Predicted ligand sequences


ADAN-name: 2C7N2.PDB (view again the scoring matrix)

PDB name: [2C7N.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT A R Q K Q I Q E D W E L A E R L Q R 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 3.835 ΔGbinding -20.139
TOTAL
 -16.304
Backbone Hb -5.038 Cis_bond 0.000
Sidechain Hb -5.338 Torsional clash 1.493
Van der Waals -12.546 Backbone clash 0.498
Electrostatics -3.173 Helix dipole 0.007
Solvation Polar 15.595 Water bridges -0.103
Solvation Hyd -18.600 Disulfide 0.000
VdW clashes 0.563 Electrost. Kon -2.188
Entropy sc 6.368 Part.cov.bonds 0.000
Entropy mc

2.820

 ΔGstability

-17.258
       

Predicted ligand sequences for template [2C7N2.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).
 
  2C7N2.PDB  

(data)
# Predicted Sequences Value Calculate
1 WRDDRDEMDWDWEWDMWEDE 0.0
2 WRDDRDEMDWDWEWDMWDDE 0.01
3 WRDERDEMDWDWEWDMWEDE 0.02
4 WRDERDEMDWDWEWDMWDDE 0.02
5 WRDDRDEMDWDWEWDMWEEE 0.03
6 WRDDRDEMDWDWEWDMWDEE 0.03
7 WREDRDEMDWDWEWDMWEDE 0.03
8 WRDDRDEMDWDWEWDMWGDE 0.04
9 WREDRDEMDWDWEWDMWDDE 0.04
10 WRWDRDEMDWDWEWDMWDDE 0.04
11 WRWDRDEMDWDWEWDMWEDE 0.04
12 WRDDRDEMDWEWEWDMWDDE 0.05
13 WRDERDEMDWDWEWDMWEEE 0.05
14 WREERDEMDWDWEWDMWEDE 0.05
15 WRDERDEMDWDWEWDMWGDE 0.05
16 WRDERDEMDWDWEWDMWDEE 0.05
17 WRDDRDEMDWEWEWDMWEDE 0.05
18 WREERDEMDWDWEWDMWDDE 0.06
19 WREDRDEMDWDWEWDMWEEE 0.06
20 WRDGRDEMDWDWEWDMWEDE 0.06
21 WRDERDEMDWEWEWDMWEDE 0.06
22 WRWERDEMDWDWEWDMWDDE 0.06
23 WRWERDEMDWDWEWDMWEDE 0.06
24 WREDRDEMDWDWEWDMWGDE 0.07
25 WRDDRDEMDWEWEWDMWEEE 0.07
26 WRDGRDEMDWDWEWDMWDDE 0.07
27 WRDDRDEMDWDWEWDMWGEE 0.07
28 WREDRDEMDWDWEWDMWDEE 0.07
29 WRWDRDEMDWDWEWDMWDEE 0.07
30 WRWDRDEMDWDWEWDMWEEE 0.07
31 WRDERDEMDWEWEWDMWDDE 0.07
32 WREDRDEMDWEWEWDMWDDE 0.08
33 WREDRDEMDWEWEWDMWEDE 0.08
34 WREERDEMDWDWEWDMWEEE 0.08
35 WRDDRDEMDWEWEWDMWGDE 0.08
36 WRWDRDEMDWDWEWDMWGDE 0.08
37 WREERDEMDWDWEWDMWDEE 0.08
38 WRWERDEMDWDWEWDMWEEE 0.08
39 WRDERDEMDWDWEWDMWGEE 0.08
40 WRWDRDEMDWEWEWDMWEDE 0.08
41 WRDDRDEMDWEWEWDMWDEE 0.08
42 WRDGRDEMDWDWEWDMWDEE 0.09
43 WRWERDEMDWDWEWDMWGDE 0.09
44 WREERDEMDWDWEWDMWGDE 0.09
45 WREGRDEMDWDWEWDMWEDE 0.09
46 WRDERDEMDWEWEWDMWEEE 0.09
47 WRDGRDEMDWDWEWDMWEEE 0.09
48 WRWDRDEMDWEWEWDMWDDE 0.09
49 WRWERDEMDWDWEWDMWDEE 0.09
50 WRWERDEMDWEWEWDMWEDE 0.1
51 WRWGRDEMDWDWEWDMWEDE 0.1
52 WREERDEMDWEWEWDMWDDE 0.1
53 WRDDRDEMDWDWEWEMWEDE 0.1
54 WRDERDEMDWEWEWDMWDEE 0.1
55 WREGRDEMDWDWEWDMWDDE 0.1
56 WREDRDEMDWDWEWDMWGEE 0.1
57 WRDDRDEMDWDWEWEMWDDE 0.1
58 WRDERDEMDWEWEWDMWGDE 0.1
59 WREERDEMDWEWEWDMWEDE 0.1
60 WRWDRDEMDWDWEWDMWGEE 0.1
61 WRDGRDEMDWDWEWDMWGDE 0.1
62 WREERDEMDWDWEWDMWGEE 0.11
63 WREDRDEMDWEWEWDMWDEE 0.11
64 WRWERDEMDWEWEWDMWDDE 0.11
65 WRDDRDEMDWEWEWDMWGEE 0.11
66 WREDRDEMDWEWEWDMWGDE 0.11
67 WRWDRDEMDWEWEWDMWEEE 0.11
68 WRDGRDEMDWEWEWDMWDDE 0.11
69 WRDERDEMDWDWEWEMWEDE 0.11
70 WRWGRDEMDWDWEWDMWDDE 0.11
71 WREDRDEMDWEWEWDMWEEE 0.11
72 WRDGRDEMDWEWEWDMWEDE 0.11
73 WREGRDEMDWDWEWDMWEEE 0.12
74 WRDDRDEMDWDWEWEMWEEE 0.12
75 WRDDRDDMDWDWEWDMWEDE 0.12
76 WREERDEMDWEWEWDMWEEE 0.12
77 WRWDRDEMDWEWEWDMWGDE 0.12
78 WRDERDEMDWDWEWEMWDDE 0.12
79 WRWERDEMDWDWEWDMWGEE 0.12
80 WRWDRDEMDWEWEWDMWDEE 0.12
81 WRDGRDEMDWDWEWDMWGEE 0.13
82 WRDDRDEMDWDWEWEMWDEE 0.13
83 WREDRDEMDWDWEWEMWDDE 0.13
84 WRWGRDEMDWDWEWDMWDEE 0.13
85 WREERDEMDWEWEWDMWGDE 0.13
86 WRWERDEMDWEWEWDMWEEE 0.13
87 WREERDEMDWEWEWDMWDEE 0.13
88 WREGRDEMDWDWEWDMWDEE 0.13
89 WRWDRDEMDWDWEWEMWEDE 0.13
90 WRDDRDEMDWDWEWEMWGDE 0.13
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WRDDRDEMDWEWEWDMWEEE

3.75

-25.21

-21.46
2 WRDDRDEMDWEWEWDMWDDE

4.13

-25.53

-21.4
3 WREDRDEMDWDWEWDMWEDE

3.45

-24.06

-20.61
4 WREDRDEMDWDWEWDMWDDE

3.67

-21.51

-17.84
5 WRDERDEMDWDWEWDMWEDE

4.33

-22.0

-17.67
6 WRDDRDEMDWDWEWDMWEEE

3.43

-20.95

-17.52
7 WREDRDEMDWDWEWDMWGDE

4.95

-22.04

-17.09
8 WRDERDEMDWEWEWDMWEDE

4.03

-17.29

-13.26
9 WRWDRDEMDWDWEWDMWDEE

4.58

-15.38

-10.8
10 WRDDRDEMDWDWEWDMWGEE

4.14

-14.84

-10.7
11 WRDERDEMDWDWEWDMWDEE

3.67

-13.87

-10.2
12 WREDRDEMDWDWEWDMWEEE

4.37

-13.76

-9.39
13 WREERDEMDWDWEWDMWDDE

3.63

-11.56

-7.93
14 WRWDRDEMDWDWEWDMWEDE

3.11

-10.76

-7.65
15 WRDDRDEMDWDWEWDMWDDE

3.66

-10.83

-7.17
16 WRWERDEMDWDWEWDMWEDE

3.61

-9.72

-6.11
17 WRDGRDEMDWDWEWDMWDDE

3.77

-9.49

-5.72
18 WRDGRDEMDWDWEWDMWEDE

4.33

-9.85

-5.52
19 WRDDRDEMDWDWEWDMWGDE

4.22

-9.52

-5.3
20 WRDDRDEMDWEWEWDMWEDE

3.87

-8.46

-4.59
21 WRDERDEMDWDWEWDMWDDE

4.19

-8.57

-4.38
22 WRDDRDEMDWDWEWDMWDEE

3.55

-6.87

-3.32
23 WRDDRDEMDWDWEWDMWEDE

3.59

-6.62

-3.03
24 WREERDEMDWDWEWDMWEDE

3.28

-6.3

-3.02
25 WRWERDEMDWDWEWDMWDDE

2.98

-5.74

-2.76
26 WRDERDEMDWDWEWDMWEEE

3.09

-5.17

-2.08
27 WREDRDEMDWDWEWDMWDEE

2.97

-4.68

-1.71
28 WRWDRDEMDWDWEWDMWDDE

3.7

-4.56

-0.86
29 WRDERDEMDWDWEWDMWGDE

3.82

-1.75

2.07
30 WRWDRDEMDWDWEWDMWEEE

3.02

-0.03

2.99

 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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