Predicted ligand sequences (modelled structure)


ADAN-name: BEM1-D1_JO8-LCK-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    

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Intraclash 3.394 ΔGbinding -3.304
TOTAL
 0.090
Backbone Hb -1.913 Cis_bond 0.000
Sidechain Hb -1.912 Torsional clash 0.828
Van der Waals -3.694 Backbone clash 0.024
Electrostatics 0.019 Helix dipole 0.000
Solvation Polar 4.471 Water bridges -0.252
Solvation Hyd -4.832 Disulfide 0.000
VdW clashes 0.381 Electrost. Kon -0.009
Entropy sc 0.928 Part.cov.bonds 0.000
Entropy mc

2.679

 ΔGstability

47.524
       

Predicted ligand sequences for model [BEM1-D1_JO8-LCK-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).
 
  BEM1-D1_JO8-LCK-8.PDB  

(data)
# Predicted Sequences Value Calculate
1 DRNFWFPM 0.0
2 FRNFWFPM 0.02
3 YRNFWFPM 0.04
4 DRNPWFPM 0.05
5 DRNFWPPM 0.08
6 FRNPWFPM 0.08
7 YRNPWFPM 0.09
8 FRNFWPPM 0.11
9 YRNFWPPM 0.12
10 DRNPWPPM 0.14
11 DRNYWFPM 0.16
12 FRNPWPPM 0.16
13 YRNPWPPM 0.18
14 FRNYWFPM 0.19
15 YRNYWFPM 0.2
16 DRPFWFPM 0.21
17 DRNFWFGM 0.21
18 FRPFWFPM 0.23
19 FRNFWFGM 0.23
20 DRNYWPPM 0.25
21 YRNFWFGM 0.25
22 YRPFWFPM 0.25
23 DRPPWFPM 0.26
24 FRNYWPPM 0.27
25 DRNPWFGM 0.27
26 DRNFWFSM 0.28
27 FRPPWFPM 0.29
28 YRNYWPPM 0.29
29 DRPFWPPM 0.29
30 DRNFWPGM 0.29
31 FRNPWFGM 0.29
32 FRNFWFSM 0.3
33 YRPPWFPM 0.3
34 FRPFWPPM 0.31
35 YRNPWFGM 0.31
36 DRDFWFPM 0.32
37 FRNFWPGM 0.32
38 YRNFWFSM 0.32
39 DRNFPFPM 0.33
40 YRPFWPPM 0.33
41 YRNFWPGM 0.33
42 DRNPWFSM 0.34
43 DRPPWPPM 0.35
44 FRDFWFPM 0.35
45 FRNFPFPM 0.35
46 DRNPWPGM 0.35
47 FRNPWFSM 0.36
48 YRDFWFPM 0.36
49 DRNFWPSM 0.36
50 FRPPWPPM 0.37
51 FRNPWPGM 0.37
52 YRNFPFPM 0.37
53 DRPYWFPM 0.37
54 DRNYWFGM 0.38
55 YRNPWFSM 0.38
56 DRDPWFPM 0.38
57 FRNFWPSM 0.39
58 YRPPWPPM 0.39
59 DRNPPFPM 0.39
60 YRNPWPGM 0.39
61 FRDPWFPM 0.4
62 FRNYWFGM 0.4
63 FRPYWFPM 0.4
64 YRNFWPSM 0.4
65 DRNFPPPM 0.41
66 FRNPPFPM 0.41
67 DRDFWPPM 0.41
68 YRPYWFPM 0.41
69 DRPFWFGM 0.42
70 DRNPWPSM 0.42
71 YRDPWFPM 0.42
72 YRNYWFGM 0.42
73 FRDFWPPM 0.43
74 YRNPPFPM 0.43
75 FRNFPPPM 0.44
76 FRPFWFGM 0.44
77 FRNPWPSM 0.44
78 YRDFWPPM 0.45
79 DRNFWRPM 0.45
80 YRNFPPPM 0.45
81 DRNYWFSM 0.45
82 DRPYWPPM 0.46
83 YRNPWPSM 0.46
84 YRPFWFGM 0.46
85 DRNYWPGM 0.46
86 DRDPWPPM 0.46
87 DRNPPPPM 0.47
88 DRPPWFGM 0.47
89 FRNYWFSM 0.47
90 FRDPWPPM 0.48
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DRPFWPPM

7.63

-7.29

0.34
2 YRPFWFPM

7.42

-6.59

0.83
3 DRPFWFPM

8.01

-6.94

1.07
4 DRPPWFPM

7.74

-6.67

1.07
5 FRPPWFPM

8.13

-6.9

1.23
6 DRNYWPPM

7.62

-6.35

1.27
7 DRNFWPGM

8.01

-6.6

1.41
8 YRNYWFPM

7.26

-5.84

1.42
9 FRPFWFPM

7.33

-5.85

1.48
10 YRNYWPPM

7.9

-6.26

1.64
11 FRNYWPPM

7.97

-5.9

2.07
12 DRNPWPPM

8.46

-6.31

2.15
13 FRNPWPPM

8.74

-6.27

2.47
14 DRNFWPPM

7.57

-5.08

2.49
15 FRNFWFPM

8.14

-5.44

2.7
16 FRNFWPPM

7.88

-5.18

2.7
17 FRNYWFPM

7.63

-4.92

2.71
18 FRNFWFGM

8.0

-5.22

2.78
19 FRNPWFPM

8.02

-5.19

2.83
20 YRNPWPPM

8.24

-5.33

2.91
21 YRNFWPPM

8.55

-5.63

2.92
22 YRNFWFPM

7.37

-4.43

2.94
23 DRNPWFGM

7.64

-4.69

2.95
24 DRNPWFPM

7.8

-4.77

3.03
25 DRNFWFSM

7.84

-4.51

3.33
26 YRNPWFPM

8.89

-5.54

3.35
27 DRNFWFPM

8.59

-5.15

3.44
28 DRNFWFGM

7.94

-4.48

3.46
29 DRNYWFPM

8.24

-4.64

3.6
30 YRNFWFGM

8.21

-4.47

3.74

 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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