Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1RUW-10.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    

(Help)

Intraclash 3.429 ΔGbinding 2.163
TOTAL
 5.592
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.950
Van der Waals -4.162 Backbone clash 2.607
Electrostatics 0.102 Helix dipole 0.000
Solvation Polar 4.586 Water bridges 0.000
Solvation Hyd -5.406 Disulfide 0.000
VdW clashes 4.269 Electrost. Kon 0.117
Entropy sc 0.384 Part.cov.bonds 0.000
Entropy mc

2.598

 ΔGstability

13.695
       

Predicted ligand sequences for model [MYO3_1RUW-10.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-10.PDB  

(data)
# Predicted Sequences Value Calculate
1 MRRVGWWR 0.0
2 FRRVGWWR 0.03
3 RRRVGWWR 0.05
4 MRWVGWWR 0.06
5 MRRPGWWR 0.08
6 MRFVGWWR 0.08
7 FRWVGWWR 0.09
8 RRWVGWWR 0.11
9 FRRPGWWR 0.12
10 FRFVGWWR 0.12
11 RRRPGWWR 0.14
12 MRWPGWWR 0.14
13 RRFVGWWR 0.14
14 MRRVGWMR 0.15
15 MRFPGWWR 0.16
16 FRWPGWWR 0.17
17 FRRVGWMR 0.18
18 MRRVGWHR 0.18
19 RRWPGWWR 0.19
20 MRWVGWMR 0.2
21 FRFPGWWR 0.2
22 RRRVGWMR 0.2
23 FRRVGWHR 0.21
24 RRFPGWWR 0.22
25 MRRVGIWR 0.22
26 MRWVGWHR 0.23
27 RRRVGWHR 0.23
28 MRFVGWMR 0.23
29 MRRPGWMR 0.23
30 FRWVGWMR 0.24
31 FRRPGWMR 0.26
32 MRRPGWHR 0.26
33 FRFVGWMR 0.26
34 FRRVGIWR 0.26
35 MRRRGWWR 0.26
36 MRFVGWHR 0.26
37 RRWVGWMR 0.26
38 FRWVGWHR 0.27
39 MRWPGWMR 0.28
40 RRRPGWMR 0.28
41 RRRVGIWR 0.28
42 RRFVGWMR 0.28
43 MRWVGIWR 0.28
44 FRRRGWWR 0.29
45 FRFVGWHR 0.29
46 RRWVGWHR 0.29
47 MRFVGIWR 0.3
48 FRRPGWHR 0.3
49 FRWVGIWR 0.31
50 MRRPGIWR 0.31
51 RRRRGWWR 0.31
52 MRFPGWMR 0.31
53 RRRPGWHR 0.32
54 MRWRGWWR 0.32
55 RRFVGWHR 0.32
56 FRWPGWMR 0.32
57 MRWPGWHR 0.32
58 RRWVGIWR 0.33
59 RRWPGWMR 0.34
60 MRFPGWHR 0.34
61 FRFPGWMR 0.34
62 FRFVGIWR 0.34
63 MRFRGWWR 0.34
64 FRRPGIWR 0.34
65 FRWRGWWR 0.35
66 FRWPGWHR 0.35
67 RRRPGIWR 0.36
68 RRFVGIWR 0.36
69 RRFPGWMR 0.36
70 MRWPGIWR 0.36
71 MRRVGFWR 0.36
72 RRWRGWWR 0.37
73 RRWPGWHR 0.37
74 MRRVGIMR 0.37
75 FRFRGWWR 0.38
76 FRFPGWHR 0.38
77 MLRVGWWR 0.38
78 MRFPGIWR 0.39
79 RRFRGWWR 0.4
80 MRRVGIHR 0.4
81 FRWPGIWR 0.4
82 FRRVGFWR 0.4
83 RRFPGWHR 0.4
84 MRRRGWMR 0.41
85 FRRVGIMR 0.41
86 FLRVGWWR 0.41
87 RRWPGIWR 0.42
88 MRWVGFWR 0.42
89 FRFPGIWR 0.42
90 RRRVGFWR 0.42
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 MRFVGWMR

2.07

-4.56

-2.49
2 MRRVGWMR

1.34

-3.52

-2.18
3 MRRVGWWR

1.54

-3.23

-1.69
4 MRWVGWMR

1.78

-3.46

-1.68
5 MRRVGWHR

1.13

-2.41

-1.28
6 MRRPGWWR

1.23

-2.47

-1.24
7 MRWVGWWR

1.75

-2.95

-1.2
8 RRRVGWMR

3.58

-4.57

-0.99
9 MRFPGWWR

1.3

-2.29

-0.99
10 FRWVGWMR

3.28

-4.26

-0.98
11 MRWPGWWR

1.38

-2.19

-0.81
12 RRFVGWWR

3.59

-4.35

-0.76
13 RRWVGWWR

3.28

-4.03

-0.75
14 RRRVGWWR

3.71

-4.45

-0.74
15 MRWVGWHR

1.73

-2.42

-0.69
16 FRRVGWWR

2.73

-3.38

-0.65
17 RRRPGWWR

3.18

-3.69

-0.51
18 MRRPGWMR

1.95

-2.44

-0.49
19 FRFVGWWR

3.46

-3.91

-0.45
20 FRRVGWMR

4.46

-4.9

-0.44
21 MRFVGWWR

3.65

-3.96

-0.31
22 RRFPGWWR

3.58

-3.85

-0.27
23 FRWVGWWR

3.92

-4.03

-0.11
24 MRRVGIWR

4.15

-4.23

-0.08
25 FRRVGWHR

3.32

-3.28

0.04
26 FRRPGWWR

4.22

-4.14

0.08
27 RRWPGWWR

3.47

-3.34

0.13
28 FRFPGWWR

3.33

-3.17

0.16
29 RRRVGWHR

2.9

-2.62

0.28
30 FRWPGWWR

3.85

-3.22

0.63

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER