Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_2A28-3.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    

(Help)

Intraclash 2.562 ΔGbinding -0.756
TOTAL
 1.806
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 1.611
Van der Waals -4.249 Backbone clash 0.158
Electrostatics -0.349 Helix dipole 0.000
Solvation Polar 4.901 Water bridges -0.095
Solvation Hyd -5.960 Disulfide 0.000
VdW clashes 0.112 Electrost. Kon -0.422
Entropy sc 0.734 Part.cov.bonds 0.000
Entropy mc

2.960

 ΔGstability

19.612
       

Predicted ligand sequences for model [BZZ1-D2_2A28-3.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).
 
  BZZ1-D2_2A28-3.PDB  

(data)
# Predicted Sequences Value Calculate
1 RHGRRWWPRW 0.0
2 RHKRRWWPRW 0.02
3 RHGRRWRPRW 0.03
4 RHKRRWRPRW 0.04
5 RHGRKWWPRW 0.05
6 RHWRRWWPRW 0.06
7 RHKRKWWPRW 0.07
8 RHGRFWWPRW 0.08
9 RHGRKWRPRW 0.08
10 RHWRRWRPRW 0.09
11 RHKRKWRPRW 0.1
12 RHKRFWWPRW 0.1
13 RHGRFWRPRW 0.11
14 RHKRFWRPRW 0.12
15 RHWRKWWPRW 0.12
16 RHWRKWRPRW 0.14
17 RHWRFWWPRW 0.14
18 RHWRFWRPRW 0.17
19 RHGRRWWPRR 0.18
20 RHKRRWWPRR 0.19
21 RHGRRWWDRW 0.2
22 RHGRRWRPRR 0.2
23 RHKRRWWDRW 0.21
24 RHGRRWRDRW 0.22
25 RHKRRWRPRR 0.22
26 RPGRRWWPRW 0.23
27 RHGRKWWPRR 0.23
28 RHWRRWWPRR 0.24
29 RHKRRWRDRW 0.24
30 RHKRKWWPRR 0.25
31 RHGRKWWDRW 0.25
32 RPKRRWWPRW 0.25
33 RHGRFWWPRR 0.26
34 RHWRRWWDRW 0.26
35 RPGRRWRPRW 0.26
36 RHGRKWRPRR 0.26
37 RPKRRWRPRW 0.27
38 RHKRKWWDRW 0.27
39 RHKRKWRPRR 0.27
40 RHWRRWRPRR 0.27
41 RHKRFWWPRR 0.27
42 RHGRFWRPRR 0.28
43 RHGRKWRDRW 0.28
44 RHGRRWPPRW 0.28
45 RHGRFWWDRW 0.28
46 RHKRFWWDRW 0.29
47 RHWRKWWPRR 0.29
48 RHWRRWRDRW 0.29
49 RHKRKWRDRW 0.29
50 RPGRKWWPRW 0.29
51 RHKRRWPPRW 0.29
52 RHKRFWRPRR 0.3
53 RPKRKWWPRW 0.3
54 RPWRRWWPRW 0.3
55 RHGRRWWERW 0.3
56 RHGRFWRDRW 0.3
57 RPGRKWRPRW 0.31
58 RPGRFWWPRW 0.31
59 RHKRRWWERW 0.31
60 RHWRKWWDRW 0.32
61 RHKRFWRDRW 0.32
62 RHWRKWRPRR 0.32
63 RPWRRWRPRW 0.32
64 RHWRFWWPRR 0.32
65 RHGRRWRERW 0.32
66 RPKRKWRPRW 0.33
67 RHGRKWPPRW 0.33
68 RPKRFWWPRW 0.33
69 RHWRFWRPRR 0.34
70 RHWRRWPPRW 0.34
71 RPGRFWRPRW 0.34
72 RHKRRWRERW 0.34
73 RHWRFWWDRW 0.34
74 RHWRKWRDRW 0.34
75 RHGRKWWERW 0.35
76 RPWRKWWPRW 0.35
77 RHKRKWPPRW 0.35
78 RPKRFWRPRW 0.35
79 RHGRFWPPRW 0.36
80 RHWRRWWERW 0.36
81 RHKRKWWERW 0.37
82 RHKRFWPPRW 0.37
83 RHGRRWWDRR 0.37
84 RHWRFWRDRW 0.37
85 RPWRFWWPRW 0.38
86 RHGRFWWERW 0.38
87 RHGRKWRERW 0.38
88 RPWRKWRPRW 0.38
89 RHKRFWWERW 0.39
90 RHKRKWRERW 0.39
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RHKRRWWDRW

4.76

-13.27

-8.51
2 RHKRKWWPRW

4.97

-13.21

-8.24
3 RHWRRWWPRW

4.53

-12.15

-7.62
4 RHWRRWWPRR

4.98

-12.52

-7.54
5 RPGRRWWPRW

3.99

-11.42

-7.43
6 RHKRRWWPRW

4.79

-11.88

-7.09
7 RHWRKWWPRW

4.93

-11.92

-6.99
8 RHKRRWWPRR

4.74

-11.67

-6.93
9 RHKRRWRDRW

4.76

-11.6

-6.84
10 RHGRRWWPRW

3.87

-10.56

-6.69
11 RHKRRWRPRR

4.74

-11.38

-6.64
12 RHGRKWWPRR

4.08

-10.65

-6.57
13 RHGRRWWDRW

4.17

-10.65

-6.48
14 RHWRRWRPRW

5.81

-12.29

-6.48
15 RHGRFWWPRW

3.89

-10.21

-6.32
16 RHGRRWRPRW

4.11

-10.23

-6.12
17 RHGRRWWPRR

4.01

-9.98

-5.97
18 RHKRRWRPRW

4.87

-10.82

-5.95
19 RHKRKWWPRR

4.67

-10.58

-5.91
20 RHKRFWWPRW

4.62

-10.0

-5.38
21 RHKRFWRPRW

4.81

-10.19

-5.38
22 RHKRKWRPRW

4.66

-9.94

-5.28
23 RHWRKWRPRW

5.21

-10.47

-5.26
24 RHWRFWRPRW

4.9

-10.05

-5.15
25 RHWRFWWPRW

4.85

-9.97

-5.12
26 RHGRKWWPRW

4.08

-9.13

-5.05
27 RHGRRWRDRW

4.13

-9.16

-5.03
28 RHGRFWRPRW

4.05

-8.93

-4.88
29 RHGRKWRPRW

3.98

-8.58

-4.6
30 RHGRRWRPRR

4.06

-7.79

-3.73

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER