Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1ZUY-19.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
poly-Ala
A
A
A
A
 A
G
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 0.850 ΔGbinding 3.514
TOTAL
 4.364
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.220
Van der Waals -4.654 Backbone clash 0.011
Electrostatics 0.205 Helix dipole 0.000
Solvation Polar 5.112 Water bridges -0.045
Solvation Hyd -6.444 Disulfide 0.000
VdW clashes 3.006 Electrost. Kon 0.271
Entropy sc 0.429 Part.cov.bonds 0.000
Entropy mc

5.414

 ΔGstability

30.426
       

Predicted ligand sequences for model [MYO3_1ZUY-19.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_1ZUY-19.PDB  

(data)
# Predicted Sequences Value Calculate
1 RDKRWGRHY 0.0
2 RDRRWGRHY 0.02
3 RDFRWGRHY 0.16
4 RDKRWGRHF 0.18
5 RDRRWGRHF 0.19
6 RDYRWGRHY 0.2
7 RDIRWGRHY 0.23
8 NDKRWGRHY 0.24
9 NDRRWGRHY 0.26
10 RDKRFGRHY 0.33
11 RDFRWGRHF 0.33
12 RDRRFGRHY 0.35
13 RDYRWGRHF 0.37
14 NDFRWGRHY 0.4
15 RDIRWGRHF 0.41
16 NDKRWGRHF 0.42
17 NDYRWGRHY 0.44
18 NDRRWGRHF 0.44
19 RDKRNGRHY 0.47
20 RDRRNGRHY 0.48
21 NDIRWGRHY 0.48
22 RDFRFGRHY 0.49
23 RDKRWGRHI 0.51
24 RDKRFGRHF 0.51
25 RDKRMGRHY 0.52
26 RDYRFGRHY 0.53
27 RDRRMGRHY 0.53
28 RDRRFGRHF 0.53
29 RDRRWGRHI 0.53
30 RDKRYGRHY 0.55
31 RDRRYGRHY 0.56
32 RDIRFGRHY 0.57
33 NDKRFGRHY 0.58
34 NDFRWGRHF 0.58
35 NDRRFGRHY 0.59
36 RDFRNGRHY 0.62
37 NDYRWGRHF 0.62
38 RDKRNGRHF 0.65
39 NDIRWGRHF 0.65
40 RDRRNGRHF 0.66
41 RDYRNGRHY 0.66
42 RDFRFGRHF 0.67
43 RDFRMGRHY 0.67
44 RDFRWGRHI 0.67
45 RDIRNGRHY 0.7
46 RDFRYGRHY 0.7
47 RDKRMGRHF 0.7
48 RDYRFGRHF 0.71
49 RDRRMGRHF 0.71
50 NDKRNGRHY 0.71
51 RDYRMGRHY 0.71
52 RDYRWGRHI 0.71
53 RDKRYGRHF 0.72
54 NDFRFGRHY 0.73
55 NDRRNGRHY 0.73
56 RDRRYGRHF 0.74
57 RDYRYGRHY 0.74
58 RDIRWGRHI 0.74
59 RDIRFGRHF 0.75
60 NDKRFGRHF 0.75
61 RDIRMGRHY 0.75
62 NDKRWGRHI 0.75
63 NDKRMGRHY 0.76
64 NDYRFGRHY 0.77
65 NDRRFGRHF 0.77
66 NDRRWGRHI 0.77
67 NDRRMGRHY 0.78
68 RDIRYGRHY 0.78
69 NDKRYGRHY 0.79
70 RDFRNGRHF 0.8
71 NDRRYGRHY 0.8
72 NDIRFGRHY 0.81
73 RDKRFGRHI 0.84
74 RDYRNGRHF 0.84
75 RDFRMGRHF 0.85
76 RDRRFGRHI 0.86
77 NDFRNGRHY 0.87
78 RDIRNGRHF 0.88
79 RDFRYGRHF 0.88
80 NDKRNGRHF 0.89
81 RDYRMGRHF 0.89
82 NDRRNGRHF 0.91
83 NDYRNGRHY 0.91
84 NDFRWGRHI 0.91
85 NDFRFGRHF 0.91
86 NDFRMGRHY 0.92
87 RDYRYGRHF 0.92
88 RDIRMGRHF 0.93
89 NDIRNGRHY 0.94
90 NDFRYGRHY 0.94
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RDFRWGRHF

2.84

-7.09

-4.25
2 RDKRMGRHY

3.21

-7.38

-4.17
3 RDFRWGRHY

3.21

-7.14

-3.93
4 RDYRWGRHY

3.0

-6.92

-3.92
5 RDKRYGRHY

3.18

-6.41

-3.23
6 RDYRWGRHF

3.0

-6.12

-3.12
7 RDKRWGRHF

3.0

-6.09

-3.09
8 RDRRNGRHY

3.19

-6.24

-3.05
9 RDKRFGRHY

3.34

-6.35

-3.01
10 RDYRFGRHY

3.44

-6.38

-2.94
11 RDKRFGRHF

2.81

-5.5

-2.69
12 RDRRWGRHY

3.48

-6.09

-2.61
13 RDRRWGRHF

3.78

-6.23

-2.45
14 RDRRWGRHI

3.17

-5.54

-2.37
15 RDIRWGRHF

3.04

-5.38

-2.34
16 NDRRWGRHF

2.89

-4.98

-2.09
17 NDFRWGRHY

3.39

-5.44

-2.05
18 RDRRFGRHF

2.99

-4.99

-2.0
19 RDIRWGRHY

3.03

-4.96

-1.93
20 RDRRFGRHY

3.22

-5.08

-1.86
21 RDRRMGRHY

3.53

-5.3

-1.77
22 NDKRWGRHF

2.95

-4.7

-1.75
23 RDFRFGRHY

3.29

-4.68

-1.39
24 RDKRWGRHI

2.93

-4.21

-1.28
25 NDIRWGRHY

2.77

-3.93

-1.16
26 NDKRWGRHY

2.74

-3.87

-1.13
27 RDKRWGRHY

3.82

-4.82

-1.0
28 NDYRWGRHY

2.98

-3.81

-0.83
29 RDKRNGRHY

3.31

-4.09

-0.78
30 NDRRWGRHY

2.94

-3.39

-0.45

 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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