Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_1OOT-17.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
G
 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 1.676 ΔGbinding 2.088
TOTAL
 3.764
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.239
Van der Waals -4.041 Backbone clash 0.079
Electrostatics 0.381 Helix dipole 0.000
Solvation Polar 3.891 Water bridges 0.014
Solvation Hyd -5.985 Disulfide 0.000
VdW clashes 2.574 Electrost. Kon 0.420
Entropy sc 0.557 Part.cov.bonds 0.000
Entropy mc

4.037

 ΔGstability

19.944
       

Predicted ligand sequences for model [LSB3_1OOT-17.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_1OOT-17.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPFMMGYRR 0.0
2 RIFMMGYRR 0.0
3 RIFMMGYHR 0.06
4 RPFMMGYHR 0.06
5 RPFMMGRRR 0.1
6 RPYMMGYRR 0.1
7 RIYMMGYRR 0.11
8 RIFMMGRRR 0.11
9 RIFMFGYRR 0.13
10 RPFMFGYRR 0.13
11 RPWMMGYRR 0.14
12 RIWMMGYRR 0.15
13 RPFMMGRHR 0.16
14 RIYMMGYHR 0.16
15 RIFMMGRHR 0.16
16 RPFMMGYRG 0.16
17 RPYMMGYHR 0.16
18 RIFMMGYRG 0.16
19 RPFMFGYHR 0.18
20 RIFMFGYHR 0.19
21 RIWMMGYHR 0.2
22 RPWMMGYHR 0.2
23 RPYMMGRRR 0.21
24 RIYMMGRRR 0.21
25 RIFMMGYHG 0.22
26 RPFMMGYHG 0.22
27 RIFMFGRRR 0.23
28 RPYMFGYRR 0.23
29 RPFMFGRRR 0.23
30 RIYMFGYRR 0.23
31 RIWMMGRRR 0.25
32 RPWMMGRRR 0.25
33 RPFMMGRRG 0.26
34 RPYMMGYRG 0.26
35 RPYMMGRHR 0.26
36 RIYMMGYRG 0.27
37 RPWMFGYRR 0.27
38 RIWMFGYRR 0.27
39 RIYMMGRHR 0.27
40 RIFMMGRRG 0.27
41 RPFMIGYRR 0.28
42 RIFMFGYRG 0.29
43 RIYMFGYHR 0.29
44 RIFMFGRHR 0.29
45 RIFMIGYRR 0.29
46 RPFMFGYRG 0.29
47 RPFMFGRHR 0.29
48 RPYMFGYHR 0.29
49 RPWMMGYRG 0.3
50 RIWMMGRHR 0.3
51 RPWMMGRHR 0.3
52 RPFMMGWRR 0.3
53 RIFMMGWRR 0.3
54 RIWMMGYRG 0.31
55 RPFMMGRHG 0.32
56 RIYMMGYHG 0.32
57 RIFMMGRHG 0.32
58 RPYMMGYHG 0.32
59 RPYMFGRRR 0.33
60 RPWMFGYHR 0.33
61 RIWMFGYHR 0.33
62 RIFMIGYHR 0.34
63 RIYMFGRRR 0.34
64 RPFMFGYHG 0.34
65 RPFMIGYHR 0.34
66 RPFMMGWHR 0.35
67 RIFMFGYHG 0.35
68 RPWMMGYHG 0.36
69 RIFMMGWHR 0.36
70 RIWMMGYHG 0.36
71 RPYMMGRRG 0.37
72 RIYMMGRRG 0.37
73 RPWMFGRRR 0.37
74 RIWMFGRRR 0.38
75 RIFMFGRRG 0.39
76 RPFMIGRRR 0.39
77 RPYMIGYRR 0.39
78 RIYMFGRHR 0.39
79 RPYMFGRHR 0.39
80 RIFMIGRRR 0.39
81 RPYMFGYRG 0.39
82 RPFMFGRRG 0.39
83 RIYMFGYRG 0.39
84 RIYMIGYRR 0.39
85 RPYMMGWRR 0.4
86 RIYMMGWRR 0.4
87 RIWMMGRRG 0.41
88 RPWMMGRRG 0.41
89 RPFMFGWRR 0.42
90 RPYMMGRHG 0.42
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RPWMMGYRR

3.55

-10.67

-7.12
2 RPYMMGRRR

3.17

-10.09

-6.92
3 RPFMMGYRG

1.46

-8.34

-6.88
4 RPFMFGYRR

3.26

-9.8

-6.54
5 RIYMMGRRR

3.33

-9.61

-6.28
6 RIFMFGRRR

3.69

-9.83

-6.14
7 RPFMMGRRR

3.01

-9.1

-6.09
8 RIFMMGYRR

3.45

-9.36

-5.91
9 RPYMFGYRR

2.91

-8.78

-5.87
10 RIFMMGYRG

1.8

-7.6

-5.8
11 RIFMMGRRR

1.93

-7.61

-5.68
12 RIYMFGYRR

3.38

-9.04

-5.66
13 RIWMMGYRR

3.49

-8.97

-5.48
14 RIYMMGYRR

3.37

-8.83

-5.46
15 RIFMFGYRR

3.23

-8.63

-5.4
16 RPYMMGYRR

3.46

-8.51

-5.05
17 RPFMFGRRR

1.86

-6.54

-4.68
18 RPFMMGYHG

2.04

-6.6

-4.56
19 RPFMMGRHR

1.52

-5.9

-4.38
20 RPFMMGYRR

3.42

-7.69

-4.27
21 RIFMMGRHR

3.22

-7.49

-4.27
22 RIFMMGYHG

1.5

-5.73

-4.23
23 RIWMMGYHR

3.8

-7.92

-4.12
24 RPFMMGYHR

3.29

-7.4

-4.11
25 RIYMMGYHR

3.43

-7.47

-4.04
26 RPWMMGYHR

3.24

-6.87

-3.63
27 RIFMFGYHR

3.21

-6.82

-3.61
28 RPYMMGYHR

3.08

-6.51

-3.43
29 RPFMFGYHR

2.78

-5.91

-3.13
30 RIFMMGYHR

3.1

-6.05

-2.95

 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