Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1TG0-20.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    

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Intraclash 1.585 ΔGbinding -0.594
TOTAL
 0.991
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.195
Van der Waals -4.529 Backbone clash 0.089
Electrostatics 0.715 Helix dipole 0.000
Solvation Polar 3.855 Water bridges 0.000
Solvation Hyd -7.090 Disulfide 0.000
VdW clashes 0.470 Electrost. Kon 0.827
Entropy sc 0.528 Part.cov.bonds 0.000
Entropy mc

4.436

 ΔGstability

12.736
       

Predicted ligand sequences for model [BBC1_1TG0-20.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).
 
  BBC1_1TG0-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 WPKKRGRRR 0.0
2 WPKKRGKRR 0.01
3 WPKRRGRRR 0.02
4 WPKRRGKRR 0.03
5 WPRKRGRRR 0.03
6 WPRKRGKRR 0.04
7 WPRRRGRRR 0.05
8 WPFKRGRRR 0.06
9 WPRRRGKRR 0.06
10 FPKKRGRRR 0.07
11 WPFKRGKRR 0.07
12 FPKKRGKRR 0.08
13 WPFRRGRRR 0.09
14 WKKKRGRRR 0.1
15 WPFRRGKRR 0.1
16 FPKRRGKRR 0.1
17 FPRKRGRRR 0.1
18 FPKRRGRRR 0.1
19 FPRKRGKRR 0.11
20 WKKKRGKRR 0.11
21 WPKKRGMRR 0.12
22 WKKRRGRRR 0.12
23 FPRRRGRRR 0.12
24 FPRRRGKRR 0.13
25 WKRKRGRRR 0.13
26 WKKRRGKRR 0.14
27 FPFKRGRRR 0.14
28 WKRKRGKRR 0.14
29 WPRKRGMRR 0.15
30 WPKRRGMRR 0.15
31 FPFKRGKRR 0.15
32 WKRRRGRRR 0.15
33 FPFRRGRRR 0.16
34 WKRRRGKRR 0.16
35 WPRRRGMRR 0.17
36 FPFRRGKRR 0.17
37 WKFKRGRRR 0.17
38 FKKKRGRRR 0.18
39 WKFKRGKRR 0.18
40 WKFRRGRRR 0.19
41 WPFKRGMRR 0.19
42 FKKKRGKRR 0.19
43 FPKKRGMRR 0.2
44 FKRKRGRRR 0.2
45 WKFRRGKRR 0.2
46 FKKRRGRRR 0.2
47 FKKRRGKRR 0.21
48 FKRKRGKRR 0.21
49 WPFRRGMRR 0.21
50 FPKRRGMRR 0.22
51 FPRKRGMRR 0.23
52 FKRRRGRRR 0.23
53 WPKKRGRHR 0.23
54 WKKKRGMRR 0.23
55 FKFKRGRRR 0.24
56 WPKKRGKHR 0.24
57 FKRRRGKRR 0.24
58 WPKRRGRHR 0.25
59 FPRRRGMRR 0.25
60 FKFKRGKRR 0.25
61 WKKRRGMRR 0.25
62 WKRKRGMRR 0.26
63 WPRKRGRHR 0.26
64 WPKRRGKHR 0.26
65 FKFRRGRRR 0.26
66 FPFKRGMRR 0.26
67 WPRKRGKHR 0.27
68 FKFRRGKRR 0.27
69 WKRRRGMRR 0.28
70 FPFRRGMRR 0.28
71 WPRRRGRHR 0.28
72 WPRRRGKHR 0.29
73 WKFKRGMRR 0.29
74 FKKKRGMRR 0.3
75 WPFKRGRHR 0.3
76 FPKKRGRHR 0.31
77 WPFKRGKHR 0.31
78 WKFRRGMRR 0.31
79 WPFRRGRHR 0.32
80 FPKKRGKHR 0.32
81 FKKRRGMRR 0.32
82 FPKRRGRHR 0.33
83 FPRKRGRHR 0.33
84 FKRKRGMRR 0.33
85 WPFRRGKHR 0.33
86 FPKRRGKHR 0.34
87 FPRKRGKHR 0.34
88 WKKKRGRHR 0.34
89 WKKKRGKHR 0.35
90 FKRRRGMRR 0.35
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 WPRKRGMRR

2.74

-12.71

-9.97
2 WPFKRGRRR

2.9

-12.52

-9.62
3 WPKRRGKRR

2.99

-12.43

-9.44
4 WKRKRGKRR

3.07

-12.48

-9.41
5 WPKKRGMRR

2.96

-12.27

-9.31
6 WPRRRGKRR

3.18

-12.47

-9.29
7 WPFRRGKRR

3.04

-12.18

-9.14
8 FPKRRGRRR

3.86

-12.81

-8.95
9 WPKRRGRRR

3.17

-11.53

-8.36
10 WPKKRGKRR

3.14

-11.41

-8.27
11 WPFKRGKRR

2.83

-10.99

-8.16
12 WPRKRGRRR

2.68

-10.82

-8.14
13 FPKRRGKRR

2.86

-10.94

-8.08
14 WPFRRGRRR

3.26

-11.24

-7.98
15 FPRKRGRRR

4.05

-11.95

-7.9
16 WKRKRGRRR

3.15

-11.03

-7.88
17 FPFKRGRRR

3.74

-11.61

-7.87
18 FPKKRGRRR

3.33

-11.13

-7.8
19 WPRRRGRRR

3.02

-10.8

-7.78
20 WPRKRGKRR

2.54

-10.27

-7.73
21 FPKKRGKRR

3.79

-11.5

-7.71
22 FPRKRGKRR

2.79

-10.44

-7.65
23 FPRRRGKRR

3.59

-11.11

-7.52
24 FPRRRGRRR

3.17

-10.58

-7.41
25 WKKRRGKRR

3.32

-10.29

-6.97
26 WPKKRGRRR

3.01

-9.89

-6.88
27 WKKKRGRRR

2.79

-9.66

-6.87
28 WPKRRGMRR

3.13

-9.77

-6.64
29 WKKRRGRRR

3.12

-9.26

-6.14
30 WKKKRGKRR

3.23

-8.68

-5.45

 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.

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