Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_2SRC-17.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 3.567 ΔGbinding 0.685
TOTAL
 4.252
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.219
Van der Waals -4.575 Backbone clash 0.014
Electrostatics 0.427 Helix dipole 0.000
Solvation Polar 3.981 Water bridges -0.000
Solvation Hyd -7.236 Disulfide 0.000
VdW clashes 3.026 Electrost. Kon 0.599
Entropy sc 0.565 Part.cov.bonds 0.000
Entropy mc

4.954

 ΔGstability

95.481
       

Predicted ligand sequences for model [BBC1_2SRC-17.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_2SRC-17.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPWKLGHWR 0.0
2 FPWKLGRWR 0.01
3 WPWKLGHWR 0.01
4 WPWKLGRWR 0.02
5 FPWKNGHWR 0.03
6 FPWKNGRWR 0.04
7 WPWKNGHWR 0.04
8 WPWKNGRWR 0.05
9 FPWKRGHWR 0.07
10 WIWKLGHWR 0.08
11 FIWKLGHWR 0.08
12 WPWKRGHWR 0.08
13 FIWKLGRWR 0.09
14 FPWKRGRWR 0.09
15 WPWKRGRWR 0.09
16 FIWKNGHWR 0.1
17 WIWKLGRWR 0.1
18 WIWKNGHWR 0.11
19 FPFKLGHWR 0.11
20 FKWKLGHWR 0.12
21 WPFKLGHWR 0.12
22 FIWKNGRWR 0.12
23 FPFKLGRWR 0.12
24 WIWKNGRWR 0.13
25 WPFKLGRWR 0.13
26 WKWKLGHWR 0.13
27 FKWKLGRWR 0.14
28 FPLKLGHWR 0.14
29 FPFKNGHWR 0.14
30 WKWKLGRWR 0.14
31 WPFKNGHWR 0.14
32 WPLKLGHWR 0.14
33 FPLKLGRWR 0.15
34 FPFKNGRWR 0.15
35 FKWKNGHWR 0.15
36 FIWKRGHWR 0.15
37 FKWKNGRWR 0.16
38 WKWKNGHWR 0.16
39 WPLKLGRWR 0.16
40 WPFKNGRWR 0.16
41 FPLKNGHWR 0.16
42 WIWKRGHWR 0.16
43 FIWKRGRWR 0.16
44 WPLKNGHWR 0.17
45 WKWKNGRWR 0.17
46 WIWKRGRWR 0.17
47 RPWKLGHWR 0.18
48 FPFKRGHWR 0.18
49 FPLKNGRWR 0.18
50 FIFKLGHWR 0.18
51 WIFKLGHWR 0.19
52 WPLKNGRWR 0.19
53 WPFKRGHWR 0.19
54 FKWKRGHWR 0.19
55 FIFKLGRWR 0.2
56 RPWKLGRWR 0.2
57 WKWKRGHWR 0.2
58 WPFKRGRWR 0.2
59 FPFKRGRWR 0.2
60 RPWKNGHWR 0.21
61 WIFKLGRWR 0.21
62 FPWRLGHWR 0.21
63 FPLKRGHWR 0.21
64 FILKLGHWR 0.21
65 FKWKRGRWR 0.21
66 FIFKNGHWR 0.21
67 FPLKRGRWR 0.22
68 WPWRLGHWR 0.22
69 FPWKLGHIR 0.22
70 WKWKRGRWR 0.22
71 WPLKRGHWR 0.22
72 WIFKNGHWR 0.22
73 WILKLGHWR 0.22
74 FIFKNGRWR 0.23
75 RPWKNGRWR 0.23
76 FPWRLGRWR 0.23
77 WILKLGRWR 0.23
78 FKFKLGHWR 0.23
79 FILKLGRWR 0.23
80 WPWKLGHIR 0.23
81 WPLKRGRWR 0.23
82 WPWRLGRWR 0.24
83 FPWRNGHWR 0.24
84 FILKNGHWR 0.24
85 WIFKNGRWR 0.24
86 FKFKLGRWR 0.24
87 WPWKLGRIR 0.24
88 WKFKLGHWR 0.24
89 FPWKLGRIR 0.24
90 WPWRNGHWR 0.25
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FPFKLGHWR

3.29

-9.18

-5.89
2 FPWKNGHWR

3.23

-8.31

-5.08
3 WPWKNGHWR

3.18

-8.22

-5.04
4 FPWKNGRWR

3.74

-8.63

-4.89
5 FPWKLGRWR

3.66

-8.25

-4.59
6 WPWKNGRWR

3.27

-7.7

-4.43
7 FPFKLGRWR

3.22

-7.63

-4.41
8 FPFKNGHWR

3.12

-7.43

-4.31
9 FPWKRGHWR

3.17

-7.44

-4.27
10 FPLKLGHWR

3.64

-7.86

-4.22
11 WPWKRGRWR

3.33

-7.55

-4.22
12 WPFKLGHWR

3.34

-7.56

-4.22
13 FPWKLGHWR

3.42

-7.61

-4.19
14 FIWKLGRWR

4.61

-8.64

-4.03
15 WPWKRGHWR

3.11

-7.05

-3.94
16 FIWKNGRWR

4.35

-8.29

-3.94
17 FPWKRGRWR

3.81

-7.73

-3.92
18 WPWKLGHWR

3.29

-7.21

-3.92
19 WPWKLGRWR

3.49

-7.39

-3.9
20 FIWKLGHWR

4.32

-7.51

-3.19
21 WIWKLGHWR

4.4

-7.2

-2.8
22 WPFKLGRWR

4.74

-7.48

-2.74
23 WIWKNGRWR

4.92

-7.52

-2.6
24 WKWKLGRWR

3.65

-6.14

-2.49
25 FKWKLGHWR

3.4

-5.79

-2.39
26 FKWKLGRWR

3.83

-6.2

-2.37
27 WIWKNGHWR

4.54

-6.36

-1.82
28 WKWKLGHWR

4.17

-5.42

-1.25
29 WIWKLGRWR

5.92

-7.15

-1.23
30 FIWKNGHWR

6.54

-6.62

-0.08

 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