Predicted ligand sequences


ADAN-name: 2C7M2.PDB (view again the scoring matrix)

PDB name: [2C7M.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT Q K Q I Q E D W E L A E R L Q R E E E E
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 3.116 ΔGbinding -21.571
TOTAL
 -18.455
Backbone Hb -4.575 Cis_bond 0.000
Sidechain Hb -5.212 Torsional clash 2.908
Van der Waals -12.499 Backbone clash 0.507
Electrostatics -3.245 Helix dipole 0.021
Solvation Polar 13.990 Water bridges -0.051
Solvation Hyd -19.408 Disulfide 0.000
VdW clashes 0.242 Electrost. Kon -1.826
Entropy sc 5.595 Part.cov.bonds 0.000
Entropy mc

2.490

 ΔGstability

-12.116
       

Predicted ligand sequences for template [2C7M2.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).
 
  2C7M2.PDB  

(data)
# Predicted Sequences Value Calculate
1 EDFDEMDTDFAWDWWDEDMG 0.0
2 EDFDEMDTDFAWDWWDDDMG 0.01
3 EDFDEMDTDFAWDWWEEDMG 0.01
4 EDFDEMDTDFAWDWWDDDMD 0.02
5 EDFDEMDTDFAWDWWEDDMG 0.02
6 EEFDEMDTDFAWDWWDEDMG 0.02
7 EDFDEMDTDFAWDWWDDDME 0.02
8 EDFDEMDTDFAWDWWDEDME 0.02
9 EDFDEMDTDFAWDWWDEDMD 0.02
10 EDFDEMDTDFAWDWWDDDKG 0.03
11 EDFDEMDTDFAWDWWEDDMD 0.03
12 EEFDEMDTDFAWDWWDDDMG 0.03
13 EDFDEMDTDFAWDWWDEDKG 0.03
14 EDFDEMDTDFAWDWWEEDMD 0.03
15 EDFDEMDTDFAWDWWEEDME 0.03
16 EDFDEMDTDFAWDWWSEDMG 0.04
17 EEFDEMDTDFAWDWWEDDMG 0.04
18 EDFDEMDTDFAWDWWEDDME 0.04
19 EEFDEMDTDFAWDWWDEDMD 0.04
20 EEFDEMDTDFAWDWWDEDME 0.04
21 EDFDEMDTDFAWDWWEEDKG 0.04
22 EDFDEMDTDFAWDWWSDDMG 0.04
23 EEFDEMDTDFAWDWWDDDMD 0.04
24 EDFDEMDTDFAWDWWDEDKD 0.04
25 EEFDEMDTDFAWDWWEEDMG 0.04
26 EDFDEMDTDFAWDWWEDDKG 0.04
27 EEFDEMDTDFAWDWWEEDMD 0.05
28 EDFDEMDTEFAWDWWDEDMG 0.05
29 EDFDEMDTDFAWDWWDDDKD 0.05
30 EDFDEMDTDFAWDWWDDDKE 0.05
31 EEFDEMDTDFAWDWWDDDME 0.05
32 EDFDEMDTDFAWDWWDEDKE 0.05
33 EEFDEMDTDFAWDWWDEDKG 0.05
34 EEFDEMDTDFAWDWWSEDMG 0.06
35 EDFDEMDTDFAWDWWSEDMD 0.06
36 EDFDEMDTDFAWDWWSEDME 0.06
37 EEFDEMDTDFAWDWWEDDMD 0.06
38 EEFDEMDTDFAWDWWEDDME 0.06
39 EDFDEMDTDFAWDWWEEDKD 0.06
40 EDFDEMDTDFAWDWWEEDKE 0.06
41 EDFDEMDTDFAWDWWSDDME 0.06
42 EDFDEMDTDFAWDWWSDDMD 0.06
43 EDFDEMDTEFAWDWWDDDMG 0.06
44 EDFDEMDTDFAWDWWEDDKE 0.06
45 EDFDEMDTDFAWDWWEDDKD 0.06
46 EEFDEMDTDFAWDWWEEDME 0.06
47 EEFDEMDTDFAWDWWEEDKG 0.06
48 EEFDEMDTDFAWDWWDDDKG 0.06
49 EDFDEMDTEFAWDWWDEDMD 0.07
50 EDFDEMDTEFAWDWWDEDME 0.07
51 EDFDEMDTDFAWDWWSEDKG 0.07
52 EEFDEMDTDFAWDWWEDDKG 0.07
53 EDFDDMDTDFAWDWWDDDMG 0.07
54 EDFDEMDTDFAWDWWSDDKG 0.07
55 EDFDEMDTEFAWDWWEEDMG 0.07
56 EEFDEMDTDFAWDWWDEDKD 0.07
57 EEFDEMDTDFAWDWWDEDKE 0.07
58 EDFDDMDTDFAWDWWDEDMG 0.07
59 EEFDEMDTDFAWDWWSDDMG 0.07
60 DDFDEMDTDFAWDWWDEDMG 0.07
61 EDFDEMDTEFAWDWWDDDMD 0.07
62 EDFDEMDTEFAWDWWEDDMG 0.07
63 EEFDEMDTDFAWDWWDDDKE 0.07
64 EEFDEMDTDFAWDWWDDDKD 0.07
65 EEFDEMDTDFAWDWWSEDME 0.08
66 EEFDEMDTDFAWDWWSEDMD 0.08
67 ECFDEMDTDFAWDWWDDDMG 0.08
68 ECFDEMDTDFAWDWWDEDMG 0.08
69 EDFDDMDTDFAWDWWEEDMG 0.08
70 DDFDEMDTDFAWDWWDDDMG 0.08
71 EDFDEMDTEFAWDWWDDDKG 0.08
72 EDFDEMDTEFAWDWWDDDME 0.08
73 EDFDEMDTEFAWDWWDEDKG 0.08
74 EDFDEMDTDFAWDWWSEDKD 0.08
75 EDFDDMDTDFAWDWWEDDMG 0.08
76 EEFDEMDTDFAWDWWEDDKD 0.08
77 EDFDEMDTEFAWDWWEEDME 0.08
78 EEFDEMDTEFAWDWWDEDMG 0.08
79 EEFDEMDTEFAWDWWDDDMG 0.08
80 EDFDDMDTDFAWDWWDEDMD 0.08
81 EEFDEMDTDFAWDWWSDDMD 0.08
82 EEFDEMDTDFAWDWWEEDKE 0.08
83 EEFDEMDTDFAWDWWEEDKD 0.08
84 EDFDEMDTEFAWDWWEEDMD 0.08
85 EDFDDMDTDFAWDWWDDDME 0.09
86 EDFDDMDTDFAWDWWDDDMD 0.09
87 EDMDEMDTDFAWDWWDDDMG 0.09
88 EEFDDMDTDFAWDWWDEDMG 0.09
89 DDFDEMDTDFAWDWWEDDMG 0.09
90 EDFDEMDTEFAWDWWEEDKG 0.09
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 EEFDEMDTDFAWDWWEEDMG

2.67

-25.88

-23.21
2 EDFDEMDTDFAWDWWDEDKG

2.06

-25.1

-23.04
3 EDFDEMDTEFAWDWWDEDMG

2.12

-24.7

-22.58
4 EDFDEMDTDFAWDWWDDDKE

1.88

-24.38

-22.5
5 EDFDEMDTDFAWDWWEEDKG

2.08

-24.56

-22.48
6 EDFDEMDTDFAWDWWDDDKD

2.3

-24.66

-22.36
7 EEFDEMDTDFAWDWWDEDMG

2.45

-24.55

-22.1
8 EDFDEMDTDFAWDWWEDDMD

2.05

-24.09

-22.04
9 EDFDEMDTDFAWDWWEDDKG

2.12

-24.14

-22.02
10 EDFDEMDTDFAWDWWDEDMD

1.92

-23.86

-21.94
11 EDFDEMDTDFAWDWWEEDMG

2.6

-24.45

-21.85
12 EEFDEMDTDFAWDWWDEDME

2.3

-24.13

-21.83
13 EEFDEMDTDFAWDWWEEDMD

2.33

-24.01

-21.68
14 EDFDEMDTDFAWDWWDDDMD

2.43

-24.03

-21.6
15 EDFDEMDTDFAWDWWDDDMG

2.01

-23.55

-21.54
16 EDFDEMDTDFAWDWWEEDME

2.44

-23.95

-21.51
17 EDFDEMDTDFAWDWWEEDMD

1.97

-23.18

-21.21
18 EEFDEMDTDFAWDWWEDDMG

1.43

-22.31

-20.88
19 EDFDEMDTDFAWDWWDDDKG

1.99

-22.68

-20.69
20 EDFDEMDTDFAWDWWSEDMG

1.78

-22.44

-20.66
21 EDFDEMDTDFAWDWWDDDME

2.02

-22.57

-20.55
22 EDFDEMDTDFAWDWWDEDMG

1.73

-22.21

-20.48
23 EDFDEMDTDFAWDWWSDDMG

1.98

-22.46

-20.48
24 EEFDEMDTDFAWDWWDEDMD

1.74

-22.1

-20.36
25 EEFDEMDTDFAWDWWDDDMD

1.8

-22.16

-20.36
26 EEFDEMDTDFAWDWWDDDMG

2.62

-22.95

-20.33
27 EDFDEMDTDFAWDWWDEDME

2.35

-22.42

-20.07
28 EDFDEMDTDFAWDWWEDDME

2.06

-22.04

-19.98
29 EDFDEMDTDFAWDWWEDDMG

1.57

-21.35

-19.78
30 EDFDEMDTDFAWDWWDEDKD

2.32

-21.76

-19.44

 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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