Predicted ligand sequences


ADAN-name: 1QWE2.PDB (view again the scoring matrix)

PDB name: [1QWE.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT A P P L P P R N R P R L
position 1 2 3 4 5 6 7 8 9 10 11 12
poly-Ala 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 18.057 ΔGbinding -7.510
TOTAL
 10.547
Backbone Hb -1.480 Cis_bond 0.000
Sidechain Hb -4.630 Torsional clash 0.510
Van der Waals -8.970 Backbone clash 1.560
Electrostatics -1.530 Helix dipole 0.000
Solvation Polar 9.890 Water bridges -0.510
Solvation Hyd -11.210 Disulfide 0.000
VdW clashes 4.070 Electrost. Kon -0.850
Entropy sc 4.240 Part.cov.bonds 0.000
Entropy mc

2.970

 ΔGstability

64.500
       

Predicted ligand sequences for template [1QWE2.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).
 
  1QWE2.PDB  

(data)
# Predicted Sequences Value Calculate
1 GKDGKHRMGRHH 0.0
2 GKDGKKRMGRHH 0.0
3 GKDGKGRMGHHH 0.0
4 GKDGKKRMGHHH 0.0
5 GKDGKGRMGRHH 0.0
6 GKDGKHRMGHHH 0.0
7 GKDGKHRMGRHR 0.02
8 GKDGKKRMGRHR 0.02
9 GKDGKGRMGHHR 0.02
10 GKDGKKRMGHHR 0.02
11 GKDGKGRMGRHR 0.02
12 GKDGKHRMGHHR 0.02
13 GKDGKHRMSHHH 0.03
14 GKDGKHRMGRHF 0.03
15 GKDGKHRMSRHH 0.03
16 GKDGKGRMSHHH 0.03
17 GKDGKGRMSRHH 0.03
18 GKDGKKRMGRHF 0.03
19 GKDGKGRMGHHF 0.03
20 GKDGKKRMGHHF 0.03
21 GKDGKGRMGRHF 0.03
22 GKDGKKRMSHHH 0.03
23 GKDGKHRMGHHF 0.03
24 GKDGKKRMSRHH 0.03
25 GKDGKHRMGRKH 0.04
26 GKDGKGRMARHH 0.04
27 GKDGKHRMGHKH 0.04
28 GKDGKGRMGRKH 0.04
29 GKDGKGRMGHKH 0.04
30 GKDGKKRMGHKH 0.04
31 GKDGKHRMARHH 0.04
32 GKDGKKRMARHH 0.04
33 GKDGKKRMAHHH 0.04
34 GKDGKHRMAHHH 0.04
35 GKDGKKRMGRKH 0.04
36 GKDGKGRMAHHH 0.04
37 GKDGKHRMSHHR 0.05
38 GKDGKHRMSRHR 0.05
39 GKDGKGRMSHHR 0.05
40 GKDGKGRMSRHR 0.05
41 GKDGKKRMSHHR 0.05
42 GKDGKKRMSRHR 0.05
43 GKIGKHRMGHHH 0.06
44 GKDGKHRMSHHF 0.06
45 GKDGKHRMGRKR 0.06
46 GKDGKHRMGAHH 0.06
47 GKIGKKRMGRHH 0.06
48 GKDGKGRMARHR 0.06
49 GKDGKHRMSRHF 0.06
50 GKDGKGRMSHHF 0.06
51 GKDGKKRMGAHH 0.06
52 GKDGKGRMSRHF 0.06
53 GKDGKHRMGHKR 0.06
54 GKLGKKRMGHHH 0.06
55 GKIGKGRMGHHH 0.06
56 GKLGKGRMGRHH 0.06
57 GKIGKGRMGRHH 0.06
58 GKDGKGRMGRKR 0.06
59 GKDGKGRMGHKR 0.06
60 GKIGKHRMGRHH 0.06
61 GKDGKKRMGHKR 0.06
62 GKDGKHRMARHR 0.06
63 GKLGKHRMGRHH 0.06
64 GKDGKKRMARHR 0.06
65 GKLGKKRMGRHH 0.06
66 GKDGKKRMSHHF 0.06
67 GKLGKHRMGHHH 0.06
68 GKDGKKRMAHHR 0.06
69 GKDGKHRMAHHR 0.06
70 GKLGKGRMGHHH 0.06
71 GKDGKGRMGAHH 0.06
72 GKDGKKRMGRKR 0.06
73 GKDGKGRMAHHR 0.06
74 GKDGKKRMSRHF 0.06
75 GKIGKKRMGHHH 0.06
76 GKDGKHRMGRKF 0.07
77 GKDGKHRMSRKH 0.07
78 GRDGKHRMGHHH 0.07
79 GKDGKGRMARHF 0.07
80 GKDGKGRMGRAH 0.07
81 GKDGKGRMSHKH 0.07
82 GKDGKHRMGHKF 0.07
83 GRDGKKRMGHHH 0.07
84 GKDGKHRMSHKH 0.07
85 GKDGKGRMGRKF 0.07
86 GKDGKGRMGHKF 0.07
87 GRDGKHRMGRHH 0.07
88 GKDGKHRMGHAH 0.07
89 GKDGKKRMSRKH 0.07
90 GKDGKKRMGHKF 0.07
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 GKDGKGRMGHHH

12.37

-6.19

6.18
2 GKDGKKRMGRHR

12.88

-6.6

6.28
3 GKDGKKRMGHHR

12.91

-6.61

6.3
4 GKDGKGRMGRHR

12.68

-5.99

6.69
5 GKDGKHRMGHHH

14.11

-7.15

6.96
6 GKDGKKRMGHHH

14.13

-7.02

7.11
7 GKDGKHRMGRKH

13.94

-6.75

7.19
8 GKDGKGRMGRKH

12.9

-5.71

7.19
9 GKDGKGRMGHKH

12.99

-5.79

7.2
10 GKDGKHRMSRHH

14.15

-6.89

7.26
11 GKDGKHRMGRHH

14.15

-6.83

7.32
12 GKDGKHRMGHHR

14.42

-7.1

7.32
13 GKDGKGRMSRHH

13.79

-6.46

7.33
14 GKDGKKRMSRHH

13.9

-6.57

7.33
15 GKDGKHRMGHKH

13.43

-6.05

7.38
16 GKDGKGRMARHH

13.31

-5.93

7.38
17 GKDGKGRMGHHF

13.46

-5.72

7.74
18 GKDGKHRMSHHH

13.78

-5.96

7.82
19 GKDGKKRMSHHH

13.52

-5.69

7.83
20 GKDGKHRMGHHF

14.25

-6.4

7.85
21 GKDGKGRMGHHR

14.44

-6.58

7.86
22 GKDGKGRMGRHH

13.44

-5.37

8.07
23 GKDGKHRMGRHF

14.32

-6.22

8.1
24 GKDGKHRMGRHR

14.48

-6.35

8.13
25 GKDGKGRMSHHH

13.81

-5.6

8.21
26 GKDGKGRMGRHF

14.43

-5.98

8.45
27 GKDGKKRMGRHH

14.26

-5.78

8.48
28 GKDGKKRMGRHF

15.62

-6.47

9.15
29 GKDGKKRMGHKH

15.02

-5.85

9.17
30 GKDGKKRMGHHF

15.42

-6.07

9.35

 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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