Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1YP5-20.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 0.598 ΔGbinding -2.554
TOTAL
 -1.956
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.048
Van der Waals -4.032 Backbone clash 0.064
Electrostatics 0.215 Helix dipole 0.000
Solvation Polar 4.686 Water bridges -0.097
Solvation Hyd -5.404 Disulfide 0.000
VdW clashes 0.325 Electrost. Kon 0.249
Entropy sc 0.932 Part.cov.bonds 0.000
Entropy mc

3.574

 ΔGstability

9.136
       

Predicted ligand sequences for model [MYO5_1YP5-20.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).
 
  MYO5_1YP5-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 NIFKHGRHY 0.0
2 NIFFHGRHY 0.01
3 NIPKHGRHY 0.03
4 NIPFHGRHY 0.04
5 NIRKHGRHY 0.07
6 NIRFHGRHY 0.08
7 NIFKRGRHY 0.09
8 NIFKNGRHY 0.09
9 NIFFNGRHY 0.1
10 NIFFRGRHY 0.1
11 NIPKNGRHY 0.11
12 NIPKRGRHY 0.12
13 NIFKHRRHY 0.13
14 NIPFNGRHY 0.13
15 NIPFRGRHY 0.13
16 NRFKHGRHY 0.14
17 NIFFHRRHY 0.15
18 NIRKNGRHY 0.15
19 NIRKRGRHY 0.16
20 NIPKHRRHY 0.16
21 NRFFHGRHY 0.16
22 NIRFNGRHY 0.17
23 NIRFRGRHY 0.17
24 NRPKHGRHY 0.17
25 NRPFHGRHY 0.18
26 NIPFHRRHY 0.18
27 NIRKHRRHY 0.2
28 NRRKHGRHY 0.21
29 NIFKRRRHY 0.22
30 NIRFHRRHY 0.22
31 NIFKNRRHY 0.22
32 NRRFHGRHY 0.23
33 NRFKNGRHY 0.23
34 NIFFNRRHY 0.23
35 NRFKRGRHY 0.23
36 NIFFRRRHY 0.23
37 NRFFNGRHY 0.24
38 NRFFRGRHY 0.24
39 NIPKRRRHY 0.25
40 NIPKNRRHY 0.25
41 NRPKRGRHY 0.26
42 NIPFNRRHY 0.26
43 NIPFRRRHY 0.26
44 NRPKNGRHY 0.26
45 NRPFNGRHY 0.27
46 NRPFRGRHY 0.27
47 NRFKHRRHY 0.28
48 NIRKNRRHY 0.29
49 NRFFHRRHY 0.29
50 NPFKHGRHY 0.29
51 NIRKRRRHY 0.29
52 NPFFHGRHY 0.3
53 NRRKRGRHY 0.3
54 NIRFNRRHY 0.3
55 NIRFRRRHY 0.3
56 NRRKNGRHY 0.3
57 NRRFNGRHY 0.31
58 NRPKHRRHY 0.31
59 NRRFRGRHY 0.31
60 NPPKHGRHY 0.32
61 NRPFHRRHY 0.32
62 NPPFHGRHY 0.33
63 NRRKHRRHY 0.35
64 NPRKHGRHY 0.36
65 NRRFHRRHY 0.36
66 NRFKNRRHY 0.36
67 NPRFHGRHY 0.37
68 NRFKRRRHY 0.37
69 NPFKNGRHY 0.38
70 NRFFNRRHY 0.38
71 NPFKRGRHY 0.38
72 NRFFRRRHY 0.38
73 NPFFNGRHY 0.39
74 NPFFRGRHY 0.39
75 NRPKNRRHY 0.39
76 NRPKRRRHY 0.4
77 NPPKNGRHY 0.4
78 NRPFRRRHY 0.41
79 NPPKRGRHY 0.41
80 NRPFNRRHY 0.41
81 NPFKHRRHY 0.42
82 NPPFNGRHY 0.42
83 NPPFRGRHY 0.42
84 NPFFHRRHY 0.43
85 NRRKRRRHY 0.43
86 NRRKNRRHY 0.43
87 NPRKNGRHY 0.44
88 NIFKHGRSY 0.45
89 NRRFRRRHY 0.45
90 NRRFNRRHY 0.45
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 NIFKNGRHY

2.8

-10.71

-7.91
2 NIRKRGRHY

2.81

-10.62

-7.81
3 NIFKRGRHY

2.68

-10.45

-7.77
4 NIPKRGRHY

2.73

-10.31

-7.58
5 NRPKHGRHY

2.34

-9.85

-7.51
6 NIPKHGRHY

2.81

-10.3

-7.49
7 NIRKNGRHY

2.69

-10.15

-7.46
8 NIPKNGRHY

2.75

-10.02

-7.27
9 NIRKHGRHY

2.93

-9.84

-6.91
10 NRFKHGRHY

2.56

-9.39

-6.83
11 NIFFNGRHY

3.11

-9.85

-6.74
12 NIFKRRRHY

4.17

-10.87

-6.7
13 NIFKHGRHY

2.79

-9.38

-6.59
14 NIPFRGRHY

4.1

-10.61

-6.51
15 NIRKHRRHY

4.13

-10.61

-6.48
16 NIPFHGRHY

2.68

-9.04

-6.36
17 NIPKHRRHY

4.29

-10.63

-6.34
18 NIPFHRRHY

4.51

-10.55

-6.04
19 NIRFRGRHY

3.34

-9.26

-5.92
20 NRRKHGRHY

2.67

-8.57

-5.9
21 NIFKHRRHY

4.17

-9.93

-5.76
22 NIRFHGRHY

4.11

-9.87

-5.76
23 NIPFNGRHY

3.12

-8.57

-5.45
24 NIFFHGRHY

3.07

-8.39

-5.32
25 NIRFHRRHY

5.29

-10.39

-5.1
26 NRFFHGRHY

2.74

-7.74

-5.0
27 NIFFHRRHY

4.42

-9.13

-4.71
28 NIFFRGRHY

3.66

-7.71

-4.05
29 NIRFNGRHY

4.69

-8.5

-3.81
30 NRPFHGRHY

6.58

-7.84

-1.26

 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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