Predicted ligand sequences


ADAN-name: 2C2L2.PDB (view again the scoring matrix)

PDB name: [2C2L.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT D T S R M E E V D
position 1 2 3 4 5 6 7 8 9
poly-Ala
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 5.748 ΔGbinding -10.306
TOTAL
 -4.558
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -4.050 Torsional clash 2.764
Van der Waals -10.003 Backbone clash 2.843
Electrostatics -5.439 Helix dipole 0.009
Solvation Polar 11.698 Water bridges -0.140
Solvation Hyd -15.222 Disulfide 0.000
VdW clashes 2.055 Electrost. Kon -4.050
Entropy sc 6.454 Part.cov.bonds 0.000
Entropy mc

7.143

 ΔGstability

174.022
       

Predicted ligand sequences for template [2C2L2.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).
 
  2C2L2.PDB  

(data)
# Predicted Sequences Value Calculate
1 DFMHIMWDE 0.0
2 DFMHIWWDE 0.01
3 EFMHIMWDE 0.01
4 EFMHIWWDE 0.02
5 DFMHIMWGE 0.02
6 DFMHIWWGE 0.03
7 EFMHIMWGE 0.03
8 DWMHIMWDE 0.04
9 DFMHIMWNE 0.04
10 EFMHIWWGE 0.04
11 DFMHIWWNE 0.05
12 EFMHIMWNE 0.05
13 DWMHIWWDE 0.05
14 EWMHIMWDE 0.05
15 DWMHIMWGE 0.05
16 DWMHIWWGE 0.06
17 EWMHIWWDE 0.06
18 PFMHIMWDE 0.06
19 EWMHIMWGE 0.06
20 EWMHIWWGE 0.07
21 PFMHIWWDE 0.07
22 EFMHIWWNE 0.07
23 DWMHIMWNE 0.08
24 PFMHIMWGE 0.08
25 PFMHIWWGE 0.09
26 EWMHIMWNE 0.09
27 DWMHIWWNE 0.09
28 EWMHIWWNE 0.1
29 PFMHIMWNE 0.1
30 PWMHIMWDE 0.1
31 PWMHIMWGE 0.11
32 PWMHIWWDE 0.11
33 DFMGIMWDE 0.11
34 DFMGIWWDE 0.12
35 EFMGIMWDE 0.12
36 DFMGIMWGE 0.12
37 PFMHIWWNE 0.12
38 PWMHIWWGE 0.13
39 EFMGIWWDE 0.13
40 EFMGIMWGE 0.13
41 DFMGIWWGE 0.13
42 PWMHIMWNE 0.14
43 DWMGIMWDE 0.14
44 DFMHLMWDE 0.14
45 EWMGIMWDE 0.15
46 DFMHIMIDE 0.15
47 EFMHLMWDE 0.15
48 DFMGIMWNE 0.15
49 DFMHLMWGE 0.15
50 DFMHLWWDE 0.15
51 DWMGIWWDE 0.15
52 EFMGIWWGE 0.15
53 PWMHIWWNE 0.15
54 EFMHLMWGE 0.16
55 DFMHLWWGE 0.16
56 DFMGIWWNE 0.16
57 DWMGIMWGE 0.16
58 EWMGIWWDE 0.16
59 EFMGIMWNE 0.16
60 EFMHLWWDE 0.16
61 EFMHIMIDE 0.16
62 EFMGIWWNE 0.17
63 DFMKIMWDE 0.17
64 DFMHIWIDE 0.17
65 DWMHLMWDE 0.17
66 DFMHIMIGE 0.17
67 DWMGIWWGE 0.17
68 EWMGIMWGE 0.17
69 PFMGIMWDE 0.17
70 PFMGIWWDE 0.18
71 EWMHLMWDE 0.18
72 DWMGIMWNE 0.18
73 DFMHLMWNE 0.18
74 EFMHLWWGE 0.18
75 EFMHIWIDE 0.18
76 EFMKIMWDE 0.18
77 DWMHLWWDE 0.18
78 DFMHIWIGE 0.18
79 PFMGIMWGE 0.18
80 DFMKIWWDE 0.18
81 EFMHIMIGE 0.18
82 EWMGIWWGE 0.18
83 DWMGIWWNE 0.19
84 DFMKIMWGE 0.19
85 EFMHIWIGE 0.19
86 EWMGIMWNE 0.19
87 DFMHMMWDE 0.19
88 EWMHLWWDE 0.19
89 DWMHLMWGE 0.19
90 EFMHLMWNE 0.19
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 EWMHIMWGE

3.46

-15.75

-12.29
2 DFMHIMWNE

4.27

-16.03

-11.76
3 EWMHIMWNE

4.4

-15.93

-11.53
4 EFMHIMWGE

3.1

-14.52

-11.42
5 DWMHIMWGE

3.09

-14.49

-11.4
6 DFMHIMWGE

3.07

-14.47

-11.4
7 PFMHIWWGE

4.72

-16.11

-11.39
8 EFMHIMWNE

4.35

-15.68

-11.33
9 DWMHIMWDE

4.17

-15.29

-11.12
10 PFMHIMWDE

4.0

-14.98

-10.98
11 EFMHIMWDE

4.3

-15.21

-10.91
12 DFMHIMWDE

4.26

-15.01

-10.75
13 EWMHIWWNE

5.44

-16.12

-10.68
14 DFMHIWWNE

5.46

-15.83

-10.37
15 EWMHIWWDE

5.21

-15.57

-10.36
16 PFMHIMWNE

5.19

-15.47

-10.28
17 EFMHIWWGE

4.94

-15.16

-10.22
18 EFMHIWWDE

5.32

-15.39

-10.07
19 PWMHIMWDE

4.08

-14.05

-9.97
20 EWMHIMWDE

4.63

-14.58

-9.95
21 DWMHIWWNE

5.45

-15.26

-9.81
22 DWMHIWWGE

4.51

-14.23

-9.72
23 EWMHIWWGE

4.42

-13.96

-9.54
24 PFMHIWWDE

5.25

-14.79

-9.54
25 EFMHIWWNE

5.41

-14.92

-9.51
26 DFMHIWWGE

4.47

-13.94

-9.47
27 PFMHIMWGE

4.15

-13.56

-9.41
28 DFMHIWWDE

5.39

-14.64

-9.25
29 DWMHIMWNE

4.23

-13.11

-8.88
30 DWMHIWWDE

5.39

-13.79

-8.4

 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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