Predicted ligand sequences (modelled structure)


ADAN-name: LSB1_1CKB-29.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 4.828 ΔGbinding -1.861
TOTAL
 2.967
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.492
Van der Waals -3.422 Backbone clash 0.009
Electrostatics -0.003 Helix dipole 0.000
Solvation Polar 3.722 Water bridges 0.020
Solvation Hyd -4.647 Disulfide 0.000
VdW clashes 0.161 Electrost. Kon -0.045
Entropy sc 0.523 Part.cov.bonds 0.000
Entropy mc

2.612

 ΔGstability

62.196
       

Predicted ligand sequences for model [LSB1_1CKB-29.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_1CKB-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 HRPPWHRKMW 0.0
2 HRPPWPRKMW 0.02
3 HRPPWHPKMW 0.04
4 HRPPFHRKMW 0.05
5 HRPPFPRKMW 0.07
6 HRPWWHRKMW 0.07
7 HRPPWPPKMW 0.07
8 HRPPWHRMMW 0.08
9 HRPPWFRKMW 0.08
10 HRPWWPRKMW 0.09
11 HRPPFHPKMW 0.1
12 HRPPWPRMMW 0.1
13 HRPWWHPKMW 0.11
14 HRPPWHHKMW 0.11
15 HRPPFPPKMW 0.12
16 HRPWFHRKMW 0.12
17 HRPPWHPMMW 0.12
18 HRPPFHRMMW 0.13
19 HRPPWPHKMW 0.13
20 HRPWWPPKMW 0.13
21 HRPPWFPKMW 0.13
22 HRPPFFRKMW 0.14
23 HRPWFPRKMW 0.14
24 HRPWWFRKMW 0.15
25 HRPPWPPMMW 0.15
26 HRPWWHRMMW 0.15
27 HRPPWHRHMW 0.15
28 HRPPLHRKMW 0.15
29 HRPPFPRMMW 0.15
30 HRPPWFRMMW 0.16
31 RRPPWHRKMW 0.16
32 HRPWFHPKMW 0.16
33 HRPPFHHKMW 0.17
34 HRPPLPRKMW 0.17
35 HRPPWPRHMW 0.17
36 HRPWWPRMMW 0.17
37 HRPWWHHKMW 0.18
38 HRPWFPPKMW 0.18
39 HRPPFFPKMW 0.18
40 HRPPFHPMMW 0.18
41 RRPPWPRKMW 0.18
42 HRPWWHPMMW 0.19
43 HRPPWHHMMW 0.19
44 HRPWWFPKMW 0.19
45 HRPPFPHKMW 0.19
46 HRPPWFHKMW 0.19
47 HRPPWHPHMW 0.19
48 HRPPFPPMMW 0.2
49 HRPPFHRHMW 0.2
50 HRPPLHPKMW 0.2
51 HRPWFHRMMW 0.2
52 HRPWFFRKMW 0.2
53 HRPWWPHKMW 0.2
54 HRPPWPHMMW 0.21
55 HRPWWPPMMW 0.21
56 HRPPWFPMMW 0.21
57 RRPPFHRKMW 0.21
58 HRPPWPPHMW 0.21
59 HRPWWHRHMW 0.21
60 RRPPWHPKMW 0.21
61 HRPRWHRKMW 0.22
62 HRPWFPRMMW 0.22
63 HRPPFPRHMW 0.22
64 HRPPLPPKMW 0.22
65 HRPWLHRKMW 0.22
66 HRPPFFRMMW 0.22
67 HRPPLFRKMW 0.23
68 HRPPLHRMMW 0.23
69 HRPWWFRMMW 0.23
70 HRPWFHHKMW 0.23
71 RRPPWPPKMW 0.23
72 HRPPWFRHMW 0.23
73 RRPWWHRKMW 0.23
74 RRPPWHRMMW 0.24
75 RRPPFPRKMW 0.24
76 HRPRWPRKMW 0.24
77 HRPWFHPMMW 0.24
78 HRPWWPRHMW 0.24
79 HRPWFFPKMW 0.24
80 DRPPWHRKMW 0.24
81 HRPWLPRKMW 0.24
82 RRPPWFRKMW 0.24
83 RRPWWPRKMW 0.25
84 HRPPFHPHMW 0.25
85 HRPPFHHMMW 0.25
86 HRPPLPRMMW 0.25
87 HRPWFPHKMW 0.25
88 HRPPFFHKMW 0.25
89 DRPPWPRKMW 0.26
90 RRPPWPRMMW 0.26
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 HRPPWHRHMW

3.78

-13.16

-9.38
2 HRPPWPRMMW

3.4

-12.2

-8.8
3 HRPPFPPKMW

2.86

-11.47

-8.61
4 HRPPFPRMMW

3.17

-11.62

-8.45
5 HRPPWPPMMW

3.17

-11.61

-8.44
6 HRPPFHRMMW

3.38

-11.54

-8.16
7 HRPWFHRKMW

2.98

-11.09

-8.11
8 HRPPWFRMMW

2.99

-11.09

-8.1
9 HRPPFHPKMW

2.86

-10.81

-7.95
10 HRPPWHPMMW

3.21

-11.11

-7.9
11 HRPPFHRKMW

3.2

-10.95

-7.75
12 HRPPWHPKMW

2.96

-10.65

-7.69
13 HRPWWHPKMW

2.89

-10.57

-7.68
14 HRPPWPPKMW

2.86

-10.51

-7.65
15 HRPPWFRKMW

2.92

-10.34

-7.42
16 HRPPWHRMMW

3.37

-10.78

-7.41
17 HRPWWPRKMW

3.11

-10.29

-7.18
18 HRPPFPRKMW

3.24

-10.27

-7.03
19 HRPWWPPKMW

2.8

-9.81

-7.01
20 HRPWFPRKMW

3.23

-10.23

-7.0
21 HRPWWHRMMW

3.48

-10.47

-6.99
22 HRPPWHHKMW

3.01

-9.98

-6.97
23 HRPPWFPKMW

3.42

-10.25

-6.83
24 HRPPFFRKMW

3.27

-10.04

-6.77
25 HRPPWHRKMW

4.29

-10.94

-6.65
26 HRPPWPRKMW

3.59

-10.21

-6.62
27 HRPPLHRKMW

3.11

-9.7

-6.59
28 HRPPWPHKMW

3.13

-9.63

-6.5
29 HRPWWHRKMW

4.36

-10.71

-6.35
30 HRPWWFRKMW

3.67

-9.07

-5.4

 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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