Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_2SRC-27.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
 G 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 2.328 ΔGbinding -3.330
TOTAL
 -1.002
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.319
Van der Waals -3.930 Backbone clash 0.143
Electrostatics -0.302 Helix dipole 0.000
Solvation Polar 4.095 Water bridges 0.000
Solvation Hyd -5.681 Disulfide 0.000
VdW clashes 2.578 Electrost. Kon -0.414
Entropy sc 0.919 Part.cov.bonds 0.000
Entropy mc

1.637

 ΔGstability

88.539
       

Predicted ligand sequences for model [BBC1_2SRC-27.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-27.PDB  

(data)
# Predicted Sequences Value Calculate
1 WKKRPEPRK 0.0
2 WKKRPPPRK 0.0
3 WKKRPDPRK 0.01
4 WKKRPEPRW 0.05
5 WKKRPPPRW 0.05
6 WRKRPPPRK 0.06
7 WKKRPDPRW 0.06
8 WRKRPEPRK 0.06
9 WRKRPDPRK 0.07
10 WKKRPEPRA 0.08
11 WKKRPPPRA 0.08
12 WKKRPDPRA 0.09
13 WRKRPPPRW 0.1
14 WRKRPEPRW 0.1
15 WRKRPDPRW 0.11
16 WRKRPPPRA 0.14
17 WRKRPEPRA 0.14
18 WRKRPDPRA 0.15
19 WKKRPEWRK 0.16
20 WKKRPPWRK 0.16
21 WNKRPEPRK 0.17
22 WNKRPPPRK 0.17
23 WKKRPDWRK 0.17
24 WKKRPPFRK 0.18
25 WKKRPEFRK 0.18
26 WNKRPDPRK 0.18
27 WKKRPDFRK 0.19
28 WKKRPEWRW 0.21
29 WKKRPPWRW 0.21
30 WKHRPPPRK 0.22
31 WRKRPPWRK 0.22
32 WKKRPDWRW 0.22
33 FKKRPPPRK 0.22
34 WNKRPEPRW 0.22
35 WNKRPPPRW 0.22
36 WKHRPEPRK 0.22
37 FKKRPEPRK 0.22
38 WRKRPEWRK 0.22
39 WRKRPDWRK 0.23
40 FKKRPDPRK 0.23
41 WKKRPPFRW 0.23
42 WKKRPEFRW 0.23
43 WKHRPDPRK 0.23
44 WNKRPDPRW 0.23
45 WRKRPEFRK 0.24
46 WRKRPPFRK 0.24
47 WKKRPDFRW 0.24
48 WKRRPEPRK 0.24
49 WKRRPPPRK 0.24
50 WKKRPEWRA 0.25
51 WKKRPPWRA 0.25
52 WRKRPDFRK 0.25
53 WKRRPDPRK 0.25
54 WNKRPPPRA 0.26
55 WKKRPDWRA 0.26
56 WNKRPEPRA 0.26
57 WRHRPPPRK 0.27
58 WKHRPPPRW 0.27
59 FKKRPPPRW 0.27
60 WKKRPPFRA 0.27
61 WRKRPPWRW 0.27
62 WKKRPEFRA 0.27
63 WNKRPDPRA 0.27
64 WRHRPEPRK 0.27
65 WKHRPEPRW 0.27
66 FKKRPEPRW 0.27
67 WRKRPEWRW 0.27
68 WKKRPDFRA 0.28
69 WRKRPDWRW 0.28
70 FKKRPDPRW 0.28
71 WRHRPDPRK 0.28
72 FRKRPEPRK 0.28
73 WKHRPDPRW 0.28
74 FRKRPPPRK 0.28
75 WRKRPEFRW 0.29
76 WRKRPPFRW 0.29
77 WRRRPEPRK 0.29
78 WRRRPPPRK 0.29
79 WKRRPEPRW 0.29
80 WKKRPPPWK 0.29
81 FRKRPDPRK 0.29
82 WKRRPPPRW 0.29
83 WKKRPEPWK 0.29
84 FKKRPPPRA 0.3
85 WKHRPPPRA 0.3
86 WKKRPDPWK 0.3
87 WRKRPPWRA 0.3
88 WRKRPDFRW 0.3
89 WRRRPDPRK 0.3
90 WKRRPDPRW 0.3
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 WRKRPPPRA

4.29

-9.39

-5.1
2 WRKRPEPRK

4.5

-8.53

-4.03
3 WKKRPPPRW

4.3

-8.19

-3.89
4 WKHRPPPRK

4.27

-7.91

-3.64
5 WRKRPPPRW

4.32

-7.92

-3.6
6 WNKRPEPRK

4.22

-7.49

-3.27
7 WNKRPDPRK

4.22

-7.44

-3.22
8 WRKRPDPRA

4.59

-7.72

-3.13
9 WRKRPDPRK

5.2

-8.3

-3.1
10 WKKRPDPRK

4.11

-6.94

-2.83
11 WKKRPEWRK

4.52

-7.33

-2.81
12 WKKRPDPRW

4.22

-7.0

-2.78
13 WRKRPEPRA

6.38

-9.15

-2.77
14 WRKRPPPRK

5.28

-8.01

-2.73
15 WKKRPDWRK

5.23

-7.43

-2.2
16 WKKRPEPRA

5.72

-7.86

-2.14
17 WKKRPPPRK

5.38

-7.43

-2.05
18 WKKRPPPRA

6.52

-8.47

-1.95
19 WKKRPEPRK

6.2

-7.8

-1.6
20 WKKRPPWRW

7.1

-8.59

-1.49
21 WKKRPPWRK

4.8

-6.21

-1.41
22 WKKRPEFRK

5.48

-6.79

-1.31
23 WKKRPDFRK

6.72

-8.02

-1.3
24 WRKRPDPRW

7.33

-8.46

-1.13
25 WRKRPEPRW

6.48

-7.5

-1.02
26 WNKRPPPRK

7.58

-8.39

-0.81
27 WKKRPEWRW

5.63

-6.36

-0.73
28 WKKRPEPRW

7.44

-8.02

-0.58
29 WKKRPPFRK

6.54

-7.09

-0.55
30 WKKRPDPRA

8.24

-7.98

0.26

 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.

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