Predicted ligand sequences


ADAN-name: 2OQ13.PDB (view again the scoring matrix)

PDB name: [2OQ1.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT N Q L y N E L N L G R
position 1 2 3 4 5 6 7 8 9 10 11
poly-Ala A
A
 A
y
 A
A
A
 A A
G
 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 3.544 ΔGbinding -11.670
TOTAL
 -8.126
Backbone Hb -5.200 Cis_bond 0.000
Sidechain Hb -4.290 Torsional clash 0.100
Van der Waals -11.870 Backbone clash 1.530
Electrostatics -4.150 Helix dipole -0.250
Solvation Polar 18.130 Water bridges -0.610
Solvation Hyd -12.580 Disulfide 0.000
VdW clashes 0.520 Electrost. Kon -1.660
Entropy sc 5.070 Part.cov.bonds 0.000
Entropy mc

5.120

 ΔGstability

61.550
       

Predicted ligand sequences for template [2OQ13.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).
 
  2OQ13.PDB  

(data)
# Predicted Sequences Value Calculate
1 LDsyFyMMFWD 0.0
2 LDsyFyMMFHD 0.02
3 LDsyFyMMFLD 0.04
4 LDsyyyMMFWD 0.05
5 LDsyFyMMYWD 0.07
6 LDsyIyMMFWD 0.08
7 LDsyyyMMFHD 0.08
8 LDsyyyMMFLD 0.09
9 LDsyFyMMYHD 0.09
10 LDsyFyMMFWM 0.09
11 LDsyIyMMFHD 0.11
12 LDsyFyMMYLD 0.11
13 LDsyyyMMYWD 0.12
14 LDsyIyMMFLD 0.12
15 LDsyFyMMFHM 0.12
16 LDsyFyMMFLM 0.13
17 LDsyFEMMFWD 0.14
18 LDsyyyMMFWM 0.14
19 LDsyFsMMFWD 0.14
20 LDsyFyMMKWD 0.15
21 LDsyyyMMYHD 0.15
22 LDsyIyMMYWD 0.15
23 LDsyFyMMYWM 0.16
24 LDsyFsMMFHD 0.16
25 LDsyyyMMYLD 0.16
26 LDsyFyMMKHD 0.17
27 LDsyFEMMFHD 0.17
28 PDsyFyMMFWD 0.17
29 LDsyyyMMFHM 0.17
30 LDsyIyMMFWM 0.18
31 LDsyIyMMYHD 0.18
32 LDsyFsMMFLD 0.18
33 LDsyyyMMFLM 0.19
34 LDsyFyMMYHM 0.19
35 LDsyysMMFWD 0.19
36 PDsyFyMMFHD 0.19
37 LDsyFyMMKLD 0.19
38 LDsyFEMMFLD 0.19
39 LDsyIyMMYLD 0.19
40 LDsyIyMMFHM 0.2
41 LDsyyyMMKWD 0.2
42 LDsyyEMMFWD 0.2
43 LDsyFyMMYLM 0.2
44 PDsyFyMMFLD 0.21
45 LDsyFsMMYWD 0.21
46 LDsyFEMMYWD 0.21
47 LDsyyyMMYWM 0.21
48 PDsyyyMMFWD 0.22
49 LDsyyyMMKHD 0.22
50 LDsyyEMMFHD 0.22
51 LDsyIyMMFLM 0.22
52 LDsyIsMMFWD 0.22
53 LDsyysMMFHD 0.22
54 LDsyIEMMFWD 0.23
55 LDsyIyMMKWD 0.23
56 LDsyysMMFLD 0.23
57 LDsyFsMMFWM 0.23
58 LDsyFsMMYHD 0.23
59 LDsyFEMMFWM 0.24
60 LDsyyEMMFLD 0.24
61 LDsyFyMMKWM 0.24
62 LDsyFEMMYHD 0.24
63 PDsyFyMMYWD 0.24
64 LDsyyyMMKLD 0.24
65 LDsyyyMMYHM 0.24
66 LDsyFEMMYLD 0.25
67 LDsyIyMMKHD 0.25
68 LDsyFsMMYLD 0.25
69 LDsyyyMMYLM 0.25
70 LDsyIEMMFHD 0.25
71 PDsyIyMMFWD 0.25
72 PDsyyyMMFHD 0.25
73 LDsyIsMMFHD 0.25
74 LDsyIyMMYWM 0.25
75 PDsyyyMMFLD 0.26
76 LDsyIsMMFLD 0.26
77 LDsyFyMMKHM 0.26
78 LDsyFsMMFHM 0.26
79 LDsyFEMMFHM 0.26
80 PDsyFyMMFWM 0.26
81 LDsyysMMYWD 0.26
82 PDsyFyMMYHD 0.26
83 LDsyyEMMYWD 0.27
84 LDsyIyMMYHM 0.27
85 LDsyIyMMKLD 0.27
86 LDsyFsMMFLM 0.27
87 LDsyIEMMFLD 0.27
88 LDsyFEMMFLM 0.28
89 LDsyysMMFWM 0.28
90 PDsyFyMMYLD 0.28
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 LDsyFyMMYWM

3.45

-19.14

-15.69
2 LDsyyyMMFHD

3.13

-18.72

-15.59
3 LDsyFyMMFHD

3.44

-19.02

-15.58
4 LDsyFyMMFLD

3.39

-18.83

-15.44
5 LDsyFyMMYHD

3.32

-18.66

-15.34
6 LDsyyyMMFLD

3.33

-18.62

-15.29
7 LDsyFyMMKHD

3.62

-18.87

-15.25
8 PDsyFyMMFWD

3.35

-18.55

-15.2
9 LDsyIyMMYWD

3.48

-18.27

-14.79
10 LDsyFsMMFHD

3.53

-18.24

-14.71
11 LDsyFyMMKWD

3.75

-18.44

-14.69
12 LDsyIyMMFWD

3.65

-18.18

-14.53
13 LDsyFyMMYWD

3.52

-17.86

-14.34
14 LDsyyyMMFWD

3.92

-18.24

-14.32
15 LDsyFEMMFHD

4.09

-18.33

-14.24
16 LDsyFsMMFWD

3.23

-17.41

-14.18
17 LDsyFyMMFWM

3.67

-17.74

-14.07
18 LDsyIyMMFLD

4.37

-18.38

-14.01
19 LDsyyyMMYHD

3.9

-17.9

-14.0
20 LDsyIyMMFWM

3.62

-17.51

-13.89
21 LDsyFyMMFWD

4.05

-17.83

-13.78
22 LDsyyyMMFHM

3.19

-16.96

-13.77
23 LDsyyyMMYWD

3.42

-17.09

-13.67
24 LDsyyyMMFWM

3.86

-16.66

-12.8
25 LDsyFyMMFHM

3.21

-15.22

-12.01
26 LDsyIyMMFHD

3.53

-15.34

-11.81
27 LDsyFEMMFWD

3.32

-13.86

-10.54
28 LDsyFyMMYLD

3.98

-14.48

-10.5
29 LDsyFyMMFLM

3.32

-13.35

-10.03
30 LDsyyyMMYLD

3.15

-13.13

-9.98

 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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