Predicted ligand sequences


ADAN-name: 2BZ83.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 2.217 ΔGbinding -12.970
TOTAL
 -10.753
Backbone Hb -1.610 Cis_bond 0.000
Sidechain Hb -4.960 Torsional clash 0.040
Van der Waals -7.830 Backbone clash 0.690
Electrostatics -2.790 Helix dipole 0.000
Solvation Polar 8.160 Water bridges -0.170
Solvation Hyd -9.460 Disulfide 0.000
VdW clashes 0.180 Electrost. Kon -1.930
Entropy sc 5.320 Part.cov.bonds 0.000
Entropy mc

2.080

 ΔGstability

4.490
       

Predicted ligand sequences for template [2BZ83.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).
 
  2BZ83.PDB  

(data)
# Predicted Sequences Value Calculate
1 RMRKRIDLRAK 0.0
2 RMRKRIDLRAM 0.01
3 RMRFRIDLRAK 0.01
4 RMRKRIDLRNK 0.01
5 RMRCRIDLRAK 0.02
6 RMRKRIDLRCK 0.02
7 RMRKRIELRAK 0.02
8 RMRFRIDLRAM 0.02
9 RMRKRIDLRNM 0.02
10 RMRFRIDLRNK 0.02
11 RMRKRIDLRCM 0.03
12 RMRCRIDLRAM 0.03
13 RMRKRLDLRAK 0.03
14 RMRFRIDLRCK 0.03
15 RMRKRIELRAM 0.03
16 RMRCRIDLRNK 0.03
17 RMRKRIELRNK 0.03
18 RMRFRIELRAK 0.03
19 RMRFRIDLRNM 0.03
20 RMRCRIDLRNM 0.04
21 RMRKRLDLRAM 0.04
22 RMRFRIELRNK 0.04
23 RMRFRIDLRCM 0.04
24 RMRKRLDLRNK 0.04
25 HMRKRIDLRAK 0.04
26 RMRFRLDLRAK 0.04
27 RMRKRIELRCK 0.04
28 RMRKRIELRNM 0.04
29 RMRFRIELRAM 0.04
30 RMRCRIELRAK 0.04
31 RMRCRIDLRCK 0.04
32 RMRKRLDLRCK 0.05
33 RMRKRLELRAK 0.05
34 RMRFRIELRNM 0.05
35 RMRKRLDLRNM 0.05
36 HMRKRIDLRAM 0.05
37 RMRCRIELRNK 0.05
38 RMRFRLDLRAM 0.05
39 HMRKRIDLRNK 0.05
40 RMRKRIELRCM 0.05
41 RMRFRIELRCK 0.05
42 RMRCRLDLRAK 0.05
43 RMRCRIELRAM 0.05
44 HMRFRIDLRAK 0.05
45 RMRFRLDLRNK 0.05
46 RMRCRIDLRCM 0.05
47 RMRKRLDLRCM 0.06
48 HMRCRIDLRAK 0.06
49 RMRCRIELRCK 0.06
50 RMRKRLELRNK 0.06
51 HMRFRIDLRNK 0.06
52 RMRFRLDLRCK 0.06
53 HMRKRIELRAK 0.06
54 RMRCRIELRNM 0.06
55 HMRKRIDLRNM 0.06
56 HMRKRIDLRCK 0.06
57 RMRKRLELRAM 0.06
58 RMRFRIELRCM 0.06
59 RMRCRLDLRNK 0.06
60 RMRFRLELRAK 0.06
61 RMRCRLDLRAM 0.06
62 HMRFRIDLRAM 0.06
63 RMRFRLDLRNM 0.06
64 HMRCRIDLRNK 0.07
65 HMRCRIDLRAM 0.07
66 RMRCRIELRCM 0.07
67 HMRFRIDLRCK 0.07
68 RMRKRLELRNM 0.07
69 HMRKRLDLRAK 0.07
70 RMRFRLDLRCM 0.07
71 HMRKRIELRAM 0.07
72 HMRKRIELRNK 0.07
73 RMRKRLELRCK 0.07
74 RMRCRLELRAK 0.07
75 HMRKRIDLRCM 0.07
76 HMRFRIDLRNM 0.07
77 RMRFRLELRNK 0.07
78 HMRFRIELRAK 0.07
79 RMRCRLDLRCK 0.07
80 RMRCRLDLRNM 0.07
81 RMRFRLELRAM 0.07
82 HMRCRIDLRNM 0.08
83 RMRFRLELRCK 0.08
84 HMRKRLDLRNK 0.08
85 HMRFRIDLRCM 0.08
86 HMRKRIELRCK 0.08
87 HMRKRLDLRAM 0.08
88 HMRCRIDLRCK 0.08
89 HMRKRIELRNM 0.08
90 RMRCRLELRNK 0.08
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RMRFRIELRAK

3.99

-19.41

-15.42
2 HMRKRIDLRAK

3.6

-19.0

-15.4
3 RMRFRIDLRCK

3.8

-19.1

-15.3
4 RMRKRIELRNK

3.58

-18.82

-15.24
5 RMRFRIDLRNK

3.69

-18.79

-15.1
6 RMRKRIELRAK

3.57

-18.66

-15.09
7 RMRKRLDLRAK

3.46

-18.43

-14.97
8 RMRKRIDLRCM

4.17

-18.96

-14.79
9 RMRFRIDLRAK

3.5

-18.26

-14.76
10 RMRKRIDLRNM

3.5

-18.26

-14.76
11 RMRKRIDLRNK

4.14

-18.89

-14.75
12 RMRKRIDLRAK

3.52

-18.19

-14.67
13 RMRCRIDLRAM

3.63

-18.23

-14.6
14 RMRKRLDLRNK

3.75

-18.32

-14.57
15 RMRFRIDLRCM

4.44

-18.93

-14.49
16 RMRKRIDLRCK

3.31

-17.64

-14.33
17 RMRCRIDLRAK

3.66

-17.95

-14.29
18 RMRKRLDLRAM

3.76

-18.04

-14.28
19 RMRFRIDLRNM

3.53

-17.66

-14.13
20 RMRKRIELRAM

3.83

-17.84

-14.01
21 RMRKRIELRNM

3.66

-17.39

-13.73
22 RMRKRIELRCK

4.01

-17.61

-13.6
23 RMRKRIDLRAM

4.28

-17.84

-13.56
24 RMRFRIELRNK

3.54

-17.0

-13.46
25 RMRFRIDLRAM

3.5

-16.78

-13.28
26 RMRFRLDLRAK

4.46

-17.5

-13.04
27 RMRCRIELRAK

3.77

-16.8

-13.03
28 RMRFRIELRAM

3.89

-16.91

-13.02
29 RMRCRIDLRNM

4.3

-17.23

-12.93
30 RMRCRIDLRNK

4.45

-17.28

-12.83

 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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