Predicted ligand sequences (modelled structure)


ADAN-name: BEM1-D1_JO8-LCK-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 10.098 ΔGbinding -3.225
TOTAL
 6.873
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.396
Van der Waals -4.568 Backbone clash 0.138
Electrostatics 0.003 Helix dipole 0.000
Solvation Polar 4.716 Water bridges 0.000
Solvation Hyd -6.524 Disulfide 0.000
VdW clashes 0.259 Electrost. Kon -0.063
Entropy sc 0.610 Part.cov.bonds 0.000
Entropy mc

3.221

 ΔGstability

50.448
       

Predicted ligand sequences for model [BEM1-D1_JO8-LCK-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).
 
  BEM1-D1_JO8-LCK-28.PDB  

(data)
# Predicted Sequences Value Calculate
1 YPRKHRHPNR 0.0
2 YPRKHRHPRR 0.01
3 RPRKHRHPNR 0.02
4 YPPKHRHPNR 0.03
5 YPPKHRHPRR 0.04
6 RPRKHRHPRR 0.04
7 RPPKHRHPNR 0.05
8 RPPKHRHPRR 0.07
9 YPRKHRHKNR 0.08
10 YPRKHRHKRR 0.09
11 YPPKHRHKNR 0.1
12 RPRKHRHKNR 0.1
13 RPRKHRHKRR 0.11
14 YPPKHRHKRR 0.12
15 RPPKHRHKNR 0.13
16 YPRKHRLPNR 0.13
17 RPPKHRHKRR 0.14
18 YPRKHRLPRR 0.15
19 RPRKHRLPNR 0.15
20 YPPKHRLPNR 0.16
21 RPRKHRLPRR 0.17
22 YPPKHRLPRR 0.17
23 YPFKHRHPNR 0.17
24 RPPKHRLPNR 0.18
25 YPRKHPHPNR 0.18
26 YPFKHRHPRR 0.19
27 RPFKHRHPNR 0.19
28 YPRKHRHRNR 0.2
29 YPRKHPHPRR 0.2
30 RPPKHRLPRR 0.2
31 YPRKHRHRRR 0.21
32 RPRKHPHPNR 0.21
33 YPRKHRLKNR 0.21
34 RPFKHRHPRR 0.21
35 YPPKHPHPNR 0.21
36 YPRKHRLKRR 0.22
37 RPRKHRHRNR 0.22
38 RPRKHPHPRR 0.22
39 YPPKHRLKNR 0.23
40 YPPKHRHRNR 0.23
41 YPPKHPHPRR 0.23
42 RPRKHRLKNR 0.23
43 FPRKHRHPNR 0.23
44 RPRKHRHRRR 0.24
45 RPPKHPHPNR 0.24
46 RPRKHRLKRR 0.24
47 YPRKHIHPNR 0.24
48 YPPKHRHRRR 0.24
49 FPRKHRHPRR 0.24
50 YPPKHRLKRR 0.25
51 YPRKHIHPRR 0.25
52 RPPKHRHRNR 0.25
53 FPPKHRHPNR 0.25
54 YPFKHRHKNR 0.25
55 RPPKHPHPRR 0.25
56 YPFKHRHKRR 0.26
57 RPPKHRLKNR 0.26
58 RPRKHIHPNR 0.26
59 RPPKHRHRRR 0.26
60 YPRKHPHKNR 0.26
61 YPPKHIHPNR 0.26
62 RPFKHRHKNR 0.27
63 RPRKHIHPRR 0.27
64 YPRKHRHPKR 0.27
65 FPPKHRHPRR 0.27
66 RPPKHRLKRR 0.27
67 YPRKHPHKRR 0.28
68 RPRKHPHKNR 0.28
69 YPPKHIHPRR 0.28
70 RPPKHIHPNR 0.29
71 YPPKHPHKNR 0.29
72 RPFKHRHKRR 0.29
73 RPRKHRHPKR 0.29
74 YPRKHRHPNM 0.3
75 YPPKHRHPKR 0.3
76 YPPKHPHKRR 0.3
77 RPRKHPHKRR 0.3
78 FPRKHRHKNR 0.3
79 RPPKHIHPRR 0.3
80 YPFKHRLPNR 0.3
81 YPRKHIHKNR 0.31
82 RPPKHPHKNR 0.31
83 YPFKHRLPRR 0.32
84 FPRKHRHKRR 0.32
85 RPPKHRHPKR 0.32
86 YPRKHRRPNR 0.32
87 YPRKHRHPRM 0.32
88 YPRKHPLPNR 0.32
89 YPRKHPLPRR 0.33
90 FPPKHRHKNR 0.33
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPPKHRHKNR

7.18

-12.7

-5.52
2 RPRKHRHKRR

7.55

-12.3

-4.75
3 YPPKHRHKRR

8.16

-12.73

-4.57
4 YPPKHRHKNR

7.75

-11.87

-4.12
5 RPRKHRLPRR

8.99

-12.92

-3.93
6 YPRKHRHKNR

8.11

-11.65

-3.54
7 RPPKHRHKRR

7.93

-11.03

-3.1
8 RPPKHRLPRR

8.69

-11.75

-3.06
9 YPRKHRHPRR

7.95

-10.94

-2.99
10 YPRKHRHRNR

7.65

-10.48

-2.83
11 RPRKHRHKNR

8.15

-10.98

-2.83
12 YPFKHRHPNR

7.74

-10.52

-2.78
13 YPPKHRLPRR

8.85

-11.58

-2.73
14 RPFKHRHPNR

9.64

-12.19

-2.55
15 YPPKHRHPRR

8.24

-10.76

-2.52
16 YPRKHRLPRR

9.27

-11.78

-2.51
17 YPRKHRHPNR

7.78

-10.29

-2.51
18 RPPKHRLPNR

7.86

-10.22

-2.36
19 YPRKHPHPNR

7.69

-10.02

-2.33
20 RPPKHRHPNR

7.81

-9.97

-2.16
21 YPRKHRHKRR

7.91

-10.07

-2.16
22 YPPKHRLPNR

8.59

-10.67

-2.08
23 YPFKHRHPRR

8.31

-10.28

-1.97
24 RPRKHRHPRR

8.22

-9.96

-1.74
25 YPRKHRLPNR

8.32

-9.58

-1.26
26 YPRKHPHPRR

8.4

-9.6

-1.2
27 YPPKHRHPNR

8.74

-9.73

-0.99
28 RPPKHRHPRR

8.2

-8.76

-0.56
29 RPRKHRLPNR

9.74

-9.97

-0.23
30 RPRKHRHPNR

9.03

-8.96

0.07

 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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