Predicted ligand sequences


ADAN-name: 1Q8T2.PDB (view again the scoring matrix)

PDB name: [1Q8T.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT T T Y A D F I A S G R T G R R N A I H D
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
G
A
A
 G
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 5.027 ΔGbinding -31.953
TOTAL
 -26.926
Backbone Hb -4.825 Cis_bond 0.000
Sidechain Hb -11.588 Torsional clash 1.691
Van der Waals -18.188 Backbone clash 0.265
Electrostatics -12.761 Helix dipole 0.123
Solvation Polar 27.676 Water bridges -0.539
Solvation Hyd -21.833 Disulfide 0.000
VdW clashes 0.299 Electrost. Kon -4.875
Entropy sc 7.880 Part.cov.bonds 0.000
Entropy mc

4.986

 ΔGstability

-50.609
       

Predicted ligand sequences for template [1Q8T2.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).
 
  1Q8T2.PDB  

(data)
# Predicted Sequences Value Calculate
1 ERYyRFRRARHRRRRRRIMW 0.0
2 DRYyRFRRARHRRRRRRIMW 0.02
3 ERYsRFRRARHRRRRRRIMW 0.04
4 ERYDRFRRARHRRRRRRIMW 0.04
5 sRYyRFRRARHRRRRRRIMW 0.05
6 DRYDRFRRARHRRRRRRIMW 0.06
7 DRYsRFRRARHRRRRRRIMW 0.06
8 EWYyRFRRARHRRRRRRIMW 0.07
9 sRYsRFRRARHRRRRRRIMW 0.08
10 sRYDRFRRARHRRRRRRIMW 0.08
11 ERFyRFRRARHRRRRRRIMW 0.09
12 DWYyRFRRARHRRRRRRIMW 0.1
13 EWYsRFRRARHRRRRRRIMW 0.11
14 EWYDRFRRARHRRRRRRIMW 0.11
15 DRFyRFRRARHRRRRRRIMW 0.11
16 sWYyRFRRARHRRRRRRIMW 0.12
17 ERFDRFRRARHRRRRRRIMW 0.13
18 ERFsRFRRARHRRRRRRIMW 0.13
19 DWYDRFRRARHRRRRRRIMW 0.13
20 DWYsRFRRARHRRRRRRIMW 0.13
21 sRFyRFRRARHRRRRRRIMW 0.14
22 DRFsRFRRARHRRRRRRIMW 0.15
23 DRFDRFRRARHRRRRRRIMW 0.15
24 sWYDRFRRARHRRRRRRIMW 0.16
25 sWYsRFRRARHRRRRRRIMW 0.16
26 EWFyRFRRARHRRRRRRIMW 0.17
27 sRFsRFRRARHRRRRRRIMW 0.18
28 sRFDRFRRARHRRRRRRIMW 0.18
29 DWFyRFRRARHRRRRRRIMW 0.19
30 EWFDRFRRARHRRRRRRIMW 0.2
31 ERYyLFRRARHRRRRRRIMW 0.2
32 EWFsRFRRARHRRRRRRIMW 0.2
33 sWFyRFRRARHRRRRRRIMW 0.21
34 ERYyRFRRQRHRRRRRRIMW 0.22
35 ERWyRFRRARHRRRRRRIMW 0.22
36 DRYyLFRRARHRRRRRRIMW 0.23
37 DWFDRFRRARHRRRRRRIMW 0.23
38 DWFsRFRRARHRRRRRRIMW 0.23
39 DRYyRFRRQRHRRRRRRIMW 0.24
40 ERYDLFRRARHRRRRRRIMW 0.24
41 DRWyRFRRARHRRRRRRIMW 0.24
42 ERYsLFRRARHRRRRRRIMW 0.24
43 sWFsRFRRARHRRRRRRIMW 0.25
44 ERYDRFRRQRHRRRRRRIMW 0.25
45 sWFDRFRRARHRRRRRRIMW 0.25
46 sRYyLFRRARHRRRRRRIMW 0.25
47 ERYsRFRRQRHRRRRRRIMW 0.25
48 sRYyRFRRQRHRRRRRRIMW 0.26
49 ERWsRFRRARHRRRRRRIMW 0.26
50 ERYyRFRKARHRRRRRRIMW 0.26
51 DRYDLFRRARHRRRRRRIMW 0.26
52 DRYsLFRRARHRRRRRRIMW 0.26
53 ERWDRFRRARHRRRRRRIMW 0.26
54 sRWyRFRRARHRRRRRRIMW 0.27
55 EWYyLFRRARHRRRRRRIMW 0.28
56 DRYyRFRKARHRRRRRRIMW 0.28
57 DRWDRFRRARHRRRRRRIMW 0.28
58 DRYsRFRRQRHRRRRRRIMW 0.28
59 DRYDRFRRQRHRRRRRRIMW 0.28
60 DRWsRFRRARHRRRRRRIMW 0.28
61 EWYyRFRRQRHRRRRRRIMW 0.29
62 sRYDLFRRARHRRRRRRIMW 0.29
63 ERYDRFRKARHRRRRRRIMW 0.29
64 sRYsLFRRARHRRRRRRIMW 0.29
65 EWWyRFRRARHRRRRRRIMW 0.29
66 ERYsRFRKARHRRRRRRIMW 0.29
67 sRWDRFRRARHRRRRRRIMW 0.3
68 sRWsRFRRARHRRRRRRIMW 0.3
69 ERYyRFRHARHRRRRRRIMW 0.3
70 sRYDRFRRQRHRRRRRRIMW 0.3
71 sRYsRFRRQRHRRRRRRIMW 0.3
72 ERFyLFRRARHRRRRRRIMW 0.3
73 DWYyLFRRARHRRRRRRIMW 0.3
74 sRYyRFRKARHRRRRRRIMW 0.3
75 EWYsLFRRARHRRRRRRIMW 0.31
76 ERFyRFRRQRHRRRRRRIMW 0.31
77 EWYDLFRRARHRRRRRRIMW 0.31
78 DRYDRFRKARHRRRRRRIMW 0.31
79 DWYyRFRRQRHRRRRRRIMW 0.31
80 DRYsRFRKARHRRRRRRIMW 0.32
81 DRFyLFRRARHRRRRRRIMW 0.32
82 sWYyLFRRARHRRRRRRIMW 0.32
83 DWWyRFRRARHRRRRRRIMW 0.32
84 ERFDLFRRARHRRRRRRIMW 0.33
85 EWYDRFRRQRHRRRRRRIMW 0.33
86 EWWDRFRRARHRRRRRRIMW 0.33
87 EWYsRFRRQRHRRRRRRIMW 0.33
88 DRYyRFRHARHRRRRRRIMW 0.33
89 ERFsLFRRARHRRRRRRIMW 0.33
90 EWWsRFRRARHRRRRRRIMW 0.33
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 EWFDRFRRARHRRRRRRIMW

5.55

-41.67

-36.12
2 ERYDRFRRARHRRRRRRIMW

5.63

-41.66

-36.03
3 ERFyRFRRARHRRRRRRIMW

5.24

-40.54

-35.3
4 DWYyRFRRARHRRRRRRIMW

5.32

-40.26

-34.94
5 ERYyRFRRARHRRRRRRIMW

5.36

-40.1

-34.74
6 DWYsRFRRARHRRRRRRIMW

5.07

-39.66

-34.59
7 sRYyRFRRARHRRRRRRIMW

5.63

-40.1

-34.47
8 ERFsRFRRARHRRRRRRIMW

5.79

-40.11

-34.32
9 sRFDRFRRARHRRRRRRIMW

5.87

-39.99

-34.12
10 sRFsRFRRARHRRRRRRIMW

6.02

-40.13

-34.11
11 DRYDRFRRARHRRRRRRIMW

5.37

-39.4

-34.03
12 DWYDRFRRARHRRRRRRIMW

5.95

-39.86

-33.91
13 DRFyRFRRARHRRRRRRIMW

5.25

-39.04

-33.79
14 EWYDRFRRARHRRRRRRIMW

5.61

-39.37

-33.76
15 ERYsRFRRARHRRRRRRIMW

5.48

-39.2

-33.72
16 EWFyRFRRARHRRRRRRIMW

5.46

-38.84

-33.38
17 DWFyRFRRARHRRRRRRIMW

6.51

-39.6

-33.09
18 DRYsRFRRARHRRRRRRIMW

5.81

-38.9

-33.09
19 sWYsRFRRARHRRRRRRIMW

5.86

-38.92

-33.06
20 ERFDRFRRARHRRRRRRIMW

5.12

-37.93

-32.81
21 sRYsRFRRARHRRRRRRIMW

5.48

-38.12

-32.64
22 sRFyRFRRARHRRRRRRIMW

5.4

-38.02

-32.62
23 sWYyRFRRARHRRRRRRIMW

5.4

-37.98

-32.58
24 DRFsRFRRARHRRRRRRIMW

5.79

-38.17

-32.38
25 sRYDRFRRARHRRRRRRIMW

6.19

-38.44

-32.25
26 EWYyRFRRARHRRRRRRIMW

5.06

-37.17

-32.11
27 sWYDRFRRARHRRRRRRIMW

6.03

-37.76

-31.73
28 DRFDRFRRARHRRRRRRIMW

5.91

-36.96

-31.05
29 DRYyRFRRARHRRRRRRIMW

5.44

-35.22

-29.78
30 EWYsRFRRARHRRRRRRIMW

5.66

-34.8

-29.14

 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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