Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1YP5-26.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
 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 0.204 ΔGbinding -0.707
TOTAL
 -0.503
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.339
Van der Waals -3.405 Backbone clash 0.009
Electrostatics 0.221 Helix dipole 0.000
Solvation Polar 4.268 Water bridges 0.000
Solvation Hyd -4.335 Disulfide 0.000
VdW clashes 0.004 Electrost. Kon 0.287
Entropy sc 0.411 Part.cov.bonds 0.000
Entropy mc

2.778

 ΔGstability

8.868
       

Predicted ligand sequences for model [MYO3_1YP5-26.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_1YP5-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 DRRKRMPPW 0.0
2 DDRKRMPPW 0.01
3 DRRKKMPPW 0.04
4 DRRKRRPPW 0.04
5 DRRPRMPPW 0.05
6 DDRKRRPPW 0.05
7 DDRKKMPPW 0.06
8 DDRPRMPPW 0.06
9 DRRKKRPPW 0.08
10 DRRPRRPPW 0.09
11 DRRPKMPPW 0.09
12 DDRPRRPPW 0.1
13 DDRPKMPPW 0.1
14 DDRKKRPPW 0.1
15 DRRKHMPPW 0.12
16 DDRKHMPPW 0.13
17 DRRPKRPPW 0.13
18 DDRPKRPPW 0.14
19 DRRKHRPPW 0.16
20 DDRKHRPPW 0.17
21 DRRPHMPPW 0.17
22 DDRPHMPPW 0.18
23 DRRPHRPPW 0.21
24 DRRKRMPRW 0.21
25 DRRKRMPEW 0.21
26 DDRPHRPPW 0.22
27 DDRKRMPRW 0.23
28 DDRKRMPEW 0.23
29 DRRKRRPEW 0.25
30 DRRKRRPRW 0.25
31 DRRPRMPEW 0.26
32 DRRPRMPRW 0.26
33 DRRKKMPEW 0.26
34 DDRKRRPRW 0.26
35 DRRKKMPRW 0.26
36 DERKRMPPW 0.26
37 DDRKRRPEW 0.27
38 DDRPRMPRW 0.27
39 DDRKKMPEW 0.27
40 DDRKKMPRW 0.27
41 DDRPRMPEW 0.28
42 DRRKKRPEW 0.29
43 DERKRRPPW 0.29
44 DRRKKRPRW 0.29
45 DRRPKMPRW 0.3
46 DRRPKMPEW 0.3
47 DRRPRRPRW 0.3
48 DERPRMPPW 0.3
49 DRRPRRPEW 0.3
50 DERKKMPPW 0.3
51 DDRPRRPEW 0.31
52 DDRKKRPRW 0.31
53 DDRKKRPEW 0.31
54 DDRPRRPRW 0.31
55 DDRPKMPRW 0.32
56 DDRPKMPEW 0.32
57 DRRKHMPRW 0.33
58 DRRKHMPEW 0.33
59 DDRKHMPEW 0.34
60 DERPRRPPW 0.34
61 DERKKRPPW 0.34
62 DRRKRKPPW 0.34
63 DDRKHMPRW 0.34
64 DRRPKRPEW 0.34
65 DRRPKRPRW 0.34
66 DERPKMPPW 0.35
67 DDRPKRPRW 0.36
68 DDRKRKPPW 0.36
69 SRRKRMPPW 0.36
70 DDRPKRPEW 0.36
71 DRRKHRPRW 0.37
72 DERKHMPPW 0.37
73 SDRKRMPPW 0.37
74 DRRKHRPEW 0.37
75 DDRKHRPRW 0.38
76 KRRKRMPPW 0.38
77 DRRPHMPRW 0.38
78 DDRKHRPEW 0.38
79 DRRPHMPEW 0.38
80 DRRPRKPPW 0.39
81 DDRPHMPEW 0.39
82 DRRKKKPPW 0.39
83 DERPKRPPW 0.39
84 DDRPHMPRW 0.39
85 KDRKRMPPW 0.39
86 DDRKKKPPW 0.4
87 SRRKRRPPW 0.4
88 SRRKKMPPW 0.4
89 SDRKRRPPW 0.41
90 DDRPRKPPW 0.41
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 DRRPKRPPW

1.3

-10.32

-9.02
2 DRRKRRPEW

0.89

-9.45

-8.56
3 DDRPRRPPW

1.09

-9.42

-8.33
4 DDRPHRPPW

1.15

-9.39

-8.24
5 DRRPRRPPW

0.99

-9.09

-8.1
6 DRRKKRPPW

1.02

-8.85

-7.83
7 DDRPKRPPW

0.9

-8.47

-7.57
8 DDRPHMPPW

0.81

-8.36

-7.55
9 DRRKRMPEW

0.84

-8.33

-7.49
10 DRRKHRPPW

1.12

-8.49

-7.37
11 DDRPKMPPW

0.72

-8.06

-7.34
12 DDRKRMPEW

0.84

-8.12

-7.28
13 DRRPRMPPW

1.03

-8.28

-7.25
14 DDRPRMPPW

0.95

-8.2

-7.25
15 DRRPHMPPW

0.76

-7.83

-7.07
16 DDRKRRPPW

1.02

-8.06

-7.04
17 DRRPKMPPW

0.84

-7.82

-6.98
18 DDRKHRPPW

1.22

-8.16

-6.94
19 DRRKHMPPW

0.92

-7.42

-6.5
20 DRRKRRPRW

0.97

-7.43

-6.46
21 DRRKRMPPW

0.94

-7.26

-6.32
22 DRRKRMPRW

1.13

-7.4

-6.27
23 DDRKKMPPW

0.81

-7.05

-6.24
24 DDRKHMPPW

0.96

-7.13

-6.17
25 DRRPHRPPW

0.91

-6.92

-6.01
26 DDRKRMPPW

0.86

-6.83

-5.97
27 DRRKKMPPW

1.1

-7.0

-5.9
28 DRRKRRPPW

1.09

-6.71

-5.62
29 DDRKKRPPW

0.93

-6.52

-5.59
30 DDRKRMPRW

0.94

-6.37

-5.43

 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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