Predicted ligand sequences


ADAN-name: 2OQS2.PDB (view again the scoring matrix)

PDB name: [2OQS.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT R R E T Q V
position 1 2 3 4 5 6
poly-Ala 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 9.700 ΔGbinding -1.450
TOTAL
 8.250
Backbone Hb -3.990 Cis_bond 0.000
Sidechain Hb -1.750 Torsional clash 0.260
Van der Waals -9.570 Backbone clash 2.600
Electrostatics -0.890 Helix dipole 0.050
Solvation Polar 15.010 Water bridges -0.510
Solvation Hyd -11.790 Disulfide 0.000
VdW clashes 3.720 Electrost. Kon -0.730
Entropy sc 4.340 Part.cov.bonds 0.000
Entropy mc

4.400

 ΔGstability

65.760
       

Predicted ligand sequences for template [2OQS2.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).
 
  2OQS2.PDB  

(data)
# Predicted Sequences Value Calculate
1 PWMDDV 0.0
2 PWEDDV 0.06
3 PMMDDV 0.09
4 PWQDDV 0.1
5 PKMDDV 0.12
6 PMEDDV 0.14
7 PKEDDV 0.18
8 PWMDMV 0.19
9 PMQDDV 0.19
10 PKQDDV 0.23
11 PWEDMV 0.25
12 PMMDMV 0.28
13 PWQDMV 0.3
14 MWMDDV 0.31
15 PWMMDV 0.32
16 PKMDMV 0.32
17 TWMDDV 0.33
18 PMEDMV 0.34
19 PKEDMV 0.37
20 MWEDDV 0.37
21 TWEDDV 0.38
22 PMQDMV 0.38
23 PWEMDV 0.38
24 MMMDDV 0.4
25 PMMMDV 0.41
26 MWQDDV 0.42
27 PWMDLV 0.42
28 TMMDDV 0.42
29 PKQDMV 0.42
30 PWQMDV 0.42
31 TWQDDV 0.43
32 PKMMDV 0.44
33 MKMDDV 0.44
34 TKMDDV 0.45
35 MMEDDV 0.46
36 PMEMDV 0.46
37 TMEDDV 0.47
38 PWEDLV 0.47
39 MKEDDV 0.49
40 PMMDLV 0.5
41 PKEMDV 0.5
42 MMQDDV 0.5
43 PMQMDV 0.51
44 MWMDMV 0.51
45 TKEDDV 0.51
46 PWMMMV 0.51
47 TMQDDV 0.52
48 TWMDMV 0.52
49 PWQDLV 0.52
50 MKQDDV 0.54
51 PKMDLV 0.54
52 PKQMDV 0.55
53 TKQDDV 0.56
54 PMEDLV 0.56
55 MWEDMV 0.56
56 PWEMMV 0.57
57 TWEDMV 0.58
58 PKEDLV 0.59
59 MMMDMV 0.59
60 PMMMMV 0.6
61 MWQDMV 0.61
62 PMQDLV 0.61
63 TMMDMV 0.61
64 PWQMMV 0.62
65 MWMMDV 0.63
66 TWQDMV 0.63
67 MKMDMV 0.63
68 PKMMMV 0.64
69 PKQDLV 0.64
70 TWMMDV 0.65
71 MMEDMV 0.65
72 TKMDMV 0.65
73 PMEMMV 0.66
74 TMEDMV 0.67
75 MKEDMV 0.68
76 MWEMDV 0.69
77 PKEMMV 0.69
78 TKEDMV 0.7
79 PMQMMV 0.7
80 TWEMDV 0.7
81 MMQDMV 0.7
82 TMQDMV 0.71
83 MMMMDV 0.72
84 MKQDMV 0.73
85 MWMDLV 0.73
86 MWQMDV 0.74
87 PKQMMV 0.74
88 PWMMLV 0.74
89 TMMMDV 0.74
90 TKQDMV 0.75
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 PWMDMV

7.73

-5.81

1.92
2 TWMDDV

6.5

-4.36

2.14
3 PKEDMV

8.64

-6.23

2.41
4 PKQDMV

7.92

-5.5

2.42
5 PMEDMV

8.97

-6.54

2.43
6 PMMDDV

7.96

-5.36

2.6
7 PWMMDV

8.52

-5.76

2.76
8 PWMDDV

8.63

-5.73

2.9
9 PMMMDV

8.13

-5.2

2.93
10 PKMDMV

8.79

-5.84

2.95
11 PWEDMV

9.26

-6.2

3.06
12 PKMDDV

8.64

-5.38

3.26
13 PWQDDV

8.55

-5.21

3.34
14 PWQMDV

9.46

-6.1

3.36
15 PWEMDV

8.71

-5.33

3.38
16 PWMDLV

9.49

-6.01

3.48
17 PWEDDV

9.45

-5.91

3.54
18 MWEDDV

8.23

-4.59

3.64
19 PKEDDV

9.29

-5.63

3.66
20 PWQDMV

9.47

-5.71

3.76
21 TMMDDV

8.43

-4.65

3.78
22 PMMDMV

9.61

-5.74

3.87
23 PMEDDV

9.35

-5.44

3.91
24 PMQDMV

9.42

-5.4

4.02
25 PKQDDV

9.51

-5.25

4.26
26 TWEDDV

8.61

-4.22

4.39
27 MWMDDV

9.62

-5.11

4.51
28 PMQDDV

9.57

-4.96

4.61
29 MMMDDV

9.35

-4.7

4.65
30 MWQDDV

9.49

-4.27

5.22

 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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