Predicted ligand sequences (modelled structure)


ADAN-name: LSB1_1CKA-28.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 10
poly-Ala
A
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    

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Intraclash 4.657 ΔGbinding 0.362
TOTAL
 5.019
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.372
Van der Waals -4.726 Backbone clash 0.115
Electrostatics 0.075 Helix dipole 0.000
Solvation Polar 5.251 Water bridges -0.029
Solvation Hyd -6.879 Disulfide 0.000
VdW clashes 3.460 Electrost. Kon 0.031
Entropy sc 1.083 Part.cov.bonds 0.000
Entropy mc

4.273

 ΔGstability

29.472
       

Predicted ligand sequences for model [LSB1_1CKA-28.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-28.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPPMYHMPFY 0.0
2 RPHMYHMPFY 0.01
3 RPPMYPMPFY 0.03
4 RPHMYPMPFY 0.04
5 RPPMYHMPFM 0.04
6 RPPMYHMKFY 0.04
7 RPHMYHMKFY 0.05
8 RPRMYHMPFY 0.05
9 RPHMYHMPFM 0.05
10 RDPMYHMPFY 0.05
11 RPPMYPMPFM 0.06
12 RDHMYHMPFY 0.06
13 RPPMYRMPFY 0.06
14 RPPMYPMKFY 0.07
15 RPHMYPMPFM 0.07
16 RPHMYRMPFY 0.07
17 RPRMYPMPFY 0.08
18 RDPMYPMPFY 0.08
19 RPHMYPMKFY 0.08
20 RPPMYHMKFM 0.08
21 RPPMYHMRFY 0.09
22 RPHMYHMKFM 0.09
23 RDHMYPMPFY 0.09
24 RPRMYHMKFY 0.09
25 RPRMYHMPFM 0.09
26 RDPMYHMPFM 0.09
27 RDPMYHMKFY 0.09
28 RDHMYHMPFM 0.1
29 RPHMYHMRFY 0.1
30 RDHMYHMKFY 0.1
31 RDRMYHMPFY 0.1
32 RPPMYRMKFY 0.1
33 RPPMYHMPFI 0.1
34 RPPMYRMPFM 0.1
35 RPPMYPMKFM 0.1
36 RPPMYPMRFY 0.11
37 RPHMYRMKFY 0.11
38 RPHMYRMPFM 0.11
39 RDPMYRMPFY 0.11
40 RPRMYRMPFY 0.11
41 RPHMYHMPFI 0.11
42 RPHMYPMKFM 0.11
43 RPPMYHMRFM 0.12
44 RPRMYPMPFM 0.12
45 RPRMYPMKFY 0.12
46 RDHMYRMPFY 0.12
47 RPPMYPMPFI 0.12
48 RDPMYPMPFM 0.12
49 RPHMYPMRFY 0.12
50 RDPMYPMKFY 0.12
51 RPHMYHMRFM 0.13
52 RDHMYPMPFM 0.13
53 RPRMYHMKFM 0.13
54 RDHMYPMKFY 0.13
55 RDRMYPMPFY 0.13
56 RDPMYHMKFM 0.13
57 RPPMYRMRFY 0.14
58 RDPMYHMRFY 0.14
59 RPHMYPMPFI 0.14
60 RDHMYHMKFM 0.14
61 RDRMYHMPFM 0.14
62 RPPMYRMKFM 0.14
63 RDRMYHMKFY 0.14
64 RPRMYHMRFY 0.14
65 RPPMYHMKFI 0.14
66 RPHMYHMKFI 0.15
67 RPPMYPMRFM 0.15
68 RDPMYRMPFM 0.15
69 RPHMYRMKFM 0.15
70 RPRMYHMPFI 0.15
71 RPRMYRMPFM 0.15
72 RDHMYHMRFY 0.15
73 RDPMYRMKFY 0.15
74 RPRMYRMKFY 0.15
75 RDPMYHMPFI 0.15
76 RPHMYRMRFY 0.15
77 RDRMYRMPFY 0.16
78 RDPMYPMRFY 0.16
79 RDHMYRMKFY 0.16
80 RPRMYPMRFY 0.16
81 RPRMYPMKFM 0.16
82 RDHMYHMPFI 0.16
83 RDHMYRMPFM 0.16
84 RPPMYRMPFI 0.16
85 RPHMYPMRFM 0.16
86 RDPMYPMKFM 0.16
87 RDRMYPMKFY 0.17
88 RPPMYPMKFI 0.17
89 RPHMYRMPFI 0.17
90 RDHMYPMKFM 0.17
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPHMYPMPFM

5.43

-11.15

-5.72
2 RPPMYHMKFM

5.44

-10.61

-5.17
3 RPHMYHMPFM

5.17

-10.19

-5.02
4 RPPMYPMPFM

6.03

-10.92

-4.89
5 RPPMYPMKFY

5.01

-9.65

-4.64
6 RPPMYHMKFY

5.07

-9.7

-4.63
7 RPPMYHMPFM

5.41

-9.92

-4.51
8 RPHMYHMRFY

5.65

-10.1

-4.45
9 RPPMYHMRFY

5.81

-10.21

-4.4
10 RPPMYHMPFY

5.59

-9.98

-4.39
11 RPHMYHMKFY

5.45

-9.48

-4.03
12 RPRMYHMPFM

6.0

-9.95

-3.95
13 RPHMYPMKFY

6.28

-10.13

-3.85
14 RPRMYHMKFY

5.7

-9.41

-3.71
15 RPHMYPMPFY

6.67

-10.3

-3.63
16 RPPMYPMPFY

6.11

-9.69

-3.58
17 RDPMYHMPFM

5.63

-9.04

-3.41
18 RPRMYPMPFY

6.18

-9.56

-3.38
19 RPRMYHMPFY

5.97

-9.29

-3.32
20 RPPMYRMPFY

6.14

-9.45

-3.31
21 RPHMYHMKFM

6.23

-9.15

-2.92
22 RPHMYHMPFY

6.26

-9.13

-2.87
23 RPHMYRMPFY

7.3

-10.07

-2.77
24 RDHMYHMKFY

5.82

-8.38

-2.56
25 RDHMYHMPFM

5.84

-7.73

-1.89
26 RDPMYHMKFY

6.89

-8.78

-1.89
27 RDPMYPMPFY

6.62

-8.49

-1.87
28 RDHMYPMPFY

6.5

-7.99

-1.49
29 RDHMYHMPFY

5.32

-6.62

-1.3
30 RDPMYHMPFY

6.41

-7.0

-0.59

 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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