Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1R6S-1.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 0.274 ΔGbinding -4.045
TOTAL
 -3.771
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.923
Van der Waals -4.473 Backbone clash 0.120
Electrostatics -0.203 Helix dipole 0.000
Solvation Polar 4.959 Water bridges 0.000
Solvation Hyd -6.370 Disulfide 0.000
VdW clashes 0.717 Electrost. Kon -0.268
Entropy sc 0.877 Part.cov.bonds 0.000
Entropy mc

2.343

 ΔGstability

7.712
       

Predicted ligand sequences for model [MYO3_1R6S-1.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-1.PDB  

(data)
# Predicted Sequences Value Calculate
1 RLRRRRMRRY 0.0
2 RLSRRRMRRY 0.03
3 RLRRRIMRRY 0.04
4 RMRRRRMRRY 0.05
5 RLSRRIMRRY 0.06
6 RLLRRRMRRY 0.07
7 RLRRRHMRRY 0.08
8 RMSRRRMRRY 0.08
9 RMRRRIMRRY 0.09
10 RLRRRRMRLY 0.09
11 RLLRRIMRRY 0.1
12 RLSRRHMRRY 0.11
13 RMSRRIMRRY 0.11
14 RMLRRRMRRY 0.12
15 RLSRRRMRLY 0.12
16 RLRRRRRRRY 0.13
17 RMRRRHMRRY 0.13
18 RLRRRRMKRY 0.13
19 RLRRRIMRLY 0.13
20 RMRRRRMRLY 0.14
21 RMLRRIMRRY 0.15
22 RLLRRHMRRY 0.15
23 RLLRRRMRLY 0.16
24 RLSRRRRRRY 0.16
25 RLSRRRMKRY 0.16
26 RMSRRHMRRY 0.16
27 RLSRRIMRLY 0.16
28 RLRRRIRRRY 0.17
29 RMSRRRMRLY 0.17
30 RLRRRIMKRY 0.17
31 RLRRRHMRLY 0.17
32 RMRRRRRRRY 0.18
33 RLRRRRPRRY 0.18
34 RMRRRRMKRY 0.18
35 RMRRRIMRLY 0.18
36 RLSRRIMKRY 0.19
37 RLLRRIMRLY 0.19
38 RLLRRRRRRY 0.2
39 RMLRRHMRRY 0.2
40 RLSRRHMRLY 0.2
41 RLSRRIRRRY 0.2
42 RLSRRRPRRY 0.2
43 RLLRRRMKRY 0.2
44 RLRRRHMKRY 0.21
45 RMLRRRMRLY 0.21
46 RMSRRIMRLY 0.21
47 RMSRRRMKRY 0.21
48 RLRRRHRRRY 0.21
49 RMSRRRRRRY 0.21
50 RLRRRIPRRY 0.21
51 RMRRRIRRRY 0.22
52 RMRRRIMKRY 0.22
53 RLRRRRRRLY 0.23
54 RMRRRRPRRY 0.23
55 RLRRRRMKLY 0.23
56 RLRRRRMRKY 0.23
57 RLLRRIMKRY 0.23
58 RMRRRHMRLY 0.23
59 RLLRRIRRRY 0.23
60 RMLRRIMRLY 0.24
61 RLSRRHRRRY 0.24
62 RLSRRHMKRY 0.24
63 RMSRRIMKRY 0.24
64 RLSRRIPRRY 0.24
65 RLLRRHMRLY 0.24
66 RLLRRRPRRY 0.24
67 RMSRRHMRLY 0.25
68 RLRRRRMPRY 0.25
69 RMLRRRRRRY 0.25
70 RLSRRRMRKY 0.25
71 RMLRRRMKRY 0.25
72 RMSRRIRRRY 0.25
73 RLSRRRMKLY 0.25
74 RHRRRRMRRY 0.26
75 RMRRRIPRRY 0.26
76 RLRRRIMRKY 0.26
77 RLSRRRRRLY 0.26
78 RLRRRIRRLY 0.26
79 RMSRRRPRRY 0.26
80 RMRRRHMKRY 0.26
81 RLRRRIMKLY 0.26
82 RLRRRHPRRY 0.26
83 RLRRRRRKRY 0.27
84 RLRRRRMRRF 0.27
85 RLRRRRPRLY 0.27
86 RMRRRHRRRY 0.27
87 RLRRRIMPRY 0.28
88 RMRRRRMRKY 0.28
89 RLLRRHMKRY 0.28
90 RLSRRHPRRY 0.28
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RLRRRRMRLY

2.08

-11.04

-8.96
2 RLSRRHMRRY

1.83

-10.33

-8.5
3 RLLRRRMRRY

2.02

-10.37

-8.35
4 RMLRRRMRRY

1.83

-9.8

-7.97
5 RMSRRHMRRY

1.56

-9.34

-7.78
6 RLLRRHMRRY

1.95

-9.56

-7.61
7 RMSRRRMRLY

1.82

-9.4

-7.58
8 RLRRRHMRRY

1.7

-8.97

-7.27
9 RLRRRRMKRY

2.16

-9.41

-7.25
10 RMRRRRMRLY

1.84

-8.94

-7.1
11 RMRRRHMRRY

1.62

-8.68

-7.06
12 RLRRRIMRLY

3.31

-10.19

-6.88
13 RLSRRRMRLY

2.04

-8.9

-6.86
14 RLRRRRMRRY

1.95

-8.81

-6.86
15 RLRRRIMRRY

3.02

-9.84

-6.82
16 RLLRRRMRLY

2.02

-8.82

-6.8
17 RLSRRIMRLY

2.58

-9.35

-6.77
18 RLSRRRMKRY

2.26

-9.01

-6.75
19 RLSRRRMRRY

2.01

-8.39

-6.38
20 RMSRRRMRRY

1.66

-8.02

-6.36
21 RLRRRRRRRY

2.34

-8.55

-6.21
22 RMRRRRMRRY

1.78

-7.81

-6.03
23 RLLRRIMRRY

2.55

-8.47

-5.92
24 RMSRRIMRRY

2.47

-8.26

-5.79
25 RMLRRIMRRY

1.85

-7.63

-5.78
26 RLSRRIMRRY

2.29

-7.98

-5.69
27 RLRRRIMKRY

1.98

-7.51

-5.53
28 RMRRRIMRRY

1.88

-7.25

-5.37
29 RLSRRRRRRY

2.1

-7.37

-5.27
30 RLRRRIRRRY

3.95

-8.07

-4.12

 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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