Predicted ligand sequences


ADAN-name: 2FCI2.PDB (view again the scoring matrix)

PDB name: [2FCI.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT D T E V y E S P y A D P
position 1 2 3 4 5 6 7 8 9 10 11 12
poly-Ala A A A
A
y
 A
A
A
y
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 34.118 ΔGbinding 9.530
TOTAL
 43.648
Backbone Hb -1.690 Cis_bond 0.000
Sidechain Hb -4.210 Torsional clash 1.390
Van der Waals -17.090 Backbone clash 2.740
Electrostatics -6.180 Helix dipole 0.000
Solvation Polar 25.290 Water bridges -1.280
Solvation Hyd -19.560 Disulfide 0.000
VdW clashes 18.820 Electrost. Kon -3.980
Entropy sc 7.240 Part.cov.bonds 0.000
Entropy mc

10.780

 ΔGstability

225.290
       

Predicted ligand sequences for template [2FCI2.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).
 
  2FCI2.PDB  

(data)
# Predicted Sequences Value Calculate
1 ssEGGsMGMDKE 0.0
2 ssEGGsyGMDKE 0.04
3 ssEGGsMGLDKE 0.04
4 ssEGGsMGMDKD 0.07
5 sDEGGsMGMDKE 0.07
6 ssEGGsMGMDYE 0.07
7 ssEGGGMGMDKE 0.07
8 ssEGGsyGLDKE 0.09
9 ssEGGGyGMDKE 0.11
10 ssEGGGMGLDKE 0.12
11 ssEGGsyGMDKD 0.12
12 ssEGGsyGMDYE 0.12
13 ssEGGsMGLDYE 0.12
14 sDEGGsMGLDKE 0.12
15 ssEGGsMGLDKD 0.12
16 sDEGGsyGMDKE 0.12
17 ssEGGsMGMDDE 0.13
18 ssEGGGMGMDYE 0.14
19 sDEGGGMGMDKE 0.14
20 ssEGGGMGMDKD 0.14
21 sDEGGsMGMDKD 0.15
22 sDEGGsMGMDYE 0.15
23 ssEGGsMGMDYD 0.15
24 ssEGGsyGLDYE 0.16
25 ssEGGGyGLDKE 0.16
26 ssEGGsCGMDKE 0.16
27 sDEGGsyGLDKE 0.16
28 ssEGGsyGLDKD 0.16
29 ssEGGsMGLDDE 0.17
30 ssEGGsyGMDDE 0.17
31 ssEGGGMGLDKD 0.19
32 sDEGGsMGLDKD 0.19
33 ssEGGsyGMDYD 0.19
34 ssEGGsMGLDYD 0.19
35 sDEGGsyGMDYE 0.19
36 ssEGGGyGMDYE 0.19
37 sDEGGGMGLDKE 0.19
38 ssEGGGMGLDYE 0.19
39 sDEGGGyGMDKE 0.19
40 sDEGGsyGMDKD 0.19
41 sDEGGsMGLDYE 0.19
42 ssEGGGyGMDKD 0.19
43 ssEGGGMGMDDE 0.2
44 sDEGGsMGMDDE 0.2
45 ssEGGsMGMDDD 0.2
46 ssEGGsCGLDKE 0.2
47 ssEGGGMGMDYD 0.22
48 ssEGGsyGLDDE 0.22
49 sDEGGsMGMDYD 0.22
50 sDEGGGMGMDKD 0.22
51 sDEGGGMGMDYE 0.22
52 ssEGGsyGLDYD 0.23
53 ssEGGGyGLDKD 0.23
54 ssEGGsCGMDKD 0.23
55 ssEGGGyGLDYE 0.23
56 sDEGGsCGMDKE 0.23
57 sDEGGsyGLDKD 0.23
58 ssEGGsCGMDYE 0.23
59 ssEGGGCGMDKE 0.23
60 sDEGGGyGLDKE 0.23
61 sDEGGsyGLDYE 0.23
62 ssEGGsMGLDDD 0.25
63 ssEGGGyGMDDE 0.25
64 sDEGGsMGLDDE 0.25
65 sDEGGsyGMDDE 0.25
66 ssEGGGMGLDDE 0.25
67 ssEGGsyGMDDD 0.25
68 sDEGGGMGLDYE 0.26
69 sDEGGGyGMDYE 0.26
70 sDEGGsyGMDYD 0.26
71 sDEGGGMGLDKD 0.26
72 ssEGGGyGMDYD 0.26
73 ssEGGGMGLDYD 0.26
74 sDEGGGyGMDKD 0.26
75 sDEGGsMGLDYD 0.26
76 sDEGGsCGLDKE 0.27
77 ssEGGGCGLDKE 0.27
78 DsEGGsMGMDKE 0.27
79 ssEGGsCGLDYE 0.28
80 ssEGGGMGMDDD 0.28
81 sDEGGGMGMDDE 0.28
82 sDEGGsMGMDDD 0.28
83 ssEGGsCGLDKD 0.28
84 EsEGGsMGMDKE 0.29
85 ssEGGsyGLDDD 0.29
86 ssEGGGyGLDDE 0.29
87 ssEGGsCGMDDE 0.29
88 sDEGGsyGLDDE 0.29
89 sDEGGGMGMDYD 0.29
90 ssEGGGCGMDYE 0.3
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 sDEGGGMGMDKE

20.11

-0.95

19.16
2 ssEGGsMGMDKE

22.79

-3.02

19.77
3 ssEGGGyGMDKE

20.29

0.66

20.95
4 ssEGGsyGMDDE

22.78

-1.78

21.0
5 ssEGGsMGMDKD

23.17

-1.84

21.33
6 sDEGGsMGMDYE

23.93

-2.5

21.43
7 ssEGGsMGLDKD

23.52

-2.09

21.43
8 sDEGGsyGLDKE

23.27

-1.33

21.94
9 ssEGGsyGLDKE

24.03

-1.92

22.11
10 ssEGGGMGMDKD

22.84

-0.72

22.12
11 ssEGGsCGMDKE

23.63

-1.44

22.19
12 ssEGGGMGMDYE

24.55

-2.18

22.37
13 ssEGGsyGMDKD

22.9

-0.52

22.38
14 ssEGGsMGLDKE

24.58

-1.6

22.98
15 sDEGGsMGMDKE

23.96

-0.91

23.05
16 ssEGGsMGMDYD

25.85

-2.59

23.26
17 ssEGGsyGLDKD

23.73

-0.4

23.33
18 ssEGGsMGMDDE

26.13

-2.76

23.37
19 sDEGGsyGMDKE

24.59

-1.13

23.46
20 ssEGGGMGMDKE

23.39

0.36

23.75
21 ssEGGsyGMDYE

22.72

1.31

24.03
22 ssEGGsyGLDYE

24.61

-0.56

24.05
23 sDEGGsMGLDKE

25.18

-1.12

24.06
24 sDEGGsMGMDKD

25.52

-1.37

24.15
25 ssEGGGMGLDKE

22.7

1.61

24.31
26 ssEGGsyGMDKE

24.92

-0.52

24.4
27 ssEGGsMGLDYE

24.27

0.27

24.54
28 ssEGGGyGLDKE

24.92

-0.09

24.83
29 ssEGGsMGLDDE

26.4

-1.26

25.14
30 ssEGGsMGMDYE

25.41

0.07

25.48

 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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