Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_2A08-14.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    

(Help)

Intraclash 0.500 ΔGbinding -1.561
TOTAL
 -1.061
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.151
Van der Waals -3.742 Backbone clash 0.101
Electrostatics 0.390 Helix dipole 0.000
Solvation Polar 4.087 Water bridges -0.142
Solvation Hyd -5.412 Disulfide 0.000
VdW clashes 0.027 Electrost. Kon 0.477
Entropy sc 0.720 Part.cov.bonds 0.000
Entropy mc

4.434

 ΔGstability

10.366
       

Predicted ligand sequences for model [LSB3_2A08-14.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).
 
  LSB3_2A08-14.PDB  

(data)
# Predicted Sequences Value Calculate
1 RWPRRRKHR 0.0
2 RWFRRRKHR 0.01
3 RWYRRRKHR 0.05
4 RWWRRRKHR 0.09
5 RWPRRRWHR 0.09
6 RWFRRRWHR 0.1
7 RWPRRRIHR 0.1
8 RWPKRRKHR 0.11
9 RWFRRRIHR 0.11
10 RWPRRRLHR 0.11
11 RWFRRRLHR 0.12
12 RWFKRRKHR 0.13
13 RWYRRRWHR 0.14
14 RWYRRRIHR 0.15
15 RWYKRRKHR 0.16
16 RWYRRRLHR 0.16
17 RWWRRRWHR 0.18
18 RWPMRRKHR 0.18
19 RWWRRRIHR 0.19
20 RWFMRRKHR 0.19
21 RWWKRRKHR 0.2
22 RWPKRRWHR 0.2
23 RWWRRRLHR 0.2
24 RWFKRRWHR 0.21
25 RWPKRRIHR 0.21
26 RWPKRRLHR 0.22
27 RWFKRRIHR 0.23
28 RWYMRRKHR 0.23
29 RWFKRRLHR 0.24
30 RWYKRRWHR 0.25
31 RWYKRRLHR 0.27
32 RWWMRRKHR 0.27
33 RWPMRRWHR 0.27
34 RWYKRRIHR 0.27
35 RWFMRRWHR 0.28
36 RWPMRRIHR 0.28
37 RWPMRRLHR 0.29
38 RWWKRRWHR 0.29
39 RWFMRRIHR 0.29
40 RWWKRRIHR 0.3
41 RWFMRRLHR 0.3
42 RWWKRRLHR 0.31
43 RWYMRRWHR 0.32
44 RWYMRRIHR 0.33
45 RWYMRRLHR 0.34
46 RWWMRRWHR 0.36
47 RWWMRRIHR 0.37
48 RWWMRRLHR 0.38
49 RFPRRRKHR 0.38
50 RFFRRRKHR 0.39
51 RFYRRRKHR 0.43
52 RFWRRRKHR 0.47
53 RFPRRRWHR 0.47
54 RFPRRRIHR 0.48
55 RFFRRRWHR 0.48
56 RFPRRRLHR 0.49
57 RFFRRRIHR 0.49
58 RFPKRRKHR 0.49
59 RFFRRRLHR 0.5
60 RFFKRRKHR 0.51
61 RFYRRRWHR 0.52
62 RFYRRRIHR 0.53
63 RFYKRRKHR 0.54
64 RFYRRRLHR 0.54
65 RFPMRRKHR 0.56
66 RFWRRRWHR 0.56
67 RFWRRRIHR 0.57
68 RFFMRRKHR 0.57
69 RFWRRRLHR 0.58
70 RFPKRRWHR 0.58
71 RFWKRRKHR 0.58
72 RFPKRRIHR 0.59
73 RFFKRRWHR 0.59
74 RFPKRRLHR 0.6
75 RFYMRRKHR 0.61
76 RFFKRRIHR 0.61
77 RFFKRRLHR 0.61
78 RFYKRRWHR 0.63
79 RFYKRRIHR 0.64
80 RFYKRRLHR 0.65
81 RFWMRRKHR 0.65
82 RFPMRRWHR 0.65
83 RFFMRRWHR 0.66
84 RFPMRRIHR 0.66
85 RFFMRRIHR 0.67
86 RFWKRRWHR 0.67
87 RFPMRRLHR 0.67
88 RFWKRRIHR 0.68
89 RFFMRRLHR 0.68
90 RFWKRRLHR 0.69
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RWFRRRIHR

3.21

-12.36

-9.15
2 RWFRRRWHR

2.77

-11.86

-9.09
3 RWPRRRKHR

2.33

-11.07

-8.74
4 RWYRRRKHR

4.57

-13.2

-8.63
5 RWWRRRIHR

3.5

-12.03

-8.53
6 RWWRRRLHR

3.37

-11.89

-8.52
7 RWYMRRKHR

2.42

-10.92

-8.5
8 RWFKRRWHR

2.76

-11.02

-8.26
9 RWYRRRWHR

1.9

-10.08

-8.18
10 RWWRRRKHR

3.62

-11.66

-8.04
11 RWYKRRKHR

2.65

-10.5

-7.85
12 RWWRRRWHR

2.1

-9.79

-7.69
13 RWFKRRLHR

2.97

-10.27

-7.3
14 RWWKRRKHR

3.3

-10.56

-7.26
15 RWPRRRWHR

5.05

-12.18

-7.13
16 RWPMRRKHR

4.87

-11.98

-7.11
17 RWFRRRLHR

5.12

-12.14

-7.02
18 RWPKRRKHR

3.2

-10.16

-6.96
19 RWYRRRLHR

2.64

-9.58

-6.94
20 RWFMRRKHR

3.26

-10.16

-6.9
21 RWPRRRLHR

3.68

-10.47

-6.79
22 RWPRRRIHR

4.69

-11.36

-6.67
23 RWFRRRKHR

3.37

-10.01

-6.64
24 RWPKRRWHR

5.05

-11.43

-6.38
25 RWYRRRIHR

4.4

-10.65

-6.25
26 RWPKRRLHR

3.92

-10.09

-6.17
27 RWYKRRWHR

3.88

-9.98

-6.1
28 RWFKRRIHR

3.99

-10.05

-6.06
29 RWFKRRKHR

3.61

-9.62

-6.01
30 RWPKRRIHR

4.08

-9.68

-5.6

 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