Predicted ligand sequences


ADAN-name: 2BZ82.PDB (view again the scoring matrix)

PDB name: [2BZ8.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT P A R P P K P R P R R
position 1 2 3 4 5 6 7 8 9 10 11
poly-Ala
A
 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 1.718 ΔGbinding -11.140
TOTAL
 -9.422
Backbone Hb -0.620 Cis_bond 0.000
Sidechain Hb -4.710 Torsional clash 0.070
Van der Waals -6.540 Backbone clash 0.330
Electrostatics -2.890 Helix dipole 0.000
Solvation Polar 7.920 Water bridges -0.380
Solvation Hyd -7.500 Disulfide 0.000
VdW clashes 0.120 Electrost. Kon -1.610
Entropy sc 3.840 Part.cov.bonds 0.000
Entropy mc

1.170

 ΔGstability

11.190
       

Predicted ligand sequences for template [2BZ82.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).
 
  2BZ82.PDB  

(data)
# Predicted Sequences Value Calculate
1 RMRHRPPRRRH 0.0
2 RMRHRPPRRRI 0.0
3 RMRHRPPRRRR 0.0
4 RMRHRWPRRRR 0.0
5 RMRHRWPRRRI 0.0
6 RMRHRWPRRRH 0.0
7 RMEHRWPRRRR 0.01
8 RMEHRWPRRRH 0.01
9 RMEHRWPRRRI 0.01
10 RMEHRPPRRRI 0.01
11 RMEHRPPRRRH 0.01
12 RMEHRPPRRRR 0.01
13 RMCHRPPRRRI 0.01
14 RMCHRPPRRRH 0.01
15 RMRHRWVRRRI 0.01
16 RMRHRWVRRRH 0.01
17 RMRHRWVRRRR 0.01
18 RMCHRWPRRRH 0.01
19 RMCHRWPRRRI 0.01
20 RMCHRWPRRRR 0.01
21 RMCHRPPRRRR 0.01
22 RMRHRPVRRRH 0.01
23 RMRHRPVRRRI 0.01
24 RMRHRPVRRRR 0.01
25 RMCHRWVRRRH 0.02
26 RMCHRWVRRRI 0.02
27 RMCHRWVRRRR 0.02
28 RMCHRPVRRRR 0.02
29 RMCHRPVRRRI 0.02
30 RMCHRPVRRRH 0.02
31 RMRHRAPRRRI 0.02
32 RMRHRAPRRRH 0.02
33 RMRHRAPRRRR 0.02
34 RMEHRPVRRRR 0.02
35 RMEHRPVRRRI 0.02
36 RMEHRPVRRRH 0.02
37 RMEHRWVRRRR 0.02
38 RMEHRWVRRRH 0.02
39 RMEHRWVRRRI 0.02
40 RMEHRAPRRRH 0.03
41 RMEHRAPRRRI 0.03
42 RMEHRAPRRRR 0.03
43 RMRHRAVRRRR 0.03
44 RMRHRAVRRRI 0.03
45 RMRHRAVRRRH 0.03
46 RMCHRAPRRRH 0.03
47 RMCHRAPRRRR 0.03
48 RMCHRAPRRRI 0.03
49 RMRHRWPRKRH 0.04
50 RMRHRWPRKRI 0.04
51 RMRHRWPRKRR 0.04
52 RMRHRPPRKRR 0.04
53 RMRHRPPRKRI 0.04
54 RMRHRPPRKRH 0.04
55 RMEHRAVRRRH 0.04
56 RMEHRAVRRRI 0.04
57 RMEHRAVRRRR 0.04
58 RMCHRAVRRRH 0.04
59 RMCHRAVRRRI 0.04
60 RMCHRAVRRRR 0.04
61 HMRHRPPRRRH 0.05
62 HMRHRPPRRRR 0.05
63 HMRHRPPRRRI 0.05
64 RMEHRWPRKRR 0.05
65 RMEHRWPRKRI 0.05
66 RMEHRWPRKRH 0.05
67 HMRHRWPRRRR 0.05
68 HMRHRWPRRRI 0.05
69 HMRHRWPRRRH 0.05
70 RMCHRWPRKRR 0.05
71 RMCHRWPRKRI 0.05
72 RMCHRWPRKRH 0.05
73 RMRHRPVRKRI 0.05
74 RMRHRPVRKRH 0.05
75 RMRHRPVRKRR 0.05
76 RMRHRWVRKRH 0.05
77 RMRHRWVRKRI 0.05
78 RMRHRWVRKRR 0.05
79 RMEHRPPRKRH 0.05
80 RMEHRPPRKRI 0.05
81 RMEHRPPRKRR 0.05
82 RMCHRPPRKRH 0.05
83 RMCHRPPRKRI 0.05
84 RMCHRPPRKRR 0.05
85 KMRHRWPRRRH 0.06
86 KMRHRWPRRRR 0.06
87 KMRHRWPRRRI 0.06
88 HMCHRPPRRRR 0.06
89 HMCHRPPRRRI 0.06
90 HMCHRPPRRRH 0.06
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RMEHRWPRRRH

1.6

-15.3

-13.7
2 RMRHRWPRRRR

1.25

-14.31

-13.06
3 RMCHRPPRRRR

1.28

-14.29

-13.01
4 RMRHRWPRRRI

1.19

-14.09

-12.9
5 RMRHRWVRRRH

1.16

-14.02

-12.86
6 RMRHRWPRRRH

1.76

-14.62

-12.86
7 RMCHRWPRRRI

1.22

-13.77

-12.55
8 RMEHRWPRRRI

1.17

-13.58

-12.41
9 RMEHRWPRRRR

0.91

-13.23

-12.32
10 RMEHRPPRRRH

1.02

-13.14

-12.12
11 RMRHRPVRRRI

1.22

-13.34

-12.12
12 RMCHRPVRRRI

1.35

-13.46

-12.11
13 RMRHRPPRRRH

1.24

-13.3

-12.06
14 RMCHRPPRRRI

1.46

-13.38

-11.92
15 RMRHRPPRRRI

0.97

-12.56

-11.59
16 RMCHRPVRRRR

1.52

-13.07

-11.55
17 RMCHRPVRRRH

1.68

-13.23

-11.55
18 RMCHRWVRRRR

1.37

-12.91

-11.54
19 RMCHRPPRRRH

1.38

-12.7

-11.32
20 RMEHRPPRRRI

0.89

-12.19

-11.3
21 RMCHRWVRRRH

1.89

-13.05

-11.16
22 RMCHRWVRRRI

1.04

-12.18

-11.14
23 RMCHRWPRRRH

1.95

-13.0

-11.05
24 RMCHRWPRRRR

1.12

-12.01

-10.89
25 RMEHRPPRRRR

1.33

-12.06

-10.73
26 RMRHRPVRRRR

1.7

-12.4

-10.7
27 RMRHRPVRRRH

1.69

-12.24

-10.55
28 RMRHRWVRRRI

1.45

-11.9

-10.45
29 RMRHRWVRRRR

1.8

-12.19

-10.39
30 RMRHRPPRRRR

1.63

-11.83

-10.2

 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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