Predicted ligand sequences (modelled structure)


ADAN-name: BEM1-D1_JO8-LCK-12.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    

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Intraclash 1.267 ΔGbinding -1.182
TOTAL
 0.085
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.307
Van der Waals -1.740 Backbone clash 0.000
Electrostatics 0.022 Helix dipole 0.000
Solvation Polar 1.617 Water bridges 0.000
Solvation Hyd -2.585 Disulfide 0.000
VdW clashes 0.020 Electrost. Kon -0.012
Entropy sc 0.086 Part.cov.bonds 0.000
Entropy mc

1.103

 ΔGstability

50.008
       

Predicted ligand sequences for model [BEM1-D1_JO8-LCK-12.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).
 
  BEM1-D1_JO8-LCK-12.PDB  

(data)
# Predicted Sequences Value Calculate
1 RDAKRRFR 0.0
2 ADAKRRFR 0.01
3 CDAKRRFR 0.01
4 RKAKRRFR 0.04
5 AKAKRRFR 0.05
6 CKAKRRFR 0.06
7 RDAKPRFR 0.07
8 ADAKPRFR 0.07
9 RDAKRRWR 0.08
10 CDAKPRFR 0.08
11 CDAKRRWR 0.09
12 ADAKRRWR 0.09
13 RKAKPRFR 0.11
14 RKAKRRWR 0.12
15 CKAKPRFR 0.12
16 AKAKPRFR 0.12
17 AKAKRRWR 0.13
18 CKAKRRWR 0.13
19 RDAKPRWR 0.14
20 ADAKPRWR 0.15
21 CDAKPRWR 0.15
22 RDAKRLFR 0.16
23 CDAKRLFR 0.17
24 ADAKRLFR 0.17
25 RKAKPRWR 0.19
26 RDAKRRFK 0.19
27 RDAKHRFR 0.2
28 CKAKPRWR 0.2
29 AKAKPRWR 0.2
30 ADAKRRFK 0.2
31 CDAKRRFK 0.2
32 CDAKHRFR 0.21
33 ADAKHRFR 0.21
34 RKAKRLFR 0.21
35 AKAKRLFR 0.22
36 CKAKRLFR 0.22
37 RKAKRRFK 0.23
38 RDAKPLFR 0.23
39 CDAKPLFR 0.24
40 AKAKRRFK 0.24
41 RKAKHRFR 0.24
42 RDAKRLWR 0.24
43 CKAKRRFK 0.24
44 ADAKPLFR 0.24
45 CDAKRLWR 0.25
46 RDAKPRFK 0.25
47 ADAKRLWR 0.25
48 AKAKHRFR 0.25
49 ADAKPRFK 0.26
50 CKAKHRFR 0.26
51 CDAKPRFK 0.26
52 RKAKPLFR 0.27
53 RDAKRRWK 0.27
54 ADAKRRWK 0.27
55 CDAKRRWK 0.28
56 RDAKHRWR 0.28
57 AKAKPLFR 0.28
58 RKAKRLWR 0.29
59 AKAKRLWR 0.29
60 CKAKPLFR 0.29
61 CDAKHRWR 0.29
62 ADAKHRWR 0.29
63 CKAKRLWR 0.3
64 RKAKPRFK 0.3
65 RKAKRRWK 0.31
66 CKAKPRFK 0.31
67 AKAKPRFK 0.31
68 RDAKPLWR 0.31
69 ADAKPLWR 0.32
70 AKAKRRWK 0.32
71 CDAKPLWR 0.32
72 CKAKRRWK 0.32
73 RKAKHRWR 0.32
74 RDAKPRWK 0.33
75 CKAKHRWR 0.33
76 AKAKHRWR 0.33
77 ADAKPRWK 0.34
78 CDAKPRWK 0.34
79 RDAKRLFK 0.35
80 RKAKPLWR 0.35
81 CDAKRLFK 0.36
82 RDAKHLFR 0.36
83 ADAKRLFK 0.36
84 AKAKPLWR 0.36
85 CKAKPLWR 0.36
86 RDAKRRFP 0.36
87 ADAKHLFR 0.37
88 ADAKRRFP 0.37
89 CDAKHLFR 0.37
90 CDAKRRFP 0.37
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RDAKRLFR

3.83

-5.75

-1.92
2 AKAKRRFR

3.52

-5.1

-1.58
3 ADAKRLFR

5.29

-5.4

-0.11
4 RDAKPRWR

6.0

-5.71

0.29
5 CDAKRLFR

6.04

-5.51

0.53
6 ADAKPRWR

6.0

-5.36

0.64
7 RKAKRRFR

5.69

-5.03

0.66
8 RKAKPRFR

5.63

-4.97

0.66
9 AKAKPRWR

6.03

-5.26

0.77
10 RKAKPRWR

6.05

-5.21

0.84
11 AKAKPRFR

5.65

-4.8

0.85
12 ADAKRRFR

5.9

-4.94

0.96
13 ADAKPRFR

5.77

-4.78

0.99
14 RDAKRRFR

5.71

-4.69

1.02
15 CDAKPRWR

6.06

-4.97

1.09
16 RKAKRRWR

6.17

-5.07

1.1
17 AKAKRRWR

6.07

-4.96

1.11
18 RDAKPRFR

5.78

-4.53

1.25
19 ADAKRRWR

6.05

-4.78

1.27
20 RDAKRRFK

5.92

-4.56

1.36
21 CKAKPRWR

6.21

-4.85

1.36
22 ADAKRRFK

5.81

-4.35

1.46
23 RDAKRRWR

6.43

-4.93

1.5
24 CKAKPRFR

5.82

-4.27

1.55
25 CDAKPRFR

5.63

-3.91

1.72
26 RDAKHRFR

5.69

-3.93

1.76
27 CDAKRRWR

6.31

-4.52

1.79
28 CKAKRRFR

6.44

-4.5

1.94
29 CDAKRRFR

6.53

-4.39

2.14
30 CKAKRRWR

6.29

-3.81

2.48

 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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