Predicted ligand sequences


ADAN-name: 2EJY2.PDB (view again the scoring matrix)

PDB name: [2EJY.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT R K E Y C I
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 8.358 ΔGbinding -8.890
TOTAL
 -0.532
Backbone Hb -6.100 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.380
Van der Waals -8.830 Backbone clash 2.070
Electrostatics -1.170 Helix dipole 0.100
Solvation Polar 12.150 Water bridges -0.510
Solvation Hyd -11.890 Disulfide -2.940
VdW clashes 1.610 Electrost. Kon -0.980
Entropy sc 5.280 Part.cov.bonds 0.000
Entropy mc

4.010

 ΔGstability

41.620
       

Predicted ligand sequences for template [2EJY2.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).
 
  2EJY2.PDB  

(data)
# Predicted Sequences Value Calculate
1 DMMFCM 0.0
2 EMMFCM 0.09
3 DMMWCM 0.11
4 DMMFMM 0.13
5 KMMFCM 0.14
6 EMMWCM 0.2
7 GMMFCM 0.2
8 AMMFCM 0.22
9 EMMFMM 0.22
10 DMMICM 0.23
11 DMMMCM 0.23
12 DMMWMM 0.25
13 KMMWCM 0.25
14 KMMFMM 0.27
15 GMMWCM 0.31
16 EMMICM 0.32
17 EMMMCM 0.32
18 AMMWCM 0.33
19 GMMFMM 0.33
20 EMMWMM 0.34
21 AMMFMM 0.35
22 DMMIMM 0.36
23 DMMMMM 0.36
24 DMMFCV 0.37
25 KMMICM 0.37
26 KMMMCM 0.37
27 KMMWMM 0.38
28 GMMMCM 0.43
29 GMMICM 0.43
30 GMMWMM 0.44
31 AMMMCM 0.45
32 AMMICM 0.45
33 EMMFCV 0.46
34 EMMIMM 0.46
35 EMMMMM 0.46
36 AMMWMM 0.47
37 DMMWCV 0.49
38 KMMIMM 0.5
39 KMMMMM 0.5
40 DMMFMV 0.51
41 KMMFCV 0.51
42 DIMFCM 0.53
43 GMMIMM 0.56
44 GMMMMM 0.56
45 GMMFCV 0.57
46 EMMWCV 0.58
47 AMMIMM 0.59
48 AMMMMM 0.59
49 DMMMCV 0.6
50 EMMFMV 0.6
51 AMMFCV 0.6
52 DMMICV 0.61
53 DMMWMV 0.62
54 KMMWCV 0.62
55 EIMFCM 0.63
56 KMMFMV 0.64
57 DIMWCM 0.65
58 DIMFMM 0.67
59 KIMFCM 0.67
60 GMMWCV 0.69
61 EMMICV 0.7
62 EMMMCV 0.7
63 AMMWCV 0.71
64 GMMFMV 0.71
65 EMMWMV 0.71
66 GIMFCM 0.73
67 AMMFMV 0.73
68 DMMIMV 0.74
69 KMMICV 0.74
70 EIMWCM 0.74
71 DMMMMV 0.74
72 KMMMCV 0.74
73 EIMFMM 0.76
74 KMMWMV 0.76
75 AIMFCM 0.76
76 DIMICM 0.77
77 DIMMCM 0.77
78 DIMWMM 0.78
79 KIMWCM 0.78
80 GMMMCV 0.8
81 KIMFMM 0.8
82 GMMICV 0.81
83 GMMWMV 0.82
84 EMMIMV 0.83
85 AMMMCV 0.83
86 AMMICV 0.83
87 EMMMMV 0.83
88 AMMWMV 0.84
89 GIMWCM 0.85
90 EIMMCM 0.86
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 EMMICM

8.3

-11.95

-3.65
2 DMMFCM

9.05

-11.75

-2.7
3 KMMFCM

8.95

-11.27

-2.32
4 DMMMCM

10.48

-12.42

-1.94
5 DMMFCV

8.49

-10.07

-1.58
6 AMMFCM

8.52

-10.08

-1.56
7 KMMICM

8.13

-9.67

-1.54
8 EMMFCM

9.93

-11.42

-1.49
9 EMMWCM

9.39

-10.47

-1.08
10 GMMICM

8.24

-9.08

-0.84
11 AMMFMM

8.52

-9.02

-0.5
12 EMMWMM

9.36

-9.83

-0.47
13 GMMFCM

8.59

-8.99

-0.4
14 KMMMCM

11.32

-11.45

-0.13
15 EMMMCM

10.82

-10.83

-0.01
16 DMMIMM

8.61

-8.4

0.21
17 AMMWCM

10.08

-9.67

0.41
18 DMMICM

8.67

-7.92

0.75
19 EMMFMM

8.42

-7.53

0.89
20 GMMMCM

10.29

-9.35

0.94
21 GMMFMM

8.76

-7.29

1.47
22 KMMWMM

10.17

-7.53

2.64
23 DMMWCM

14.15

-10.12

4.03
24 KMMWCM

13.75

-7.64

6.11
25 GMMWCM

13.68

-6.83

6.85
26 DMMWMM

13.28

-5.12

8.16
27 KMMFMM

8.8

7.82

16.62
28 DMMMMM

9.64

12.08

21.72
29 DMMFMM

8.6

17.25

25.85
30 GMMWMM

13.08

19.85

32.93

 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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