Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_1ZUU-28.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 8.738 ΔGbinding 41.679
TOTAL
 50.417
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 1.755
Van der Waals -6.096 Backbone clash 13.577
Electrostatics 0.435 Helix dipole 0.000
Solvation Polar 7.233 Water bridges 0.085
Solvation Hyd -7.754 Disulfide 0.000
VdW clashes 42.400 Electrost. Kon 0.421
Entropy sc 0.776 Part.cov.bonds 0.000
Entropy mc

3.699

 ΔGstability

70.735
       

Predicted ligand sequences for model [BZZ1-D1_1ZUU-28.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_1ZUU-28.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPRKRHHRGR 0.0
2 RPRIRHHRGR 0.04
3 RPHKRHHRGR 0.04
4 RPPKRHHRGR 0.07
5 RPHIRHHRGR 0.09
6 RPPIRHHRGR 0.12
7 RPRKRFHRGR 0.13
8 RPRKRGHRGR 0.15
9 RPHKRFHRGR 0.18
10 RPRIRFHRGR 0.18
11 RPRIRGHRGR 0.19
12 RPHKRGHRGR 0.19
13 RPRKRHHKGR 0.21
14 FPRKRHHRGR 0.21
15 RPPKRFHRGR 0.21
16 RPHIRFHRGR 0.22
17 RPPKRGHRGR 0.22
18 RPHIRGHRGR 0.24
19 FPHKRHHRGR 0.25
20 FPRIRHHRGR 0.25
21 RPHKRHHKGR 0.25
22 RPPIRFHRGR 0.25
23 RPRIRHHKGR 0.25
24 RPPIRGHRGR 0.27
25 FPPKRHHRGR 0.28
26 RPPKRHHKGR 0.28
27 MPRKRHHRGR 0.28
28 FPHIRHHRGR 0.29
29 RPHIRHHKGR 0.3
30 MPHKRHHRGR 0.32
31 MPRIRHHRGR 0.33
32 FPPIRHHRGR 0.33
33 RPPIRHHKGR 0.33
34 RPRRRHHRGR 0.33
35 FPRKRFHRGR 0.34
36 RPRKRFHKGR 0.34
37 FPRKRGHRGR 0.36
38 MPPKRHHRGR 0.36
39 RPRKRGHKGR 0.36
40 RPHRRHHRGR 0.37
41 MPHIRHHRGR 0.37
42 FPHKRFHRGR 0.38
43 RPRIRFHKGR 0.39
44 RPHKRFHKGR 0.39
45 FPRIRFHRGR 0.39
46 RPRIRGHKGR 0.4
47 MPPIRHHRGR 0.4
48 FPHKRGHRGR 0.4
49 FPRIRGHRGR 0.4
50 RPHKRGHKGR 0.4
51 FPPKRFHRGR 0.41
52 RPPRRHHRGR 0.41
53 MPRKRFHRGR 0.42
54 FPRKRHHKGR 0.42
55 RPPKRFHKGR 0.42
56 MPRKRGHRGR 0.43
57 RPPKRGHKGR 0.43
58 RPHIRFHKGR 0.43
59 FPPKRGHRGR 0.43
60 FPHIRFHRGR 0.43
61 FPHIRGHRGR 0.44
62 RPHIRGHKGR 0.45
63 FPPIRFHRGR 0.46
64 FPHKRHHKGR 0.46
65 RPPIRFHKGR 0.46
66 FPRIRHHKGR 0.46
67 MPHKRFHRGR 0.46
68 MPRIRFHRGR 0.46
69 FPPIRGHRGR 0.47
70 RPRKPHHRGR 0.47
71 RPRKRHHIGR 0.47
72 RPRRRFHRGR 0.47
73 RPRKHHHRGR 0.47
74 MPHKRGHRGR 0.47
75 MPRIRGHRGR 0.48
76 RPPIRGHKGR 0.48
77 RPRRRGHRGR 0.48
78 MPPKRFHRGR 0.49
79 MPRKRHHKGR 0.49
80 FPPKRHHKGR 0.49
81 FPHIRHHKGR 0.5
82 MPHIRFHRGR 0.5
83 RPHKHHHRGR 0.51
84 RPRIPHHRGR 0.51
85 RPRIHHHRGR 0.51
86 RPHRRFHRGR 0.51
87 RPHKRHHIGR 0.51
88 RPHKPHHRGR 0.51
89 MPPKRGHRGR 0.51
90 RPRIRHHIGR 0.52
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RPRIRGHRGR

6.08

3.94

10.02
2 RPPIRGHRGR

5.65

4.72

10.37
3 RPHIRGHRGR

6.39

4.14

10.53
4 FPHIRHHRGR

6.11

4.68

10.79
5 RPRKRFHRGR

5.06

5.78

10.84
6 RPPKRHHKGR

4.99

5.96

10.95
7 RPPIRFHRGR

6.03

5.01

11.04
8 RPPKRGHRGR

6.04

5.07

11.11
9 MPHKRHHRGR

6.07

5.17

11.24
10 RPHIRFHRGR

6.22

5.06

11.28
11 RPPIRHHRGR

6.7

4.6

11.3
12 RPHKRFHRGR

6.25

5.14

11.39
13 RPPKRHHRGR

6.31

5.25

11.56
14 FPRKRHHRGR

6.23

5.33

11.56
15 RPRIRHHKGR

6.64

5.08

11.72
16 FPRIRHHRGR

6.75

5.05

11.8
17 RPHIRHHRGR

6.48

5.32

11.8
18 MPRKRHHRGR

6.46

5.38

11.84
19 FPPKRHHRGR

6.24

5.72

11.96
20 RPRKRHHRGR

6.04

5.94

11.98
21 RPPKRFHRGR

6.13

5.87

12.0
22 RPRKRGHRGR

6.39

5.82

12.21
23 RPRIRFHRGR

7.06

5.23

12.29
24 RPRIRHHRGR

6.96

5.35

12.31
25 FPHKRHHRGR

6.17

6.22

12.39
26 RPHKRHHRGR

6.28

6.23

12.51
27 RPHKRHHKGR

6.11

6.42

12.53
28 RPHKRGHRGR

6.62

6.08

12.7
29 RPRKRHHKGR

6.14

6.84

12.98
30 RPHIRHHKGR

8.15

6.59

14.74

 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