Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_G2B-ABO-20.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
poly-Ala A
A
A
A
 A
G
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 4.991 ΔGbinding -1.716
TOTAL
 3.275
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.400
Van der Waals -4.770 Backbone clash 0.108
Electrostatics 0.778 Helix dipole 0.000
Solvation Polar 5.416 Water bridges 0.088
Solvation Hyd -6.607 Disulfide 0.000
VdW clashes 0.825 Electrost. Kon 0.791
Entropy sc 0.754 Part.cov.bonds 0.000
Entropy mc

3.158

 ΔGstability

85.018
       

Predicted ligand sequences for model [BZZ1-D1_G2B-ABO-20.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-D1_G2B-ABO-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 FRPTMGRSP 0.0
2 FRWTMGRSP 0.03
3 FRFTMGRSP 0.03
4 MRPTMGRSP 0.1
5 WRPTMGRSP 0.12
6 MRWTMGRSP 0.13
7 MRFTMGRSP 0.13
8 FRPTRGRSP 0.13
9 WRWTMGRSP 0.15
10 WRFTMGRSP 0.15
11 FRWTRGRSP 0.16
12 FRFTRGRSP 0.16
13 FRPTMGRSR 0.19
14 FRPTEGRSP 0.2
15 FRWTMGRSR 0.22
16 FRFTMGRSR 0.22
17 MRPTRGRSP 0.23
18 FRWTEGRSP 0.23
19 FRFTEGRSP 0.23
20 WRPTRGRSP 0.25
21 MRWTRGRSP 0.26
22 MRFTRGRSP 0.26
23 WRWTRGRSP 0.28
24 WRFTRGRSP 0.28
25 MRPTMGRSR 0.29
26 WRPTMGRSR 0.31
27 MRPTEGRSP 0.31
28 MRWTMGRSR 0.32
29 MRFTMGRSR 0.32
30 FRPTRGRSR 0.32
31 WRPTEGRSP 0.33
32 MRWTEGRSP 0.33
33 WRWTMGRSR 0.34
34 MRFTEGRSP 0.34
35 WRFTMGRSR 0.34
36 WRWTEGRSP 0.35
37 FRWTRGRSR 0.35
38 FRFTRGRSR 0.35
39 WRFTEGRSP 0.36
40 FRPTMGYSP 0.38
41 FRPTEGRSR 0.39
42 FRWTMGYSP 0.41
43 FRFTMGYSP 0.41
44 FRPPMGRSP 0.41
45 MRPTRGRSR 0.42
46 FRWTEGRSR 0.42
47 FRFTEGRSR 0.42
48 FRWPMGRSP 0.43
49 WRPTRGRSR 0.44
50 FRFPMGRSP 0.44
51 MRWTRGRSR 0.45
52 FRPTMGRWP 0.45
53 MRFTRGRSR 0.45
54 WRWTRGRSR 0.47
55 WRFTRGRSR 0.47
56 MRPTMGYSP 0.48
57 FRWTMGRWP 0.48
58 FRFTMGRWP 0.48
59 MRPTEGRSR 0.5
60 WRPTMGYSP 0.5
61 MRWTMGYSP 0.51
62 MRPPMGRSP 0.51
63 FRPTRGYSP 0.51
64 MRFTMGYSP 0.51
65 WRPTEGRSR 0.52
66 MRWTEGRSR 0.52
67 WRPPMGRSP 0.53
68 WRWTMGYSP 0.53
69 MRFTEGRSR 0.53
70 WRFTMGYSP 0.53
71 WRWTEGRSR 0.54
72 MRFPMGRSP 0.54
73 FRWTRGYSP 0.54
74 FRPPRGRSP 0.54
75 FRFTRGYSP 0.54
76 MRWPMGRSP 0.54
77 WRFTEGRSR 0.55
78 MRPTMGRWP 0.55
79 WRFPMGRSP 0.56
80 WRWPMGRSP 0.56
81 WRPTMGRWP 0.57
82 FRWPRGRSP 0.57
83 FRFPRGRSP 0.57
84 FRPTMGYSR 0.57
85 FRPTEGYSP 0.58
86 MRFTMGRWP 0.58
87 MRWTMGRWP 0.58
88 FRPTRGRWP 0.58
89 FRPPMGRSR 0.59
90 WRWTMGRWP 0.6
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FRFTMGRSR

3.77

-7.9

-4.13
2 FRPTRGRSR

2.59

-6.4

-3.81
3 MRPTMGRSR

3.61

-6.93

-3.32
4 FRWTMGRSR

3.76

-7.04

-3.28
5 MRWTMGRSP

3.44

-6.05

-2.61
6 MRFTRGRSP

3.64

-5.99

-2.35
7 MRWTRGRSP

3.72

-5.96

-2.24
8 MRFTMGRSR

3.8

-5.99

-2.19
9 FRPTEGRSP

3.53

-5.68

-2.15
10 MRWTMGRSR

2.58

-4.62

-2.04
11 MRFTMGRSP

5.1

-7.1

-2.0
12 WRFTRGRSP

3.67

-5.6

-1.93
13 FRWTRGRSP

3.4

-5.32

-1.92
14 FRFTMGRSP

4.19

-6.09

-1.9
15 FRPTRGRSP

3.48

-5.34

-1.86
16 FRWTMGRSP

4.48

-6.34

-1.86
17 FRPTMGRSR

4.15

-5.95

-1.8
18 WRPTRGRSP

4.75

-6.5

-1.75
19 WRPTMGRSR

2.62

-4.37

-1.75
20 MRPTRGRSP

2.98

-4.68

-1.7
21 FRPTMGRSP

4.69

-6.23

-1.54
22 FRFTRGRSP

3.2

-4.73

-1.53
23 FRFTEGRSP

2.95

-4.36

-1.41
24 WRWTRGRSP

3.07

-4.45

-1.38
25 MRPTEGRSP

3.27

-4.54

-1.27
26 WRFTMGRSP

3.81

-4.7

-0.89
27 FRWTEGRSP

3.26

-4.04

-0.78
28 MRPTMGRSP

4.38

-5.05

-0.67
29 WRWTMGRSP

3.01

-3.17

-0.16
30 WRPTMGRSP

5.15

-4.94

0.21

 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