Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1RUW-8.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
 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 2.345 ΔGbinding 8.649
TOTAL
 10.994
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 1.096
Van der Waals -4.384 Backbone clash 2.822
Electrostatics 0.128 Helix dipole 0.000
Solvation Polar 5.171 Water bridges -0.000
Solvation Hyd -5.518 Disulfide 0.000
VdW clashes 9.629 Electrost. Kon 0.153
Entropy sc 0.538 Part.cov.bonds 0.000
Entropy mc

3.110

 ΔGstability

19.888
       

Predicted ligand sequences for model [MYO3_1RUW-8.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-8.PDB  

(data)
# Predicted Sequences Value Calculate
1 RMFPRMEW 0.0
2 RMFPRMDW 0.01
3 RMLPRMEW 0.03
4 RMLPRMDW 0.03
5 RMMPRMEW 0.05
6 RMMPRMDW 0.05
7 KMFPRMEW 0.07
8 KMFPRMDW 0.07
9 HMFPRMEW 0.09
10 KMLPRMEW 0.09
11 KMLPRMDW 0.1
12 HMFPRMDW 0.1
13 KMMPRMDW 0.12
14 KMMPRMEW 0.12
15 HMLPRMDW 0.12
16 HMLPRMEW 0.12
17 RMFFRMDW 0.13
18 RMFFRMEW 0.13
19 RMFPRMPW 0.13
20 HMMPRMEW 0.14
21 RMLFRMEW 0.15
22 HMMPRMDW 0.15
23 RMLPRMPW 0.15
24 RMLFRMDW 0.16
25 RMMFRMEW 0.18
26 RMMFRMDW 0.18
27 RMMPRMPW 0.18
28 KMFPRMPW 0.19
29 KMFFRMDW 0.2
30 KMFFRMEW 0.2
31 RMFPRFEW 0.21
32 RMFPRFDW 0.21
33 KMLFRMEW 0.22
34 RMFYRMEW 0.22
35 RMFYRMDW 0.22
36 HMFFRMEW 0.22
37 HMFPRMPW 0.22
38 KMLPRMPW 0.22
39 KMLFRMDW 0.23
40 HMFFRMDW 0.23
41 RMLPRFEW 0.24
42 RMLPRFDW 0.24
43 RMLYRMEW 0.24
44 KMMPRMPW 0.24
45 HMLPRMPW 0.24
46 KMMFRMEW 0.24
47 RMLYRMDW 0.25
48 HMLFRMDW 0.25
49 HMLFRMEW 0.25
50 KMMFRMDW 0.25
51 RMMPRFDW 0.26
52 RMMPRFEW 0.26
53 RMFFRMPW 0.26
54 HMMPRMPW 0.27
55 RMMYRMDW 0.27
56 RMMYRMEW 0.27
57 HMMFRMDW 0.27
58 HMMFRMEW 0.27
59 KMFYRMEW 0.28
60 RMLFRMPW 0.28
61 KMFPRFDW 0.28
62 KMFPRFEW 0.28
63 RMFPRLEW 0.29
64 KMFYRMDW 0.29
65 KMLPRFEW 0.3
66 RMFPRLDW 0.3
67 RMMFRMPW 0.3
68 HMFPRFEW 0.3
69 HMFPRFDW 0.31
70 KMLYRMEW 0.31
71 HMFYRMEW 0.31
72 HMFYRMDW 0.31
73 KMLPRFDW 0.31
74 KMLYRMDW 0.32
75 KMFFRMPW 0.32
76 RMLPRLEW 0.32
77 RMLPRLDW 0.32
78 HMLPRFEW 0.33
79 HMLYRMEW 0.33
80 KMMPRFEW 0.33
81 KMMPRFDW 0.33
82 HMLPRFDW 0.33
83 KMMYRMEW 0.33
84 RRFPRMEW 0.33
85 RMFPLMDW 0.33
86 RMFPLMEW 0.33
87 RMMPRLDW 0.34
88 RMMPRLEW 0.34
89 HMLYRMDW 0.34
90 RMFYRMPW 0.34
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RMMPRMEW

3.2

-4.56

-1.36
2 HMFPRMEW

2.57

-3.32

-0.75
3 RMLFRMDW

2.67

-3.38

-0.71
4 HMFPRMDW

2.75

-3.45

-0.7
5 RMLPRMDW

2.69

-3.34

-0.65
6 HMMPRMDW

3.45

-4.09

-0.64
7 RMFFRMDW

2.7

-3.25

-0.55
8 RMFPRMDW

2.66

-3.19

-0.53
9 RMLPRMEW

2.9

-3.42

-0.52
10 RMFFRMEW

2.41

-2.92

-0.51
11 RMMFRMDW

2.79

-3.24

-0.45
12 KMLPRMEW

4.04

-4.46

-0.42
13 KMFPRMPW

2.66

-3.05

-0.39
14 KMMPRMEW

2.83

-3.17

-0.34
15 KMMPRMDW

2.91

-3.23

-0.32
16 RMMPRMDW

3.29

-3.47

-0.18
17 RMMFRMEW

3.2

-3.33

-0.13
18 HMLPRMEW

2.9

-2.92

-0.02
19 RMLPRMPW

2.97

-2.99

-0.02
20 RMFPRMEW

2.52

-2.45

0.07
21 HMMPRMEW

4.54

-4.37

0.17
22 KMFFRMDW

3.03

-2.78

0.25
23 RMMPRMPW

2.7

-2.14

0.56
24 KMFFRMEW

3.44

-2.82

0.62
25 RMLFRMEW

2.98

-2.23

0.75
26 KMLPRMDW

3.61

-2.84

0.77
27 RMFPRMPW

3.31

-2.19

1.12
28 HMLPRMDW

3.69

-2.45

1.24
29 KMFPRMEW

3.33

-1.77

1.56
30 KMFPRMDW

5.04

-3.24

1.8

 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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