Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1RUW-29.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 0.292 ΔGbinding 2.355
TOTAL
 2.647
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.428
Van der Waals -3.864 Backbone clash 0.008
Electrostatics 0.072 Helix dipole 0.000
Solvation Polar 4.093 Water bridges 0.000
Solvation Hyd -5.065 Disulfide 0.000
VdW clashes 3.602 Electrost. Kon 0.090
Entropy sc 0.276 Part.cov.bonds 0.000
Entropy mc

2.721

 ΔGstability

11.733
       

Predicted ligand sequences for model [MYO3_1RUW-29.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_1RUW-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 HRMWRPFWWH 0.0
2 KRMWRPFWWH 0.01
3 HRMPRPFWWH 0.04
4 KRMPRPFWWH 0.05
5 HRLWRPFWWH 0.06
6 KRMWRPFWWR 0.06
7 HRMWRPFWWR 0.06
8 KRLWRPFWWH 0.07
9 DRMWRPFWWH 0.07
10 HRMWRMFWWH 0.08
11 KRMWRMFWWH 0.09
12 HRMPRPFWWR 0.1
13 HRLPRPFWWH 0.1
14 HRMWRRFWWH 0.1
15 KRMWRRFWWH 0.11
16 KRMPRPFWWR 0.11
17 KRLPRPFWWH 0.11
18 DRMPRPFWWH 0.12
19 HRMPRMFWWH 0.12
20 HRLWRPFWWR 0.12
21 KRLWRPFWWR 0.12
22 DRMWRPFWWR 0.13
23 DRLWRPFWWH 0.13
24 KRMPRMFWWH 0.13
25 KRMWRMFWWR 0.14
26 HRLWRMFWWH 0.14
27 HRMWRMFWWR 0.14
28 DRMWRMFWWH 0.15
29 KRLWRMFWWH 0.15
30 KRMPRRFWWH 0.15
31 HRMPRRFWWH 0.15
32 HRLPRPFWWR 0.16
33 HRMWRRFWWR 0.16
34 DRMPRPFWWR 0.17
35 KRLPRPFWWR 0.17
36 HRLWRRFWWH 0.17
37 KRMWRPFRWH 0.17
38 KRMWRRFWWR 0.17
39 KRLWRRFWWH 0.17
40 HRMWRPFRWH 0.17
41 HRMPRMFWWR 0.18
42 DRLPRPFWWH 0.18
43 HRLPRMFWWH 0.18
44 DRMWRRFWWH 0.18
45 KRMPRMFWWR 0.19
46 DRLWRPFWWR 0.19
47 KRLPRMFWWH 0.19
48 HRLWRMFWWR 0.2
49 KRLWRMFWWR 0.2
50 DRMPRMFWWH 0.2
51 HRMPRRFWWR 0.2
52 HRMPRPFRWH 0.21
53 DRMWRMFWWR 0.21
54 DRLWRMFWWH 0.21
55 HRLPRRFWWH 0.21
56 KRMPRRFWWR 0.21
57 KRLPRRFWWH 0.22
58 DRMPRRFWWH 0.22
59 HRLWRRFWWR 0.22
60 HRMWRPFRWR 0.22
61 KRMPRPFRWH 0.22
62 DRLPRPFWWR 0.23
63 KRLWRRFWWR 0.23
64 KRMWRPFRWR 0.23
65 DRMWRRFWWR 0.23
66 HRLWRPFRWH 0.23
67 KRLWRPFRWH 0.24
68 HRLPRMFWWR 0.24
69 DRMWRPFRWH 0.24
70 DRLWRRFWWH 0.24
71 DRMPRMFWWR 0.25
72 HRMWRMFRWH 0.25
73 KRLPRMFWWR 0.25
74 KRMWRMFRWH 0.25
75 DRLPRMFWWH 0.26
76 HRMFRPFWWH 0.26
77 HRMPRPFRWR 0.27
78 KRMFRPFWWH 0.27
79 DRLWRMFWWR 0.27
80 HRLPRRFWWR 0.27
81 KRMPRPFRWR 0.27
82 HRMWRPFWWK 0.27
83 HRLPRPFRWH 0.27
84 HRMWRRFRWH 0.27
85 KRLPRRFWWR 0.27
86 KRLPRPFRWH 0.28
87 KRMWRPFWWK 0.28
88 DRMPRRFWWR 0.28
89 DRLPRRFWWH 0.28
90 DRMPRPFRWH 0.28
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 HRMPRPFWWR

2.92

-9.69

-6.77
2 KRMWRRFWWH

2.35

-8.96

-6.61
3 KRMWRPFWWH

1.73

-7.96

-6.23
4 KRMWRMFWWH

3.09

-8.9

-5.81
5 HRLWRMFWWH

3.03

-8.47

-5.44
6 HRMWRRFWWH

1.58

-6.89

-5.31
7 HRMWRMFWWR

1.39

-6.62

-5.23
8 KRLPRPFWWH

2.41

-7.59

-5.18
9 KRMPRRFWWH

1.46

-6.64

-5.18
10 KRMPRPFWWH

2.73

-7.86

-5.13
11 KRMPRPFWWR

3.05

-8.08

-5.03
12 KRLWRPFWWH

2.43

-7.45

-5.02
13 HRMPRPFWWH

1.55

-6.5

-4.95
14 KRMPRMFWWH

1.57

-6.51

-4.94
15 KRLWRPFWWR

2.3

-7.22

-4.92
16 HRMPRMFWWH

2.41

-7.29

-4.88
17 HRMWRPFWWR

2.5

-7.36

-4.86
18 DRMPRPFWWH

2.03

-6.89

-4.86
19 KRMWRMFWWR

2.26

-7.09

-4.83
20 KRMWRPFWWR

2.04

-6.76

-4.72
21 HRMWRMFWWH

3.51

-8.07

-4.56
22 KRLWRMFWWH

2.21

-6.76

-4.55
23 HRMWRPFWWH

2.46

-6.98

-4.52
24 DRMWRPFWWR

1.89

-6.26

-4.37
25 HRLPRPFWWH

1.65

-6.01

-4.36
26 HRLWRPFWWH

1.6

-5.95

-4.35
27 DRMWRPFWWH

1.53

-5.74

-4.21
28 DRMWRMFWWH

2.36

-6.3

-3.94
29 HRLWRPFWWR

2.21

-5.53

-3.32
30 DRLWRPFWWH

2.5

-5.68

-3.18

 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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