Predicted ligand sequences (modelled structure)


ADAN-name: BEM1-D1_JO8-LCK-11.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7
poly-Ala
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 8.966 ΔGbinding -1.482
TOTAL
 7.484
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.797
Van der Waals -3.495 Backbone clash 0.010
Electrostatics 0.059 Helix dipole 0.000
Solvation Polar 3.401 Water bridges 0.000
Solvation Hyd -4.977 Disulfide 0.000
VdW clashes 0.255 Electrost. Kon 0.023
Entropy sc 0.468 Part.cov.bonds 0.000
Entropy mc

3.262

 ΔGstability

49.431
       

Predicted ligand sequences for model [BEM1-D1_JO8-LCK-11.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-11.PDB  

(data)
# Predicted Sequences Value Calculate
1 FRWWPRR 0.0
2 FRPWPRR 0.04
3 FRWWHRR 0.12
4 FRWWFRR 0.12
5 FRPWHRR 0.16
6 FRPWFRR 0.16
7 FRWWRRR 0.19
8 FRPWRRR 0.22
9 FRRWPRR 0.25
10 FRFWPRR 0.32
11 FRLWPRR 0.35
12 FRWWLRR 0.35
13 FRRWFRR 0.37
14 FRRWHRR 0.38
15 FRPWLRR 0.39
16 FRWWPPR 0.42
17 FRFWFRR 0.44
18 FRRWRRR 0.44
19 FRFWHRR 0.45
20 FRPWPPR 0.46
21 FRLWHRR 0.47
22 FRLWFRR 0.47
23 FRFWRRR 0.51
24 FRLWRRR 0.53
25 FRWWFPR 0.54
26 FRWWHPR 0.55
27 FRWWPGR 0.55
28 FRPWHPR 0.58
29 FRPWFPR 0.58
30 FRPWPGR 0.59
31 FRRWLRR 0.6
32 FRWWRPR 0.61
33 FRWWPSR 0.61
34 FRWWPRH 0.63
35 FRPWPSR 0.64
36 FRPWRPR 0.65
37 FRPWPRH 0.66
38 FRWWFGR 0.67
39 FRFWLRR 0.67
40 FRRWPPR 0.67
41 FRWWHGR 0.68
42 FRLWLRR 0.7
43 FRPWHGR 0.71
44 FRPWFGR 0.71
45 FRWWFSR 0.73
46 FRWWHSR 0.73
47 FRWWRGR 0.74
48 FRFWPPR 0.74
49 FRWWHRH 0.75
50 FRWWFRH 0.75
51 FRPWFSR 0.76
52 FRPWHSR 0.77
53 FRLWPPR 0.77
54 FRWWLPR 0.77
55 FRPWFRH 0.78
56 FRPWRGR 0.78
57 FRPWHRH 0.79
58 FRRWFPR 0.79
59 FRWWRSR 0.8
60 FRRWPGR 0.8
61 FRRWHPR 0.8
62 FRPWLPR 0.81
63 FRWWRRH 0.81
64 FRPWRSR 0.83
65 FRPWRRH 0.85
66 FRFWFPR 0.86
67 FRRWPSR 0.86
68 FRRWRPR 0.86
69 FRFWPGR 0.87
70 FRFWHPR 0.87
71 FRRWPRH 0.88
72 FRLWFPR 0.89
73 FRLWHPR 0.89
74 FRLWPGR 0.9
75 FRWWLGR 0.91
76 FRRWFGR 0.92
77 FRFWPSR 0.93
78 FRRWHGR 0.93
79 FRFWRPR 0.93
80 FRPWLGR 0.94
81 FRLWPSR 0.95
82 FRFWPRH 0.95
83 FRLWRPR 0.96
84 FRWWLSR 0.96
85 FRLWPRH 0.97
86 FRRWFSR 0.98
87 FRWWLRH 0.98
88 FRRWHSR 0.98
89 FRRWRGR 0.99
90 FRFWFGR 0.99
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FRRWPRR

6.39

-7.87

-1.48
2 FRPWPPR

5.73

-6.85

-1.12
3 FRWWPPR

5.79

-6.87

-1.08
4 FRPWPGR

6.4

-7.38

-0.98
5 FRLWPRR

6.34

-7.0

-0.66
6 FRWWRRR

5.49

-6.02

-0.53
7 FRPWPRR

6.55

-6.81

-0.26
8 FRFWPRR

6.05

-6.3

-0.25
9 FRPWLRR

6.35

-6.48

-0.13
10 FRPWFRR

6.91

-6.89

0.02
11 FRLWFRR

6.52

-6.33

0.19
12 FRWWPGR

7.04

-6.62

0.42
13 FRRWRRR

6.88

-6.36

0.52
14 FRLWHRR

6.71

-6.07

0.64
15 FRPWHRR

6.78

-6.14

0.64
16 FRPWFPR

6.76

-6.08

0.68
17 FRRWHRR

6.84

-6.15

0.69
18 FRWWFRR

6.9

-6.19

0.71
19 FRWWPRR

7.42

-6.68

0.74
20 FRRWFRR

7.31

-6.56

0.75
21 FRWWLRR

7.15

-6.37

0.78
22 FRWWFPR

6.58

-5.71

0.87
23 FRPWHPR

6.53

-5.64

0.89
24 FRFWFRR

6.84

-5.94

0.9
25 FRPWRRR

7.11

-6.19

0.92
26 FRLWRRR

7.13

-5.96

1.17
27 FRWWHRR

6.87

-5.64

1.23
28 FRFWHRR

6.48

-5.24

1.24
29 FRFWRRR

7.09

-5.62

1.47
30 FRWWHPR

6.79

-5.09

1.7

 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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