Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_2A28-23.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

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    

(Help)

Intraclash 2.394 ΔGbinding 0.649
TOTAL
 3.043
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.247
Van der Waals -2.005 Backbone clash 0.000
Electrostatics -0.110 Helix dipole 0.000
Solvation Polar 2.120 Water bridges -0.096
Solvation Hyd -2.586 Disulfide 0.000
VdW clashes 1.834 Electrost. Kon -0.120
Entropy sc 0.250 Part.cov.bonds 0.000
Entropy mc

1.115

 ΔGstability

18.078
       

Predicted ligand sequences for model [BZZ1-D2_2A28-23.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_2A28-23.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPRAPRH 0.0
2 RPRAPRM 0.01
3 RRRAPRH 0.04
4 RRRAPRM 0.06
5 RKRAPRH 0.14
6 RKRAPRM 0.15
7 RPRAPRF 0.18
8 RPRAPRW 0.21
9 RRRAPRF 0.22
10 RPRARRH 0.24
11 RRRAPRW 0.25
12 RPRARRM 0.25
13 RERAPRH 0.27
14 RPRPPRH 0.28
15 RRRARRH 0.28
16 RRRARRM 0.29
17 RERAPRM 0.29
18 RPRPPRM 0.3
19 RPRAERH 0.3
20 RPRAERM 0.31
21 RRRPPRH 0.32
22 RKRAPRF 0.32
23 RRRPPRM 0.34
24 RRRAERH 0.34
25 RRRAERM 0.35
26 RKRAPRW 0.35
27 RKRARRH 0.37
28 RKRARRM 0.39
29 RKRPPRH 0.42
30 RPRARRF 0.42
31 RKRPPRM 0.44
32 RKRAERH 0.44
33 RERAPRF 0.45
34 RKRAERM 0.45
35 RPRARRW 0.45
36 RRRARRF 0.46
37 RPRPPRF 0.46
38 RPRAERF 0.48
39 RPRAKRH 0.48
40 RERAPRW 0.48
41 RRRARRW 0.49
42 RPRAKRM 0.49
43 RRRPPRF 0.5
44 RPRPPRW 0.5
45 RERARRH 0.51
46 RPRAERW 0.51
47 RPRPRRH 0.52
48 RRRAERF 0.52
49 RRRAKRH 0.52
50 RERARRM 0.53
51 RRRAKRM 0.53
52 RRRPPRW 0.54
53 RPRPRRM 0.54
54 RRRAERW 0.55
55 RKRARRF 0.55
56 RRRPRRH 0.56
57 RERPPRH 0.56
58 RERPPRM 0.57
59 RERAERH 0.57
60 RRRPRRM 0.58
61 RPRPERH 0.58
62 RKRARRW 0.59
63 RERAERM 0.59
64 RPRPERM 0.6
65 RKRPPRF 0.6
66 RKRAKRH 0.61
67 RRRPERH 0.62
68 RKRAERF 0.62
69 RKRAKRM 0.63
70 RKRPPRW 0.63
71 RRRPERM 0.64
72 RKRAERW 0.65
73 RKRPRRH 0.66
74 RPRAKRF 0.66
75 RKRPRRM 0.67
76 RPRAKRW 0.69
77 RERARRF 0.69
78 RPRPRRF 0.7
79 RRRAKRF 0.7
80 RERARRW 0.72
81 RKRPERH 0.72
82 RKRPERM 0.73
83 RPRPRRW 0.73
84 RRRAKRW 0.73
85 RRRPRRF 0.74
86 RERPPRF 0.74
87 RERAKRH 0.75
88 RERAERF 0.75
89 RPRPERF 0.76
90 RPRPKRH 0.76
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRRARRM

2.38

-4.43

-2.05
2 RRRAERM

2.43

-4.24

-1.81
3 RPRAPRW

2.52

-4.32

-1.8
4 RPRAERH

2.05

-3.83

-1.78
5 RRRPPRM

3.22

-4.98

-1.76
6 RRRAPRH

2.23

-3.97

-1.74
7 RERAPRH

1.94

-3.55

-1.61
8 RRRAPRW

2.74

-4.3

-1.56
9 RRRAERH

2.25

-3.78

-1.53
10 RKRAPRM

2.26

-3.71

-1.45
11 RKRAPRW

2.47

-3.89

-1.42
12 RRRAPRF

2.48

-3.83

-1.35
13 RRRAPRM

2.49

-3.83

-1.34
14 RPRARRF

2.54

-3.78

-1.24
15 RPRAPRM

2.69

-3.92

-1.23
16 RPRARRH

2.59

-3.81

-1.22
17 RPRAPRH

2.01

-3.2

-1.19
18 RERAPRM

2.29

-3.43

-1.14
19 RRRARRH

2.7

-3.82

-1.12
20 RKRARRH

2.66

-3.78

-1.12
21 RKRAPRF

2.27

-3.27

-1.0
22 RPRAERM

2.28

-3.25

-0.97
23 RKRARRM

2.7

-3.63

-0.93
24 RPRARRM

2.99

-3.89

-0.9
25 RKRPPRH

2.03

-2.76

-0.73
26 RKRAPRH

2.06

-2.74

-0.68
27 RRRPPRH

2.42

-3.06

-0.64
28 RPRAPRF

2.34

-2.89

-0.55
29 RPRPPRM

3.23

-2.56

0.67
30 RPRPPRH

3.17

-2.03

1.14

 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