Predicted ligand sequences (modelled structure)


ADAN-name: LSB1_1CKA-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    

(Help)

Intraclash 2.760 ΔGbinding -2.308
TOTAL
 0.452
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.835
Van der Waals -3.959 Backbone clash 0.019
Electrostatics 0.079 Helix dipole 0.000
Solvation Polar 4.083 Water bridges -0.217
Solvation Hyd -5.269 Disulfide 0.000
VdW clashes 0.538 Electrost. Kon 0.068
Entropy sc 0.843 Part.cov.bonds 0.000
Entropy mc

3.240

 ΔGstability

22.506
       

Predicted ligand sequences for model [LSB1_1CKA-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).
 
  LSB1_1CKA-8.PDB  

(data)
# Predicted Sequences Value Calculate
1 RWFWLPPF 0.0
2 RWFPLPPF 0.03
3 RWFFLPPF 0.04
4 HWFWLPPF 0.06
5 RWFWLPRF 0.08
6 KWFWLPPF 0.09
7 HWFPLPPF 0.09
8 RWFPLPRF 0.1
9 HWFFLPPF 0.11
10 RFFWLPPF 0.12
11 KWFPLPPF 0.12
12 RWFFLPRF 0.12
13 KWFFLPPF 0.13
14 HWFWLPRF 0.14
15 RFFPLPPF 0.15
16 RFFFLPPF 0.16
17 KWFWLPRF 0.17
18 HWFPLPRF 0.17
19 HWFFLPRF 0.18
20 RWFWLPPW 0.18
21 HFFWLPPF 0.18
22 KWFPLPRF 0.2
23 RFFWLPRF 0.2
24 KWFFLPRF 0.21
25 RWFPLPPW 0.21
26 HFFPLPPF 0.21
27 KFFWLPPF 0.21
28 RWFFLPPW 0.22
29 RFFPLPRF 0.22
30 HFFFLPPF 0.23
31 RFFFLPRF 0.24
32 KFFPLPPF 0.24
33 HWFWLPPW 0.24
34 KFFFLPPF 0.25
35 RWFWLPGF 0.26
36 RWFWLPRW 0.26
37 HFFWLPRF 0.26
38 HWFPLPPW 0.27
39 KWFWLPPW 0.27
40 RWFPLPRW 0.28
41 RWFPLPGF 0.29
42 KFFWLPRF 0.29
43 HFFPLPRF 0.29
44 HWFFLPPW 0.29
45 HFFFLPRF 0.3
46 RFFWLPPW 0.3
47 KWFPLPPW 0.3
48 RWFFLPRW 0.3
49 RWFFLPGF 0.31
50 KWFFLPPW 0.31
51 KFFPLPRF 0.32
52 HWFWLPRW 0.32
53 RFFPLPPW 0.33
54 HWFWLPGF 0.33
55 KFFFLPRF 0.33
56 RFFFLPPW 0.34
57 KWFWLPRW 0.35
58 HWFPLPGF 0.35
59 KWFWLPGF 0.35
60 HWFPLPRW 0.35
61 HWFFLPRW 0.36
62 HFFWLPPW 0.36
63 HWFFLPGF 0.37
64 KWFPLPRW 0.38
65 RFFWLPRW 0.38
66 RFFWLPGF 0.38
67 KWFPLPGF 0.38
68 KWFFLPRW 0.39
69 HFFPLPPW 0.39
70 KFFWLPPW 0.39
71 KWFFLPGF 0.4
72 RFFPLPRW 0.4
73 HFFFLPPW 0.41
74 RFFPLPGF 0.41
75 RFFFLPRW 0.42
76 KFFPLPPW 0.42
77 RFFFLPGF 0.43
78 KFFFLPPW 0.43
79 RWFWLPGW 0.44
80 HFFWLPRW 0.44
81 HFFWLPGF 0.45
82 KFFWLPGF 0.47
83 RWFPLPGW 0.47
84 HFFPLPGF 0.47
85 KFFWLPRW 0.47
86 HFFPLPRW 0.47
87 HFFFLPRW 0.48
88 KFFPLPRW 0.49
89 RWFFLPGW 0.49
90 HFFFLPGF 0.49
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 HFFPLPPF

5.58

-8.19

-2.61
2 RFFWLPPF

5.13

-7.07

-1.94
3 KWFWLPPF

4.2

-6.06

-1.86
4 RFFPLPPF

4.72

-6.48

-1.76
5 RFFFLPPF

4.98

-6.56

-1.58
6 RWFPLPPF

6.11

-7.15

-1.04
7 RFFPLPRF

6.17

-7.15

-0.98
8 KWFPLPRF

6.33

-7.23

-0.9
9 RWFFLPRF

6.07

-6.93

-0.86
10 RWFPLPPW

6.58

-7.4

-0.82
11 KFFWLPPF

5.87

-6.65

-0.78
12 RFFWLPRF

6.28

-6.99

-0.71
13 HFFFLPPF

5.06

-5.61

-0.55
14 HWFPLPPF

6.08

-6.57

-0.49
15 KWFFLPRF

6.18

-6.63

-0.45
16 RWFPLPRF

6.91

-7.05

-0.14
17 RWFWLPPW

5.86

-5.99

-0.13
18 HFFWLPPF

6.2

-6.29

-0.09
19 RWFWLPPF

6.03

-6.05

-0.02
20 KWFPLPPF

7.03

-7.05

-0.02
21 HWFFLPPF

5.54

-5.37

0.17
22 HWFFLPRF

6.03

-5.83

0.2
23 RWFFLPPF

6.86

-6.57

0.29
24 RWFFLPPW

6.3

-5.9

0.4
25 HWFPLPRF

6.05

-5.6

0.45
26 KWFFLPPF

6.69

-6.18

0.51
27 HWFWLPRF

5.83

-5.26

0.57
28 RWFWLPRF

5.94

-5.34

0.6
29 KWFWLPRF

6.86

-6.01

0.85
30 HWFWLPPF

7.69

-5.82

1.87

 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