Predicted ligand sequences


ADAN-name: 2BZK2.PDB (view again the scoring matrix)

PDB name: [2BZK.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT K R R R H P S
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 1.561 ΔGbinding -22.008
TOTAL
 -20.447
Backbone Hb -3.550 Cis_bond 0.000
Sidechain Hb -8.700 Torsional clash 0.906
Van der Waals -8.694 Backbone clash 0.135
Electrostatics -13.388 Helix dipole 0.034
Solvation Polar 16.592 Water bridges -0.050
Solvation Hyd -8.500 Disulfide 0.000
VdW clashes 0.353 Electrost. Kon -7.102
Entropy sc 6.965 Part.cov.bonds 0.000
Entropy mc

3.127

 ΔGstability

-43.017
       

Predicted ligand sequences for template [2BZK2.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).
 
  2BZK2.PDB  

(data)
# Predicted Sequences Value Calculate
1 HRFRWRR 0.0
2 HRFRFRR 0.06
3 WRFRWRR 0.08
4 RRFRWRR 0.1
5 FRFRWRR 0.12
6 WRFRFRR 0.14
7 KRFRWRR 0.14
8 RRFRFRR 0.16
9 FRFRFRR 0.19
10 KRFRFRR 0.2
11 HRYRWRR 0.3
12 HRYRFRR 0.36
13 WRYRWRR 0.38
14 RRYRWRR 0.4
15 FRYRWRR 0.43
16 KRYRWRR 0.44
17 WRYRFRR 0.44
18 RRYRFRR 0.46
19 FRYRFRR 0.49
20 KRYRFRR 0.51
21 HRFRWPR 0.55
22 HRIRWRR 0.56
23 HRRRWRR 0.6
24 HRFRFPR 0.62
25 HRIRFRR 0.62
26 WRFRWPR 0.63
27 WRIRWRR 0.64
28 RRFRWPR 0.65
29 RRIRWRR 0.66
30 HRRRFRR 0.66
31 HRHRWRR 0.67
32 WRRRWRR 0.68
33 FRFRWPR 0.68
34 FRIRWRR 0.68
35 WRFRFPR 0.69
36 KRIRWRR 0.7
37 WRIRFRR 0.7
38 RRRRWRR 0.7
39 KRFRWPR 0.7
40 RRFRFPR 0.71
41 FRRRWRR 0.72
42 RRIRFRR 0.72
43 HRHRFRR 0.73
44 KRRRWRR 0.74
45 WRRRFRR 0.74
46 FRFRFPR 0.74
47 FRIRFRR 0.75
48 WRHRWRR 0.75
49 KRIRFRR 0.76
50 KRFRFPR 0.76
51 RRRRFRR 0.76
52 RRHRWRR 0.77
53 FRRRFRR 0.79
54 FRHRWRR 0.79
55 KRRRFRR 0.8
56 WRHRFRR 0.81
57 KRHRWRR 0.81
58 RRHRFRR 0.83
59 HRYRWPR 0.86
60 FRHRFRR 0.86
61 KRHRFRR 0.88
62 HRYRFPR 0.92
63 WRYRWPR 0.93
64 RRYRWPR 0.95
65 FRYRWPR 0.98
66 KRYRWPR 1.0
67 WRYRFPR 1.0
68 RRYRFPR 1.02
69 FRYRFPR 1.04
70 KRYRFPR 1.06
71 HRIRWPR 1.11
72 HRRRWPR 1.16
73 HRIRFPR 1.18
74 WRIRWPR 1.19
75 RRIRWPR 1.21
76 HRRRFPR 1.22
77 HRHRWPR 1.23
78 WRRRWPR 1.23
79 FRIRWPR 1.24
80 RRRRWPR 1.25
81 WRIRFPR 1.25
82 KRIRWPR 1.26
83 RRIRFPR 1.27
84 FRRRWPR 1.28
85 WRRRFPR 1.29
86 HRHRFPR 1.29
87 FRIRFPR 1.3
88 KRRRWPR 1.3
89 WRHRWPR 1.3
90 RRRRFPR 1.31
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 HRIRFRR

2.17

-21.88

-19.71
2 HRRRWRR

2.18

-21.18

-19.0
3 RRFRFRR

2.74

-21.2

-18.46
4 FRFRFRR

2.49

-20.18

-17.69
5 HRFRFRR

2.25

-19.84

-17.59
6 RRIRWRR

2.3

-19.62

-17.32
7 WRIRWRR

2.11

-19.42

-17.31
8 FRFRWRR

2.05

-19.29

-17.24
9 HRYRFRR

1.79

-19.02

-17.23
10 KRYRWRR

1.89

-19.03

-17.14
11 KRYRFRR

2.13

-19.02

-16.89
12 WRYRFRR

2.23

-18.54

-16.31
13 WRFRFRR

2.17

-17.99

-15.82
14 HRRRFRR

2.0

-17.56

-15.56
15 HRIRWRR

2.15

-17.12

-14.97
16 KRFRFRR

2.41

-17.12

-14.71
17 RRYRFRR

2.2

-16.79

-14.59
18 FRYRWRR

1.97

-16.25

-14.28
19 KRFRWRR

2.62

-16.58

-13.96
20 HRFRFPR

2.08

-15.97

-13.89
21 HRYRWRR

1.65

-14.77

-13.12
22 WRYRWRR

1.8

-14.84

-13.04
23 WRFRWRR

2.26

-15.05

-12.79
24 FRYRFRR

2.2

-14.96

-12.76
25 WRFRWPR

2.23

-14.76

-12.53
26 HRFRWPR

2.04

-14.38

-12.34
27 RRFRWPR

2.21

-14.31

-12.1
28 RRFRWRR

2.0

-13.8

-11.8
29 RRYRWRR

1.98

-12.93

-10.95
30 HRFRWRR

2.02

-12.02

-10.0

 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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