Predicted ligand sequences


ADAN-name: 2FID2.PDB (view again the scoring matrix)

PDB name: [2FID.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT K A R Q K Q I Q E D W E L A E R L Q R 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 1.738 ΔGbinding -19.743
TOTAL
 -18.005
Backbone Hb -3.513 Cis_bond 0.000
Sidechain Hb -5.625 Torsional clash 0.414
Van der Waals -9.991 Backbone clash 0.030
Electrostatics -1.337 Helix dipole -0.003
Solvation Polar 10.422 Water bridges -0.072
Solvation Hyd -16.030 Disulfide 0.000
VdW clashes 0.347 Electrost. Kon -1.286
Entropy sc 4.514 Part.cov.bonds 0.000
Entropy mc

2.416

 ΔGstability

-11.031
       

Predicted ligand sequences for template [2FID2.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).
 
  2FID2.PDB  

(data)
# Predicted Sequences Value Calculate
1 SYRDEDDEMDFDFAWDMWDE 0.0
2 GYRDEDDEMDFDFAWDMWEE 0.01
3 GYRDEDDEMDFDFAWDMWDE 0.01
4 SYRDDDDEMDFDFAWDMWDE 0.01
5 AYRDDDDEMDFDFAWDMWDE 0.01
6 SYRDDDDEMDFDFAWDMWEE 0.01
7 GYRDDDDEMDFDFAWDMWDE 0.01
8 AYRDEDDEMDFDFAWDMWEE 0.01
9 AYRDEDDEMDFDFAWDMWDE 0.01
10 SYRDEDDEMDFDFAWDMWEE 0.01
11 SYRDEDDEMDFDFAWDMWTE 0.01
12 SYRDDDDEMDFDFAWDMWTE 0.02
13 AYRDDDDEMDFDFAWDMWEE 0.02
14 GYRDEDDEMDFDFAWDMWTE 0.02
15 GYRDDDDEMDFDFAWDMWEE 0.02
16 AYRDEDDEMDFDFAWDMWTE 0.02
17 SCRDEDDEMDFDFAWDMWDE 0.03
18 AYRDDDDEMDFDFAWDMWTE 0.03
19 GYRDDDDEMDFDFAWDMWTE 0.03
20 SCRDDDDEMDFDFAWDMWDE 0.03
21 SARDDDDEMDFDFAWDMWDE 0.03
22 SARDEDDEMDFDFAWDMWEE 0.03
23 SARDEDDEMDFDFAWDMWDE 0.03
24 SCRDEDDEMDFDFAWDMWEE 0.03
25 SCRDEDDEMDFDFAWDMWTE 0.04
26 AARDEDDEMDFDFAWDMWDE 0.04
27 SYRADDDEMDFDFAWDMWDE 0.04
28 GCRDEDDEMDFDFAWDMWEE 0.04
29 GCRDEDDEMDFDFAWDMWDE 0.04
30 GARDDDDEMDFDFAWDMWEE 0.04
31 AARDDDDEMDFDFAWDMWDE 0.04
32 GARDEDDEMDFDFAWDMWEE 0.04
33 SYRPDDDEMDFDFAWDMWDE 0.04
34 SCRDDDDEMDFDFAWDMWEE 0.04
35 AARDDDDEMDFDFAWDMWEE 0.04
36 GARDEDDEMDFDFAWDMWDE 0.04
37 SARDDDDEMDFDFAWDMWEE 0.04
38 ACRDEDDEMDFDFAWDMWEE 0.04
39 SYRPEDDEMDFDFAWDMWEE 0.04
40 GCRDDDDEMDFDFAWDMWEE 0.04
41 SARDEDDEMDFDFAWDMWTE 0.04
42 ACRDEDDEMDFDFAWDMWDE 0.04
43 SYRPEDDEMDFDFAWDMWDE 0.04
44 SYRAEDDEMDFDFAWDMWDE 0.04
45 ACRDDDDEMDFDFAWDMWDE 0.04
46 SYRAEDDEMDFDFAWDMWEE 0.04
47 ACRDDDDEMDFDFAWDMWEE 0.04
48 GARDDDDEMDFDFAWDMWDE 0.04
49 AARDEDDEMDFDFAWDMWEE 0.04
50 GCRDDDDEMDFDFAWDMWDE 0.04
51 SYRADDDEMDFDFAWDMWEE 0.05
52 AYRPEDDEMDFDFAWDMWEE 0.05
53 GCRDDDDEMDFDFAWDMWTE 0.05
54 GARDDDDEMDFDFAWDMWTE 0.05
55 AYRPDDDEMDFDFAWDMWDE 0.05
56 SYRDEVDEMDFDFAWDMWEE 0.05
57 SYRDEDDEMDFEFAWDMWDE 0.05
58 AYRPEDDEMDFDFAWDMWDE 0.05
59 SCRDDDDEMDFDFAWDMWTE 0.05
60 AYRAEDDEMDFDFAWDMWDE 0.05
61 SYRDEVDEMDFDFAWDMWDE 0.05
62 SYRDDVDEMDFDFAWDMWDE 0.05
63 SARDDDDEMDFDFAWDMWTE 0.05
64 AYRAEDDEMDFDFAWDMWEE 0.05
65 GCRDEDDEMDFDFAWDMWTE 0.05
66 GYRADDDEMDFDFAWDMWDE 0.05
67 GYRDEVDEMDFDFAWDMWDE 0.05
68 GYRPEDDEMDFDFAWDMWEE 0.05
69 AARDDDDEMDFDFAWDMWTE 0.05
70 SYRPDDDEMDFDFAWDMWEE 0.05
71 AYRADDDEMDFDFAWDMWDE 0.05
72 ACRDEDDEMDFDFAWDMWTE 0.05
73 GYRPEDDEMDFDFAWDMWDE 0.05
74 SYRAEDDEMDFDFAWDMWTE 0.05
75 GARDEDDEMDFDFAWDMWTE 0.05
76 ACRDDDDEMDFDFAWDMWTE 0.05
77 GYRPDDDEMDFDFAWDMWDE 0.05
78 AYRDEVDEMDFDFAWDMWDE 0.05
79 GYRAEDDEMDFDFAWDMWDE 0.05
80 SYRPEDDEMDFDFAWDMWTE 0.05
81 SYRDGDDEMDFDFAWDMWDE 0.05
82 GYRAEDDEMDFDFAWDMWEE 0.05
83 AARDEDDEMDFDFAWDMWTE 0.05
84 AYRPEDDEMDFDFAWDMWTE 0.06
85 AYRAEDDEMDFDFAWDMWTE 0.06
86 AYRDDVDEMDFDFAWDMWDE 0.06
87 SYRADDDEMDFDFAWDMWTE 0.06
88 SYRDDDDEMDFEFAWDMWEE 0.06
89 GYRDGDDEMDFDFAWDMWEE 0.06
90 AYRDDVDEMDFDFAWDMWEE 0.06
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 SCRDEDDEMDFDFAWDMWDE

0.54

-23.12

-22.58
2 SARDEDDEMDFDFAWDMWEE

0.52

-22.5

-21.98
3 GYRDEDDEMDFDFAWDMWTE

0.75

-22.55

-21.8
4 AARDEDDEMDFDFAWDMWDE

0.58

-22.27

-21.69
5 SYRDDDDEMDFDFAWDMWEE

0.66

-22.16

-21.5
6 AYRDDDDEMDFDFAWDMWTE

1.17

-22.59

-21.42
7 SYRADDDEMDFDFAWDMWDE

0.76

-21.88

-21.12
8 GYRDEDDEMDFDFAWDMWEE

1.15

-22.24

-21.09
9 GYRDDDDEMDFDFAWDMWEE

0.53

-21.61

-21.08
10 GCRDEDDEMDFDFAWDMWEE

1.12

-22.04

-20.92
11 GYRDDDDEMDFDFAWDMWTE

0.79

-21.69

-20.9
12 SYRDEDDEMDFDFAWDMWEE

0.66

-21.22

-20.56
13 SCRDEDDEMDFDFAWDMWEE

0.47

-21.02

-20.55
14 SARDEDDEMDFDFAWDMWDE

0.81

-21.34

-20.53
15 SYRDEDDEMDFDFAWDMWDE

0.6

-21.11

-20.51
16 AYRDEDDEMDFDFAWDMWTE

1.05

-21.51

-20.46
17 SYRDDDDEMDFDFAWDMWDE

0.76

-21.19

-20.43
18 AYRDDDDEMDFDFAWDMWEE

0.94

-21.25

-20.31
19 SCRDDDDEMDFDFAWDMWDE

0.54

-20.78

-20.24
20 SARDDDDEMDFDFAWDMWDE

1.17

-21.4

-20.23
21 AYRDEDDEMDFDFAWDMWEE

0.71

-20.73

-20.02
22 GYRDDDDEMDFDFAWDMWDE

1.51

-21.43

-19.92
23 AYRDEDDEMDFDFAWDMWDE

1.62

-21.51

-19.89
24 GCRDEDDEMDFDFAWDMWDE

0.62

-20.51

-19.89
25 GARDDDDEMDFDFAWDMWEE

0.94

-20.76

-19.82
26 SYRDEDDEMDFDFAWDMWTE

2.12

-21.93

-19.81
27 AYRDDDDEMDFDFAWDMWDE

0.87

-20.65

-19.78
28 GYRDEDDEMDFDFAWDMWDE

1.78

-21.44

-19.66
29 SCRDEDDEMDFDFAWDMWTE

1.18

-20.69

-19.51
30 SYRDDDDEMDFDFAWDMWTE

1.34

-20.61

-19.27

 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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