Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1RUW-7.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala
A
G
 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 3.295 ΔGbinding 2.990
TOTAL
 6.285
Backbone Hb -1.913 Cis_bond 0.000
Sidechain Hb -1.912 Torsional clash 1.012
Van der Waals -3.646 Backbone clash 3.352
Electrostatics 0.081 Helix dipole 0.000
Solvation Polar 5.427 Water bridges 0.000
Solvation Hyd -4.410 Disulfide 0.000
VdW clashes 4.252 Electrost. Kon 0.119
Entropy sc 0.987 Part.cov.bonds 0.000
Entropy mc

2.994

 ΔGstability

9.263
       

Predicted ligand sequences for model [MYO5_1RUW-7.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_1RUW-7.PDB  

(data)
# Predicted Sequences Value Calculate
1 MMPRPPWR 0.0
2 MMPRWPWR 0.04
3 MMPIPPWR 0.05
4 MMPIWPWR 0.1
5 MMDRPPWR 0.14
6 MMPRPPWG 0.17
7 MMDRWPWR 0.18
8 MMDIPPWR 0.19
9 MMPRPPWK 0.19
10 MMPRWPWG 0.22
11 MMPRMPWR 0.23
12 MMPRWPWK 0.23
13 MMPIPPWG 0.23
14 MMDIWPWR 0.23
15 MMPIPPWK 0.24
16 MMPRPEWR 0.26
17 MMPIWPWG 0.27
18 MMHRPPWR 0.28
19 MMPIWPWK 0.28
20 MMPIMPWR 0.28
21 MMPRWEWR 0.3
22 MMPIPEWR 0.31
23 MMDRPPWG 0.31
24 MMDRPPWK 0.32
25 MMHRWPWR 0.32
26 MMHIPPWR 0.33
27 MMPIWEWR 0.35
28 MMDRWPWG 0.35
29 MMPMPPWR 0.36
30 MMDIPPWG 0.36
31 MMDRWPWK 0.36
32 MMDRMPWR 0.36
33 MMHIWPWR 0.37
34 MMPRPMWR 0.38
35 MMDIPPWK 0.38
36 MMDRPEWR 0.39
37 MMPRMPWG 0.4
38 MMPMWPWR 0.4
39 MMPRMPWK 0.41
40 MMDIWPWG 0.41
41 MMDIMPWR 0.42
42 MMPRWMWR 0.42
43 MMDIWPWK 0.42
44 MMDRWEWR 0.43
45 MMPRPEWG 0.43
46 MMPIPMWR 0.43
47 MMDIPEWR 0.44
48 MMPRPEWK 0.44
49 MMHRPPWG 0.45
50 MMPIMPWG 0.46
51 MMHRPPWK 0.47
52 MMPIMPWK 0.47
53 MMPRWEWG 0.47
54 MMPIWMWR 0.47
55 MMPIPEWG 0.48
56 MMPRMEWR 0.48
57 RMPRPPWR 0.48
58 MMDMPPWR 0.49
59 MMPRWEWK 0.49
60 MMDIWEWR 0.49
61 MMPIPEWK 0.5
62 MMHRWPWG 0.5
63 MMHIPPWG 0.51
64 MMHRWPWK 0.51
65 MMDRPMWR 0.51
66 MMHRMPWR 0.51
67 MMHIPPWK 0.52
68 RMPRWPWR 0.52
69 MMPMPPWG 0.53
70 RMPIPPWR 0.53
71 MMPIWEWG 0.53
72 MMHRPEWR 0.53
73 MMPMPPWK 0.54
74 MMPIWEWK 0.54
75 MMDMWPWR 0.54
76 MMPIMEWR 0.54
77 MMDRMPWG 0.54
78 MMHIWPWG 0.55
79 MMPRPMWG 0.55
80 MMDRMPWK 0.55
81 MMHIWPWK 0.56
82 MMDRWMWR 0.56
83 MMHIMPWR 0.56
84 MMPRPMWK 0.57
85 MMDRPEWG 0.57
86 MMPMWPWG 0.57
87 MMDIPMWR 0.57
88 RMPIWPWR 0.57
89 MMHRWEWR 0.58
90 MMPMMPWR 0.58
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 MMPMPPWR

1.71

-6.59

-4.88
2 MMPIPPWR

2.48

-7.04

-4.56
3 MMPIPPWG

2.19

-6.73

-4.54
4 MMPRPPWK

2.82

-7.08

-4.26
5 MMPRPPWG

2.54

-6.77

-4.23
6 MMPIPPWK

2.34

-6.54

-4.2
7 MMDRPPWG

2.41

-6.57

-4.16
8 MMHIPPWR

2.34

-6.36

-4.02
9 MMPIWPWR

2.44

-6.44

-4.0
10 MMPIWPWG

2.14

-6.09

-3.95
11 MMDIPPWG

1.77

-5.49

-3.72
12 MMPRWPWK

2.99

-6.7

-3.71
13 MMDIPPWR

2.46

-6.13

-3.67
14 MMPRPPWR

2.81

-6.42

-3.61
15 MMPIPEWR

3.1

-6.67

-3.57
16 MMPRMPWR

3.03

-6.59

-3.56
17 MMDIWPWR

2.82

-6.32

-3.5
18 MMPRWPWG

2.98

-6.48

-3.5
19 MMPIMPWR

3.07

-6.56

-3.49
20 MMPRPEWR

3.28

-6.75

-3.47
21 MMPRWPWR

3.08

-6.49

-3.41
22 MMDRWPWG

1.86

-5.19

-3.33
23 MMHRPPWR

3.02

-6.25

-3.23
24 MMPIWPWK

2.91

-6.13

-3.22
25 MMPRWEWR

3.27

-6.46

-3.19
26 MMDRPPWK

2.99

-6.17

-3.18
27 MMDRWPWR

3.17

-6.35

-3.18
28 MMDRPPWR

2.64

-5.66

-3.02
29 MMPIWEWR

3.23

-6.07

-2.84
30 MMHRWPWR

2.78

-4.39

-1.61

 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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