Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1R6S-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 1.734 ΔGbinding -0.132
TOTAL
 1.602
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.052
Van der Waals -1.278 Backbone clash 0.229
Electrostatics 0.034 Helix dipole 0.000
Solvation Polar 1.666 Water bridges -0.194
Solvation Hyd -1.711 Disulfide 0.000
VdW clashes 0.208 Electrost. Kon 0.040
Entropy sc 0.266 Part.cov.bonds 0.000
Entropy mc

2.059

 ΔGstability

18.266
       

Predicted ligand sequences for model [MYO3_1R6S-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_1R6S-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 EEEIGMPKMR 0.0
2 EEEIGMPKRR 0.02
3 EEEIGMPQMR 0.03
4 EEEIGMPQRR 0.05
5 EEEIGHPKMR 0.08
6 EEEIGRPKMR 0.09
7 EEEIGRPKRR 0.1
8 EEEIGHPKRR 0.1
9 EEEIGHPQMR 0.11
10 EEEIGRPQMR 0.12
11 EEEIGHPQRR 0.13
12 EEEIGRPQRR 0.14
13 EEEIGMPNMR 0.18
14 EEEIGMPNRR 0.2
15 YEEIGMPKMR 0.2
16 EEMIGMPKMR 0.22
17 YEEIGMPKRR 0.22
18 YEEIGMPQMR 0.23
19 EEMIGMPKRR 0.24
20 YEEIGMPQRR 0.25
21 EEMIGMPQMR 0.25
22 EEEIGRPNMR 0.26
23 EEEIGHPNMR 0.26
24 EEMIGMPQRR 0.27
25 EEEMGMPKMR 0.27
26 EEEIGRPNRR 0.28
27 EEEIGMTKMR 0.28
28 YEEIGHPKMR 0.28
29 EEEIGHPNRR 0.28
30 EEEMGMPKRR 0.29
31 YEEIGRPKMR 0.29
32 EEMIGHPKMR 0.3
33 EEEMGMPQMR 0.3
34 YEEIGHPKRR 0.3
35 EEMIGRPKMR 0.3
36 EEEIGMTKRR 0.3
37 YEEIGHPQMR 0.31
38 EEEIGMTQMR 0.31
39 YEEIGRPKRR 0.31
40 YEEIGRPQMR 0.32
41 EEEMGMPQRR 0.32
42 EEMIGHPKRR 0.32
43 EEMIGRPKRR 0.32
44 EEMIGHPQMR 0.33
45 YEEIGHPQRR 0.33
46 EEEIGMTQRR 0.33
47 EEQIGMPKMR 0.33
48 YEEIGRPQRR 0.34
49 EEEIGMEKMR 0.34
50 EEMIGRPQMR 0.34
51 EEEMGHPKMR 0.35
52 EEEIGMEKRR 0.35
53 EEQIGMPKRR 0.35
54 EEMIGRPQRR 0.35
55 EEMIGHPQRR 0.35
56 EEEMGRPKMR 0.35
57 EEEIGHTKMR 0.36
58 EEEIHMPKMR 0.36
59 EEQIGMPQMR 0.36
60 EEEIGMEQMR 0.37
61 EEEMGRPKRR 0.37
62 EEEIGRTKMR 0.37
63 EEEMGHPKRR 0.37
64 EEQIGMPQRR 0.38
65 EEEIHMPKRR 0.38
66 EEEIGRTKRR 0.38
67 YEEIGMPNMR 0.38
68 EEEIGHTKRR 0.38
69 EEEMGHPQMR 0.38
70 EEEMGRPQMR 0.39
71 EEEIGMEQRR 0.39
72 EEEIGHTQMR 0.39
73 EEEIHMPQMR 0.4
74 EEEIGRTQMR 0.4
75 EEEMGHPQRR 0.4
76 EEMIGMPNMR 0.4
77 YEEIGMPNRR 0.4
78 EEEMGRPQRR 0.4
79 EEEIGHTQRR 0.41
80 EEQIGHPKMR 0.41
81 EEEIGHEKMR 0.41
82 EEEIHMPQRR 0.41
83 YEMIGMPKMR 0.42
84 EEMIGMPNRR 0.42
85 EEEIGRTQRR 0.42
86 EEQIGRPKMR 0.42
87 EEEIGREKMR 0.42
88 EEQIGHPKRR 0.43
89 EEEIGHEKRR 0.43
90 EEQIGRPKRR 0.44
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 EEMIGMPKMR

1.74

-6.02

-4.28
2 EEEIGRPQMR

1.74

-5.95

-4.21
3 EEEIGMPKMR

1.74

-5.75

-4.01
4 EEEIGMPQMR

1.92

-5.5

-3.58
5 EEMIGMPQMR

1.87

-5.33

-3.46
6 EEEMGMPKMR

2.71

-6.17

-3.46
7 YEEIGMPQRR

3.45

-6.68

-3.23
8 EEEIGHPQMR

1.86

-4.63

-2.77
9 EEEIGHPNMR

1.92

-4.51

-2.59
10 EEEIGMPKRR

2.04

-4.56

-2.52
11 EEEIGMTKMR

2.19

-4.69

-2.5
12 EEEIGRPKMR

2.06

-4.52

-2.46
13 YEEIGMPKMR

1.9

-4.32

-2.42
14 EEEIGHPKMR

1.94

-4.35

-2.41
15 EEEIGMPNMR

2.0

-4.3

-2.3
16 YEEIGHPKMR

2.02

-4.31

-2.29
17 YEEIGMPQMR

1.97

-4.25

-2.28
18 EEEIGRPKRR

2.71

-4.93

-2.22
19 EEEIGHPQRR

3.96

-6.16

-2.2
20 EEEIGRPNMR

2.36

-4.44

-2.08
21 YEEIGMPKRR

2.65

-4.72

-2.07
22 EEEIGMPQRR

4.1

-5.99

-1.89
23 EEEIGRPQRR

2.95

-4.84

-1.89
24 EEMIGMPQRR

2.36

-4.17

-1.81
25 EEEMGMPKRR

3.69

-5.37

-1.68
26 EEEIGHPKRR

2.45

-3.77

-1.32
27 EEEIGHPNRR

2.58

-3.04

-0.46
28 EEMIGMPKRR

2.38

-2.77

-0.39
29 EEEIGMPNRR

3.28

-3.13

0.15
30 EEEIGRPNRR

2.98

-2.21

0.77

 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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