Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_2SRC-1.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    

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Intraclash 5.915 ΔGbinding -1.810
TOTAL
 4.105
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 1.003
Van der Waals -4.234 Backbone clash 0.254
Electrostatics -0.365 Helix dipole 0.000
Solvation Polar 3.529 Water bridges -0.054
Solvation Hyd -6.988 Disulfide 0.000
VdW clashes 4.322 Electrost. Kon -0.499
Entropy sc 0.684 Part.cov.bonds 0.000
Entropy mc

2.068

 ΔGstability

90.158
       

Predicted ligand sequences for model [BBC1_2SRC-1.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-1.PDB  

(data)
# Predicted Sequences Value Calculate
1 YMWRKFRRRW 0.0
2 YMWKKFRRRW 0.01
3 YMFRKFRRRW 0.02
4 YMFKKFRRRW 0.04
5 YMWRRFRRRW 0.07
6 YMWKRFRRRW 0.08
7 YMWRKLRRRW 0.09
8 YMFRRFRRRW 0.09
9 YMFKRFRRRW 0.11
10 YMWKKLRRRW 0.11
11 YMFRKLRRRW 0.12
12 YMFKKLRRRW 0.13
13 YMYRKFRRRW 0.13
14 YMYKKFRRRW 0.14
15 YMWRRLRRRW 0.16
16 YMWKRLRRRW 0.18
17 YMWRKFRDRW 0.18
18 YMFRRLRRRW 0.19
19 YMWRKFRRRY 0.19
20 YMWKKFRDRW 0.19
21 YMYRRFRRRW 0.2
22 YMFKRLRRRW 0.2
23 YMFRKFRDRW 0.2
24 YMYKRFRRRW 0.21
25 YMWKKFRRRY 0.21
26 YMFKKFRDRW 0.22
27 YMYRKLRRRW 0.22
28 YMFRKFRRRY 0.22
29 YMWRKFRERW 0.22
30 YMWDKFRRRW 0.23
31 YMFKKFRRRY 0.23
32 YMYKKLRRRW 0.23
33 YMWKKFRERW 0.24
34 FMWRKFRRRW 0.24
35 YMFRKFRERW 0.25
36 YMWRRFRDRW 0.25
37 YMWKRFRDRW 0.26
38 YMFDKFRRRW 0.26
39 YMWRRFRRRY 0.26
40 YMFKKFRERW 0.26
41 FMWKKFRRRW 0.26
42 YMWRKLRDRW 0.27
43 FMFRKFRRRW 0.27
44 YMFRRFRDRW 0.27
45 YMWKRFRRRY 0.28
46 FMFKKFRRRW 0.28
47 YMWRKLRRRY 0.29
48 YMWRRFRERW 0.29
49 YMWKKLRDRW 0.29
50 YMFKRFRDRW 0.29
51 YMFRRFRRRY 0.29
52 YMYRRLRRRW 0.29
53 YMWDRFRRRW 0.3
54 YMWKRFRERW 0.3
55 YMFRKLRDRW 0.3
56 YMFKRFRRRY 0.3
57 YMWKKLRRRY 0.3
58 YMYKRLRRRW 0.3
59 FMWRRFRRRW 0.31
60 YMFRKLRRRY 0.31
61 YMFKKLRDRW 0.31
62 YMYRKFRDRW 0.31
63 YMWRKFRRIW 0.31
64 YMYRKFRRRY 0.32
65 YMFRRFRERW 0.32
66 YMYKKFRDRW 0.32
67 YMWRKLRERW 0.32
68 YMFKKLRRRY 0.33
69 FMWRKLRRRW 0.33
70 YMWKKFRRIW 0.33
71 YMWKKLRERW 0.33
72 FMWKRFRRRW 0.33
73 YMFDRFRRRW 0.33
74 YMFKRFRERW 0.33
75 YMWDKLRRRW 0.33
76 FMFRRFRRRW 0.34
77 YMFRKLRERW 0.34
78 YMYKKFRRRY 0.34
79 YMWRRLRDRW 0.34
80 YMFRKFRRIW 0.34
81 FMFKRFRRRW 0.35
82 YMFKKLRERW 0.35
83 YMFKKFRRIW 0.35
84 YMFDKLRRRW 0.35
85 FMWKKLRRRW 0.35
86 YMYRKFRERW 0.35
87 FMFRKLRRRW 0.36
88 YMYDKFRRRW 0.36
89 YMYKKFRERW 0.36
90 YMWRRLRRRY 0.36
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 YMWRKFRRRW

6.91

-14.65

-7.74
2 YMFRKFRDRW

7.3

-15.04

-7.74
3 YMYRKFRRRW

7.95

-15.38

-7.43
4 YMFRRFRRRW

8.45

-15.11

-6.66
5 YMWRKFRERW

7.93

-14.56

-6.63
6 YMWRRLRRRW

7.77

-14.05

-6.28
7 YMFRKFRRRY

9.48

-15.68

-6.2
8 YMFKKFRDRW

8.36

-14.44

-6.08
9 YMYRKLRRRW

7.87

-13.68

-5.81
10 YMFRKLRRRW

8.12

-13.88

-5.76
11 YMFKRLRRRW

7.32

-12.99

-5.67
12 YMFRRLRRRW

8.35

-14.0

-5.65
13 YMYRRFRRRW

9.19

-14.81

-5.62
14 YMWRKFRDRW

8.55

-14.12

-5.57
15 YMYKRFRRRW

8.52

-13.92

-5.4
16 YMWRKLRRRW

8.31

-13.68

-5.37
17 YMFRKFRRRW

8.9

-14.19

-5.29
18 YMWRRFRRRW

8.34

-13.62

-5.28
19 YMYKKFRRRW

8.07

-13.12

-5.05
20 YMWKKLRRRW

9.64

-14.53

-4.89
21 YMWKRFRRRW

9.22

-13.9

-4.68
22 YMWRKFRRRY

8.62

-13.15

-4.53
23 YMFKRFRRRW

8.03

-12.38

-4.35
24 YMWKKFRDRW

8.7

-12.58

-3.88
25 YMFKKFRRRW

8.06

-11.87

-3.81
26 YMFKKLRRRW

8.67

-12.42

-3.75
27 YMWKRLRRRW

9.3

-12.86

-3.56
28 YMWDKFRRRW

9.46

-12.89

-3.43
29 YMWKKFRRRW

9.2

-12.44

-3.24
30 YMWKKFRRRY

9.27

-12.45

-3.18

 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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