Predicted ligand sequences


ADAN-name: 1MK23.PDB (view again the scoring matrix)

PDB name: [1MK2.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT S P N P N N P A E Y C S T I P P L Q Q A
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
poly-Ala A
A
A
 A A
A
 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 8.977 ΔGbinding -9.243
TOTAL
 -0.266
Backbone Hb -5.062 Cis_bond 0.000
Sidechain Hb -3.750 Torsional clash 0.767
Van der Waals -12.016 Backbone clash 2.148
Electrostatics 0.009 Helix dipole 0.000
Solvation Polar 9.901 Water bridges -0.002
Solvation Hyd -17.234 Disulfide -1.253
VdW clashes 9.227 Electrost. Kon -0.032
Entropy sc 3.719 Part.cov.bonds 0.000
Entropy mc

6.483

 ΔGstability

71.251
       

Predicted ligand sequences for template [1MK23.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).
 
  1MK23.PDB  

(data)
# Predicted Sequences Value Calculate
1 GPPMWDWWTHGWWKRPWRWF 0.0
2 GPPMWDWWTHGWWKRPWEWF 0.01
3 GPPMWDWWTHGWWKRPWKWF 0.02
4 GPFMWDWWTHGWWKRPWRWF 0.02
5 GPPMWDWWTHGWWKKPWRWF 0.02
6 GPPMWDWWTHGWWKKPWEWF 0.03
7 GPFMWDWWTHGWWKRPWEWF 0.03
8 GPPMWDWWTHGWWRRPWRWF 0.03
9 GPPMWDWWTHGWWRRPWEWF 0.03
10 GPLMWDWWTHGWWKRPWEWF 0.04
11 GPPMWDWWTHGFWKRPWRWF 0.04
12 GPPMWDWWTHGWWKKPWKWF 0.04
13 GPLMWDWWTHGWWKRPWRWF 0.04
14 GPFMWDWWTHGWWKRPWKWF 0.04
15 GPFMWDWWTHGWWKKPWRWF 0.04
16 GPFMWDWWTHGWWKKPWEWF 0.05
17 GPPMWDWWTHGFWKRPWEWF 0.05
18 GPPMWDWWTHGWWYRPWRWF 0.05
19 GPFMWDWWTHGWWRRPWEWF 0.05
20 GPPMWDWWTHGWWRKPWRWF 0.05
21 GPLMWDWWTHGWWKRPWKWF 0.05
22 GPFMWDWWTHGWWRRPWRWF 0.05
23 GPPMWDWWTHGWWRRPWKWF 0.05
24 GPLMWDWWTHGWWRRPWRWF 0.06
25 GPPMWDWWTHGWWRKPWEWF 0.06
26 GPPMWDWWTNGWWKRPWRWF 0.06
27 GPPMWDWWTHGFWKKPWRWF 0.06
28 GPFMWDWWTHGWWKKPWKWF 0.06
29 GPLMWDWWTHGWWKKPWRWF 0.06
30 GPPMWDWWTHGFWKRPWKWF 0.06
31 GPFMWDWWTHGFWKRPWRWF 0.06
32 GPPMWDWWTHGWWYRPWEWF 0.06
33 GPFMWDWWTHGWWRRPWKWF 0.07
34 GPPMWDWWTHGFWRRPWRWF 0.07
35 GPLMWDWWTHGWWKKPWEWF 0.07
36 GPLMWDWWTHGWWRRPWEWF 0.07
37 GPPMWDWWTHGWWRKPWKWF 0.07
38 GPPMWDWWTNGWWKRPWEWF 0.07
39 GPPMWDWWTHGFWKKPWEWF 0.07
40 GPFMWDWWTHGFWKRPWEWF 0.07
41 GPPMWDWWTHGWWYRPWKWF 0.07
42 GPLMWDWWTHGFWKRPWRWF 0.07
43 GPPMWDWWTHGFWRRPWEWF 0.07
44 GPPMWDWWTHGWWYKPWRWF 0.07
45 GPFMWDWWTHGWWYRPWRWF 0.07
46 GPFMWDWWTHGWWRKPWRWF 0.07
47 GPFMWDWWTNGWWKRPWRWF 0.08
48 GPFMWDWWTHGWWRKPWEWF 0.08
49 GPPPWDWWTHGWWKRPWRWF 0.08
50 GPFMWDWWTHGWWYRPWEWF 0.08
51 GPLMWDWWTHGWWYRPWRWF 0.08
52 GPPMWDWWTNGWWKKPWRWF 0.08
53 GPPPWDWWTHGWWKRPWEWF 0.08
54 GPFMWDWWTHGFWKKPWRWF 0.08
55 GPLMWDWWTHGWWKKPWKWF 0.08
56 GPLMWDWWTHGWWRRPWKWF 0.08
57 GPPMWDWWTHGFWKKPWKWF 0.08
58 GPPMWDWWTNGWWKRPWKWF 0.08
59 GPLMWDWWTHGFWKRPWEWF 0.08
60 GPFMWDWWTHGFWKRPWKWF 0.08
61 GPPMWDWWTHGWWYKPWEWF 0.08
62 GPFMWDWWTHGFWRRPWEWF 0.09
63 GPPMWDWWTHGFWRRPWKWF 0.09
64 GPFMWDWWTHGFWRRPWRWF 0.09
65 GPFMWDWWTNGWWKRPWEWF 0.09
66 GPLMWDWWTHGFWKRPWKWF 0.09
67 GPPMWDWWTNGWWRRPWRWF 0.09
68 GPPMWDWWTHGFWYRPWRWF 0.09
69 GPFMWDWWTHGWWRKPWKWF 0.09
70 GPPMWDWWTHGWWYKPWKWF 0.09
71 GPPMWDWWTNGWWKKPWEWF 0.09
72 GPFMWDWWTHGWWYRPWKWF 0.09
73 GPLMWDWWTHGWWYRPWEWF 0.09
74 GPFMWDWWTHGFWKKPWEWF 0.09
75 GPPMWDWWTHGFWRKPWRWF 0.09
76 GPFMWDWWTHGWWYKPWRWF 0.09
77 GPLMWDWWTHGWWRKPWRWF 0.09
78 GPLMWDWWTHGWWRKPWEWF 0.09
79 GPPMWDWWTNGWWRRPWEWF 0.09
80 GPFMWDWWTHGFWKKPWKWF 0.1
81 GPFPWDWWTHGWWKRPWEWF 0.1
82 GPPMWDWWTNGWWKKPWKWF 0.1
83 GPFPWDWWTHGWWKRPWRWF 0.1
84 GPLMWDWWTHGFWKKPWRWF 0.1
85 GPPMWDWWTHGFWRKPWEWF 0.1
86 GPLMWDWWTHGFWRRPWRWF 0.1
87 GPPMWDWWTHGFWYRPWEWF 0.1
88 GPLMWDWWTNGWWKRPWEWF 0.1
89 GPLMWDWWTNGWWKRPWRWF 0.1
90 GPPPWDWWTHGWWKKPWRWF 0.1
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 GPPMWDWWTNGWWKRPWRWF

3.73

-24.38

-20.65
2 GPPMWDWWTHGWWRRPWKWF

6.73

-25.1

-18.37
3 GPFMWDWWTHGWWKRPWKWF

6.53

-24.32

-17.79
4 GPPMWDWWTHGWWKRPWKWF

6.94

-24.38

-17.44
5 GPPMWDWWTHGWWRRPWEWF

6.93

-23.5

-16.57
6 GPPMWDWWTHGWWYRPWRWF

7.06

-23.38

-16.32
7 GPFMWDWWTHGWWKRPWEWF

6.61

-22.82

-16.21
8 GPPMWDWWTHGWWKKPWRWF

6.55

-22.62

-16.07
9 GPFMWDWWTHGWWRRPWRWF

7.05

-23.0

-15.95
10 GPPMWDWWTHGWWKKPWKWF

6.44

-22.29

-15.85
11 GPPMWDWWTHGWWRRPWRWF

6.94

-22.75

-15.81
12 GPFMWDWWTHGWWKKPWKWF

6.38

-22.03

-15.65
13 GPPMWDWWTHGWWKRPWRWF

6.96

-22.59

-15.63
14 GPFMWDWWTHGWWKKPWEWF

7.28

-22.82

-15.54
15 GPPMWDWWTHGFWKRPWKWF

7.18

-22.36

-15.18
16 GPFMWDWWTHGWWKKPWRWF

6.45

-21.51

-15.06
17 GPPMWDWWTHGWWRKPWEWF

6.67

-21.73

-15.06
18 GPPMWDWWTHGFWKRPWEWF

6.56

-21.38

-14.82
19 GPPMWDWWTHGWWKRPWEWF

6.79

-21.54

-14.75
20 GPLMWDWWTHGWWKRPWEWF

9.24

-23.96

-14.72
21 GPPMWDWWTHGFWKRPWRWF

7.22

-21.8

-14.58
22 GPPMWDWWTHGFWKKPWRWF

6.38

-20.53

-14.15
23 GPFMWDWWTHGWWKRPWRWF

9.04

-23.16

-14.12
24 GPPMWDWWTHGWWKKPWEWF

6.68

-20.35

-13.67
25 GPLMWDWWTHGWWKRPWKWF

8.97

-22.63

-13.66
26 GPPMWDWWTHGWWRKPWRWF

6.76

-20.41

-13.65
27 GPFMWDWWTHGWWRRPWEWF

8.52

-22.09

-13.57
28 GPLMWDWWTHGWWRRPWRWF

8.88

-22.33

-13.45
29 GPLMWDWWTHGWWKRPWRWF

9.18

-20.78

-11.6
30 GPLMWDWWTHGWWKKPWRWF

8.38

-19.64

-11.26

 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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