Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1ZUK3-12.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8
poly-Ala
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 1.123 ΔGbinding -0.432
TOTAL
 0.691
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.407
Van der Waals -1.915 Backbone clash 0.000
Electrostatics 0.197 Helix dipole 0.000
Solvation Polar 2.062 Water bridges -0.195
Solvation Hyd -2.811 Disulfide 0.000
VdW clashes 0.040 Electrost. Kon 0.165
Entropy sc 0.216 Part.cov.bonds 0.000
Entropy mc

1.401

 ΔGstability

7.673
       

Predicted ligand sequences for model [BBC1_1ZUK3-12.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).
 
  BBC1_1ZUK3-12.PDB  

(data)
# Predicted Sequences Value Calculate
1 RWWRRRTK 0.0
2 RWWRRRTR 0.03
3 WWWRRRTK 0.06
4 YWWRRRTK 0.06
5 RWWRRRSK 0.07
6 WWWRRRTR 0.1
7 RWWRRRSR 0.1
8 YWWRRRTR 0.1
9 YWWRRRSK 0.13
10 WWWRRRSK 0.13
11 RWWRHRTK 0.13
12 RWWRKRTK 0.14
13 RWWRKRTR 0.17
14 WWWRRRSR 0.17
15 YWWRRRSR 0.17
16 RWWRHRTR 0.17
17 YWWRHRTK 0.19
18 WWWRHRTK 0.19
19 YWWRKRTK 0.2
20 WWWRKRTK 0.2
21 RWWRHRSK 0.2
22 RWWRKRSK 0.21
23 YWWRHRTR 0.23
24 WWWRHRTR 0.23
25 WWWRKRTR 0.24
26 YWWRKRTR 0.24
27 RWWRKRSR 0.24
28 RWWRHRSR 0.24
29 YWWRHRSK 0.26
30 WWWRHRSK 0.26
31 YWWRKRSK 0.27
32 WWWRKRSK 0.27
33 RWFRRRTK 0.28
34 YWWRHRSR 0.3
35 RWWRRRWK 0.3
36 WWWRHRSR 0.3
37 YWWRKRSR 0.31
38 RWFRRRTR 0.31
39 WWWRKRSR 0.31
40 WWFRRRTK 0.34
41 YWFRRRTK 0.34
42 RWWRRRWR 0.34
43 RWFRRRSK 0.35
44 WWWRRRWK 0.36
45 YWWRRRWK 0.36
46 YWFRRRTR 0.38
47 RWFRRRSR 0.38
48 WWFRRRTR 0.38
49 WWWRRRWR 0.4
50 YWWRRRWR 0.4
51 YWFRRRSK 0.41
52 WWFRRRSK 0.41
53 RWFRHRTK 0.41
54 RWFRKRTK 0.42
55 RWWRHRWK 0.43
56 RWWRKRWK 0.44
57 WWFRRRSR 0.45
58 YWFRRRSR 0.45
59 RWFRHRTR 0.45
60 RWFRKRTR 0.46
61 RWWRHRWR 0.47
62 YWFRHRTK 0.47
63 RWWRRRTH 0.47
64 WWFRHRTK 0.47
65 YWFRKRTK 0.48
66 WWFRKRTK 0.48
67 RWFRHRSK 0.48
68 RWWRKRWR 0.48
69 WWWRHRWK 0.49
70 RWFRKRSK 0.49
71 WWWRKRWK 0.5
72 YWWRHRWK 0.5
73 WWFRHRTR 0.51
74 YWFRHRTR 0.51
75 YWWRKRWK 0.51
76 YWFRKRTR 0.52
77 WWFRKRTR 0.52
78 RWFRHRSR 0.52
79 RWFRKRSR 0.53
80 WWWRHRWR 0.53
81 YWWRHRWR 0.53
82 WWWRKRWR 0.54
83 WWWRRRTH 0.54
84 RWWRRRSH 0.54
85 YWWRRRTH 0.54
86 WWFRHRSK 0.54
87 YWWRKRWR 0.54
88 YWFRHRSK 0.54
89 YWFRKRSK 0.55
90 WWFRKRSK 0.55
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RWWRRRTK

2.68

-10.66

-7.98
2 RWWRRRTR

3.13

-9.87

-6.74
3 YWWRHRTR

2.44

-9.03

-6.59
4 WWWRRRSR

2.6

-9.14

-6.54
5 WWWRRRTK

3.41

-9.69

-6.28
6 YWWRRRTK

2.73

-8.97

-6.24
7 RWWRRRSK

2.67

-8.83

-6.16
8 RWWRKRTR

2.78

-8.91

-6.13
9 YWWRRRTR

2.81

-8.85

-6.04
10 WWWRRRTR

2.61

-8.44

-5.83
11 WWWRRRSK

2.81

-8.62

-5.81
12 RWWRKRSR

3.46

-9.01

-5.55
13 YWWRRRSR

2.71

-8.18

-5.47
14 WWWRKRTK

3.35

-8.79

-5.44
15 WWWRKRTR

2.51

-7.79

-5.28
16 RWWRRRSR

3.57

-8.85

-5.28
17 YWWRKRTK

3.67

-8.68

-5.01
18 YWWRKRTR

3.25

-8.24

-4.99
19 YWWRRRSK

3.38

-8.36

-4.98
20 RWWRKRSK

3.93

-8.7

-4.77
21 RWWRKRTK

3.4

-7.87

-4.47
22 RWWRHRSK

3.08

-7.23

-4.15
23 YWWRHRTK

3.05

-7.13

-4.08
24 RWWRHRTR

3.19

-6.91

-3.72
25 RWWRHRSR

3.05

-6.7

-3.65
26 WWWRHRTK

3.13

-6.65

-3.52
27 WWWRHRSK

3.58

-6.99

-3.41
28 WWWRHRTR

3.24

-6.45

-3.21
29 RWWRHRTK

3.27

-6.33

-3.06
30 YWWRHRSK

3.78

-6.04

-2.26

 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