Predicted ligand sequences


ADAN-name: 2C0T3.PDB (view again the scoring matrix)

PDB name: [2C0T.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT C M S S K P Q K P W E K D A
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14
poly-Ala
A
A
A
A
 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    

(Help)

Intraclash 0.954 ΔGbinding -11.010
TOTAL
 -10.056
Backbone Hb -2.490 Cis_bond 0.000
Sidechain Hb -3.330 Torsional clash 0.000
Van der Waals -8.730 Backbone clash 0.570
Electrostatics -1.100 Helix dipole 0.000
Solvation Polar 9.930 Water bridges -0.980
Solvation Hyd -11.650 Disulfide 0.000
VdW clashes 0.250 Electrost. Kon -0.880
Entropy sc 5.460 Part.cov.bonds 0.000
Entropy mc

2.490

 ΔGstability

1.360
       

Predicted ligand sequences for template [2C0T3.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).
 
  2C0T3.PDB  

(data)
# Predicted Sequences Value Calculate
1 WRDDKPYRFYQMWE 0.0
2 WRDDKPWRFYQMWE 0.01
3 CRDDKPYRFYQMWE 0.02
4 WRDDKPYRFYEMWE 0.02
5 WRDDKPFRFYQMWE 0.02
6 ARDDKPYRFYQMWE 0.02
7 WKDDKPYRFYQMWE 0.03
8 WRDDKPWRFYEMWE 0.03
9 CRDDKPWRFYQMWE 0.03
10 ARDDKPWRFYQMWE 0.03
11 WDDDKPYRFYQMWE 0.03
12 ARDDKPFRFYQMWE 0.04
13 CRDDKPYRFYEMWE 0.04
14 WKDDKPWRFYQMWE 0.04
15 ARDDKPYRFYEMWE 0.04
16 WRDDKPYRFYQMWD 0.04
17 CRDDKPFRFYQMWE 0.04
18 WDDDKPWRFYQMWE 0.04
19 WRDDKPFRFYEMWE 0.04
20 WRDEKPYRFYQMWE 0.05
21 WDDDKPFRFYQMWE 0.05
22 CRDDKPWRFYEMWE 0.05
23 CKDDKPYRFYQMWE 0.05
24 AKDDKPYRFYQMWE 0.05
25 WKDDKPFRFYQMWE 0.05
26 WRDDKPWRFYQMWD 0.05
27 CDDDKPYRFYQMWE 0.05
28 ARDDKPWRFYEMWE 0.05
29 WKDDKPYRFYEMWE 0.05
30 ADDDKPYRFYQMWE 0.05
31 WDDDKPYRFYEMWE 0.05
32 ADDDKPWRFYQMWE 0.06
33 CRDDKPYRFYQMWD 0.06
34 CDDDKPWRFYQMWE 0.06
35 CRDDKPFRFYEMWE 0.06
36 WRDDKPFRFYQMWD 0.06
37 WDDDKPWRFYEMWE 0.06
38 WRDDKPYRFYEMWD 0.06
39 CKDDKPWRFYQMWE 0.06
40 ARDDKPFRFYEMWE 0.06
41 WRDEKPWRFYQMWE 0.06
42 WKDDKPWRFYEMWE 0.06
43 AKDDKPWRFYQMWE 0.06
44 ARDDKPYRFYQMWD 0.06
45 ADDDKPFRFYQMWE 0.07
46 CRDEKPYRFYQMWE 0.07
47 WKDDKPYRFYQMWD 0.07
48 CKDDKPFRFYQMWE 0.07
49 WRDLKPYRFYQMWE 0.07
50 ARDEKPYRFYQMWE 0.07
51 WRDDKPWRFYEMWD 0.07
52 CRDDKPWRFYQMWD 0.07
53 ADDDKPYRFYEMWE 0.07
54 CKDDKPYRFYEMWE 0.07
55 WRDEKPFRFYQMWE 0.07
56 AKDDKPFRFYQMWE 0.07
57 AKDDKPYRFYEMWE 0.07
58 WRDEKPYRFYEMWE 0.07
59 ARDDKPWRFYQMWD 0.07
60 CDDDKPFRFYQMWE 0.07
61 WDDDKPYRFYQMWD 0.07
62 WDDDKPFRFYEMWE 0.07
63 WKDDKPFRFYEMWE 0.07
64 CDDDKPYRFYEMWE 0.07
65 WKDEKPYRFYQMWE 0.08
66 ARDDKPFRFYQMWD 0.08
67 AKDDKPWRFYEMWE 0.08
68 CRDDKPYRFYEMWD 0.08
69 WKDDKPWRFYQMWD 0.08
70 CRDDKPFRFYQMWD 0.08
71 WDDEKPYRFYQMWE 0.08
72 WRDLKPWRFYQMWE 0.08
73 ARDDKPYRFYEMWD 0.08
74 WRDEKPWRFYEMWE 0.08
75 ADDDKPWRFYEMWE 0.08
76 CKDDKPWRFYEMWE 0.08
77 CRDEKPWRFYQMWE 0.08
78 ARDEKPWRFYQMWE 0.08
79 WDDDKPWRFYQMWD 0.08
80 WRDDKPFRFYEMWD 0.08
81 CDDDKPWRFYEMWE 0.08
82 WRDEKPYRFYQMWD 0.09
83 WDDDKPFRFYQMWD 0.09
84 WKDEKPWRFYQMWE 0.09
85 CRDDKPWRFYEMWD 0.09
86 CKDDKPFRFYEMWE 0.09
87 AKDDKPYRFYQMWD 0.09
88 WKDDKPFRFYQMWD 0.09
89 WRDLKPFRFYQMWE 0.09
90 WRDLKPYRFYEMWE 0.09
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 ARDDKPWRFYQMWE

1.27

-18.78

-17.51
2 WRDDKPFRFYQMWE

1.23

-18.12

-16.89
3 CKDDKPYRFYQMWE

1.71

-18.59

-16.88
4 WKDDKPYRFYQMWE

1.19

-18.0

-16.81
5 WDDDKPWRFYQMWE

1.4

-18.12

-16.72
6 AKDDKPYRFYQMWE

1.41

-18.12

-16.71
7 WRDDKPWRFYQMWE

1.53

-18.19

-16.66
8 CRDDKPYRFYEMWE

0.9

-17.44

-16.54
9 CDDDKPYRFYQMWE

1.18

-17.66

-16.48
10 ARDDKPWRFYEMWE

1.29

-17.75

-16.46
11 WRDDKPYRFYEMWE

1.15

-17.56

-16.41
12 WRDDKPWRFYEMWE

1.4

-17.71

-16.31
13 WRDEKPYRFYQMWE

1.61

-17.91

-16.3
14 WRDDKPYRFYQMWE

1.16

-17.4

-16.24
15 ADDDKPYRFYQMWE

1.71

-17.92

-16.21
16 ARDDKPFRFYQMWE

1.36

-17.46

-16.1
17 WDDDKPFRFYQMWE

1.14

-17.16

-16.02
18 CRDDKPYRFYQMWE

0.82

-16.79

-15.97
19 WKDDKPYRFYEMWE

1.44

-17.21

-15.77
20 WRDDKPWRFYQMWD

1.31

-17.08

-15.77
21 ARDDKPYRFYEMWE

1.01

-16.67

-15.66
22 CRDDKPFRFYQMWE

1.25

-16.88

-15.63
23 WRDDKPFRFYEMWE

1.32

-16.87

-15.55
24 WKDDKPFRFYQMWE

1.43

-16.95

-15.52
25 WKDDKPWRFYQMWE

1.77

-17.09

-15.32
26 CRDDKPWRFYQMWE

1.47

-16.76

-15.29
27 WDDDKPYRFYQMWE

1.36

-16.63

-15.27
28 WRDDKPYRFYQMWD

1.57

-16.59

-15.02
29 CRDDKPWRFYEMWE

1.28

-16.27

-14.99
30 ARDDKPYRFYQMWE

1.31

-15.74

-14.43

 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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