05

-5.75

-3.7
20 EERMGMPKMK

1.98

-5.34

-3.36
21 EERIGMTMMK

2.45

-5.37

-2.92
22 EERIGHPMMK

1.99

-4.81

-2.82
23 EERIGHPKMK

1.92

-4.61

-2.69
24 EERMGMPMRK

2.97

-5.16

-2.19
25 EERMGMPKRK

2.77

-4.89

-2.12
26 EERIGMPMRK

2.63

-4.71

-2.08
27 EERIGRPMRK

2.0

-3.88

-1.88
28 EERMGHPMRK

3.31

-5.11

-1.8
29 EERIGHPMRK

2.86

-4.19

-1.33
30 EERIGMPKRK

2.86

-3.85

-0.99

 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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