Predicted ligand sequences


ADAN-name: 2ASQ2.PDB (view again the scoring matrix)

PDB name: [2ASQ.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT K V D V I D L T I E S S S D
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    

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Intraclash 2.041 ΔGbinding -24.255
TOTAL
 -22.214
Backbone Hb -6.487 Cis_bond 0.000
Sidechain Hb -5.075 Torsional clash 1.677
Van der Waals -13.603 Backbone clash 1.332
Electrostatics -4.107 Helix dipole -0.004
Solvation Polar 14.457 Water bridges -0.439
Solvation Hyd -21.213 Disulfide 0.000
VdW clashes 0.773 Electrost. Kon -4.082
Entropy sc 7.239 Part.cov.bonds 0.000
Entropy mc

6.611

 ΔGstability

21.367
       

Predicted ligand sequences for template [2ASQ2.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).
 
  2ASQ2.PDB  

(data)
# Predicted Sequences Value Calculate
1 DFWIWDIVDFEDIM 0.0
2 DFWIWDIVDEEDIM 0.01
3 DFWIWDIVDFFDIM 0.01
4 DFWIWDIVDEFDIM 0.01
5 DFWIWDIVDEIDIM 0.03
6 DFWIWDIVDFIDIM 0.03
7 DFWIWDIVDMEDIM 0.06
8 DFWIWDIVDMFDIM 0.06
9 DFWIWDIVDFEDMM 0.06
10 DFWIWDIVDEEDMM 0.07
11 DFWIWDIVDFFDMM 0.07
12 DFWIWDIVDEFDMM 0.07
13 DFWIWDIVDMIDIM 0.08
14 DFWIWDIVDFIDMM 0.09
15 DFWIWDIVDEIDMM 0.09
16 DFWIWDIVDMEDMM 0.12
17 DFWIWDIVDMFDMM 0.12
18 DFWIWDIVDMIDMM 0.14
19 EFWIWDIVDEEDIM 0.16
20 EFWIWDIVDFEDIM 0.16
21 EFWIWDIVDFFDIM 0.16
22 MFWIWDIVDFFDIM 0.17
23 MFWIWDIVDEEDIM 0.17
24 EFWIWDIVDEFDIM 0.17
25 MFWIWDIVDFEDIM 0.17
26 MFWIWDIVDEFDIM 0.18
27 EFWIWDIVDFIDIM 0.18
28 MFWIWDIVDFIDIM 0.19
29 EFWIWDIVDEIDIM 0.19
30 MFWIWDIVDEIDIM 0.2
31 DFWIWDIVDFFDDM 0.21
32 DFWIWDIVDFEDDM 0.21
33 DFWIWDIVDFENIM 0.21
34 EFWIWDIVDMEDIM 0.21
35 EFWIWDIVDFFDMM 0.22
36 DFWIWDIVDEFNIM 0.22
37 MFWIWDIVDMEDIM 0.22
38 DFWIWDIVDEFDDM 0.22
39 DFWIWDIVDEENIM 0.22
40 EFWIWDIVDMFDIM 0.22
41 DFWIWDIVDEEDDM 0.22
42 DFWIWDIVDFFNIM 0.22
43 EFWIWDIVDFEDMM 0.22
44 MFWIWDIVDFFDMM 0.23
45 EFWIWDIVDEEDMM 0.23
46 DFWIWDIVDFIDDM 0.23
47 MFWIWDIVDFEDMM 0.23
48 MFWIWDIVDEEDMM 0.23
49 MFWIWDIVDMFDIM 0.23
50 EFWIWDIVDEFDMM 0.23
51 EFWIWDIVDMIDIM 0.24
52 MFWIWDIVDEFDMM 0.24
53 DFWIWDIVDFINIM 0.24
54 EFWIWDIVDFIDMM 0.24
55 DFWIWDIVDEIDDM 0.24
56 DFWIWDIVDEINIM 0.24
57 DTWIWDIVDFEDIM 0.25
58 DRWIWDIVDFEDIM 0.25
59 DTWIWDIVDFFDIM 0.25
60 MFWIWDIVDFIDMM 0.25
61 EFWIWDIVDEIDMM 0.25
62 MFWIWDIVDMIDIM 0.25
63 DTWIWDIVDEEDIM 0.25
64 DRWIWDIVDFFDIM 0.26
65 DRWIWDIVDEEDIM 0.26
66 DTWIWDIVDEFDIM 0.26
67 DRWIWDIVDEFDIM 0.26
68 DFWIWDIVDMEDDM 0.26
69 MFWIWDIVDEIDMM 0.26
70 DFWIWDIVDMFDDM 0.27
71 EFWIWDIVDMEDMM 0.27
72 DTWIWDIVDFIDIM 0.27
73 DFWIWDIVDMENIM 0.27
74 DFWIWDIVDFENMM 0.27
75 DFWIWDIVDMFNIM 0.27
76 DFWIWDIVDEENMM 0.28
77 DFWIWDIVDEFNMM 0.28
78 DTWIWDIVDEIDIM 0.28
79 MFWIWDIVDMEDMM 0.28
80 DFWIWDIVDFFNMM 0.28
81 EFWIWDIVDMFDMM 0.28
82 DRWIWDIVDFIDIM 0.28
83 DRWIWDIVDEIDIM 0.28
84 DFWIWDIVDFEDIE 0.28
85 DFWIWDIVDEEDIE 0.29
86 DFWIWDIVDMIDDM 0.29
87 DFWIWDIVDFFDIE 0.29
88 DFWIWDIVDMINIM 0.29
89 DFWIWDIVDEFDIE 0.29
90 MFWIWDIVDMFDMM 0.29
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DFWIWDIVDMIDMM

2.08

-27.74

-25.66
2 DFWIWDIVDFFDIM

2.06

-27.25

-25.19
3 DFWIWDIVDFIDMM

1.91

-25.63

-23.72
4 MFWIWDIVDFFDIM

2.79

-25.31

-22.52
5 DFWIWDIVDEEDMM

4.64

-19.83

-15.19
6 DFWIWDIVDFFDMM

5.18

-19.75

-14.57
7 EFWIWDIVDFIDIM

6.26

-18.74

-12.48
8 EFWIWDIVDEFDIM

6.27

-18.55

-12.28
9 DFWIWDIVDFEDMM

6.87

-18.84

-11.97
10 DFWIWDIVDEIDIM

8.26

-20.13

-11.87
11 DFWIWDIVDEIDMM

7.05

-18.79

-11.74
12 EFWIWDIVDFFDIM

5.68

-16.81

-11.13
13 DFWIWDIVDFEDIM

5.57

-16.67

-11.1
14 MFWIWDIVDEEDIM

7.52

-18.45

-10.93
15 EFWIWDIVDEEDIM

6.2

-16.7

-10.5
16 EFWIWDIVDFEDIM

4.69

-15.09

-10.4
17 DFWIWDIVDEFDMM

8.27

-18.21

-9.94
18 DFWIWDIVDFIDIM

7.75

-17.13

-9.38
19 DFWIWDIVDMEDMM

8.48

-17.76

-9.28
20 MFWIWDIVDEIDIM

7.47

-16.71

-9.24
21 EFWIWDIVDEIDIM

6.66

-15.84

-9.18
22 DFWIWDIVDEEDIM

4.1

-13.25

-9.15
23 DFWIWDIVDMFDMM

5.86

-14.73

-8.87
24 MFWIWDIVDEFDIM

3.7

-12.14

-8.44
25 MFWIWDIVDFIDIM

3.75

-11.98

-8.23
26 MFWIWDIVDFEDIM

4.39

-12.17

-7.78
27 DFWIWDIVDMEDIM

6.38

-12.61

-6.23
28 DFWIWDIVDMIDIM

8.71

-14.59

-5.88
29 DFWIWDIVDEFDIM

4.34

-9.94

-5.6
30 DFWIWDIVDMFDIM

9.06

-12.94

-3.88

 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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