Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1ZUY-14.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 1.725 ΔGbinding 8.381
TOTAL
 10.106
Backbone Hb -2.162 Cis_bond 0.000
Sidechain Hb -2.163 Torsional clash 0.727
Van der Waals -4.231 Backbone clash 1.104
Electrostatics 0.217 Helix dipole 0.000
Solvation Polar 5.236 Water bridges -0.012
Solvation Hyd -5.589 Disulfide 0.000
VdW clashes 11.107 Electrost. Kon 0.288
Entropy sc 0.948 Part.cov.bonds 0.000
Entropy mc

4.015

 ΔGstability

18.184
       

Predicted ligand sequences for model [MYO5_1ZUY-14.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_1ZUY-14.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPPRIYEGK 0.0
2 RPFRIYEGK 0.01
3 RPYRIYEGK 0.09
4 RPPRIYLGK 0.12
5 RPFRIYLGK 0.13
6 RPPRIYRGK 0.16
7 RPPRIREGK 0.17
8 RPPRVYEGK 0.17
9 RPFRIYRGK 0.17
10 RPPIIYEGK 0.17
11 RPFRIREGK 0.18
12 RPPRFYEGK 0.18
13 RPFIIYEGK 0.18
14 RPFRVYEGK 0.19
15 RPYRIYLGK 0.2
16 RPFRFYEGK 0.2
17 RPYRIYRGK 0.24
18 RPYRIREGK 0.25
19 RPYRVYEGK 0.26
20 RPYIIYEGK 0.26
21 RPPMIYEGK 0.27
22 RPYRFYEGK 0.27
23 RPFMIYEGK 0.28
24 RPPRVYLGK 0.29
25 RPPRIRLGK 0.29
26 RPPIIYLGK 0.29
27 RPPRFYLGK 0.3
28 RPFRIRLGK 0.3
29 RPFIIYLGK 0.3
30 RPFRFYLGK 0.31
31 RPFRVYLGK 0.31
32 RPPRIRRGK 0.32
33 RPPIIYRGK 0.33
34 RPPRVYRGK 0.33
35 RPFIIYRGK 0.34
36 RPFRVYRGK 0.34
37 RPPRFYRGK 0.34
38 RPPIIREGK 0.34
39 RPPRVREGK 0.34
40 RPPIVYEGK 0.34
41 RPFRIRRGK 0.34
42 RPPRFREGK 0.35
43 RPPIFYEGK 0.35
44 RPFIIREGK 0.35
45 RPYMIYEGK 0.35
46 RPFRFYRGK 0.35
47 RPFRVREGK 0.35
48 RPFIVYEGK 0.36
49 RPFRFREGK 0.36
50 RPFIFYEGK 0.36
51 RPYRIRLGK 0.37
52 RPYRVYLGK 0.38
53 RPYIIYLGK 0.38
54 RPYRFYLGK 0.39
55 RPPMIYLGK 0.39
56 RPFMIYLGK 0.4
57 RPYRIRRGK 0.41
58 RPYIIYRGK 0.41
59 RPPMIYRGK 0.42
60 RPYIIREGK 0.42
61 RPYRFYRGK 0.42
62 RPYRVYRGK 0.42
63 RPPMIREGK 0.43
64 RPYIVYEGK 0.43
65 RPYRVREGK 0.43
66 RPYRFREGK 0.43
67 RPFMIYRGK 0.44
68 RPYIFYEGK 0.44
69 RPPMVYEGK 0.44
70 RPFMIREGK 0.45
71 RPPMFYEGK 0.45
72 RPFMVYEGK 0.45
73 RPPIIRLGK 0.46
74 RPPRVRLGK 0.46
75 RPFMFYEGK 0.46
76 RPPIVYLGK 0.46
77 RPPRFRLGK 0.47
78 RPFRVRLGK 0.47
79 RPPIFYLGK 0.47
80 RPYMIYLGK 0.47
81 RPFIIRLGK 0.47
82 RPFRFRLGK 0.48
83 RPFIFYLGK 0.48
84 RPFIVYLGK 0.48
85 RPPIIRRGK 0.49
86 RPPIVYRGK 0.5
87 RPPRFRRGK 0.5
88 RPPRVRRGK 0.5
89 RPFRVRRGK 0.51
90 RPPIFYRGK 0.51
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPPMIYEGK

1.91

-3.96

-2.05
2 RPPRIRLGK

2.2

-3.9

-1.7
3 RPPRIREGK

2.58

-4.09

-1.51
4 RPPRIYLGK

2.04

-3.15

-1.11
5 RPPRIYRGK

2.03

-3.01

-0.98
6 RPFRIRLGK

2.8

-3.61

-0.81
7 RPPIIYLGK

2.87

-3.56

-0.69
8 RPFMIYEGK

2.89

-3.57

-0.68
9 RPPRIYEGK

2.27

-2.9

-0.63
10 RPPRVYEGK

2.9

-3.5

-0.6
11 RPFRFYLGK

2.33

-2.79

-0.46
12 RPYRFYEGK

2.58

-3.04

-0.46
13 RPYRIYEGK

2.63

-2.93

-0.3
14 RPFRFYEGK

2.43

-2.69

-0.26
15 RPFIIYLGK

2.82

-2.99

-0.17
16 RPPIIYEGK

2.49

-2.62

-0.13
17 RPFIIYEGK

2.82

-2.85

-0.03
18 RPPRFYEGK

3.5

-3.46

0.04
19 RPFRIREGK

2.94

-2.81

0.13
20 RPYRIREGK

2.79

-2.5

0.29
21 RPFRIYEGK

2.96

-2.63

0.33
22 RPYRVYEGK

2.89

-2.5

0.39
23 RPFRVYEGK

2.8

-2.39

0.41
24 RPYIIYEGK

2.01

-1.58

0.43
25 RPYRIYRGK

2.99

-2.48

0.51
26 RPPRFYLGK

2.18

-1.38

0.8
27 RPFRIYRGK

2.91

-2.01

0.9
28 RPPRVYLGK

3.06

-2.1

0.96
29 RPFRIYLGK

3.11

-1.68

1.43
30 RPYRIYLGK

2.75

-0.87

1.88

 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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