Predicted ligand sequences


ADAN-name: 1Q1T2.PDB (view again the scoring matrix)

PDB name: [1Q1T.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT K K K R K V E Y
position 1 2 3 4 5 6 7 8
poly-Ala
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 2.462 ΔGbinding -9.243
TOTAL
 -6.781
Backbone Hb -4.825 Cis_bond 0.000
Sidechain Hb -8.187 Torsional clash 1.249
Van der Waals -10.043 Backbone clash 4.561
Electrostatics -2.249 Helix dipole -0.019
Solvation Polar 17.528 Water bridges 0.083
Solvation Hyd -11.897 Disulfide 0.000
VdW clashes 1.103 Electrost. Kon -1.445
Entropy sc 5.147 Part.cov.bonds 0.000
Entropy mc

4.313

 ΔGstability

-49.252
       

Predicted ligand sequences for template [1Q1T2.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).
 
  1Q1T2.PDB  

(data)
# Predicted Sequences Value Calculate
1 GHRMHRHY 0.0
2 GHRMHRFY 0.03
3 GHRMHRMY 0.05
4 GRRMHRHY 0.07
5 GRRMHRFY 0.09
6 GRRMHRMY 0.11
7 GHRHHRHY 0.11
8 GHRHHRFY 0.14
9 WHRMHRHY 0.14
10 GHRHHRMY 0.16
11 WHRMHRFY 0.17
12 GRRHHRHY 0.17
13 WHRMHRMY 0.19
14 AHRMHRHY 0.2
15 WRRMHRHY 0.2
16 GRRHHRFY 0.2
17 GHHMHRHY 0.22
18 GRRHHRMY 0.22
19 GHRMMRHY 0.22
20 WRRMHRFY 0.23
21 AHRMHRFY 0.23
22 AHRMHRMY 0.24
23 GHRMMRFY 0.25
24 WHRHHRHY 0.25
25 GHHMHRFY 0.25
26 WRRMHRMY 0.25
27 ARRMHRHY 0.26
28 GHHMHRMY 0.26
29 GHRMMRMY 0.27
30 GRHMHRHY 0.28
31 WHRHHRFY 0.28
32 WHRHHRMY 0.29
33 ARRMHRFY 0.29
34 GRRMMRHY 0.29
35 AHRHHRHY 0.31
36 ARRMHRMY 0.31
37 GHKMHRHY 0.31
38 GRHMHRFY 0.31
39 WRRHHRHY 0.31
40 GRRMMRFY 0.32
41 GHRHMRHY 0.33
42 GHHHHRHY 0.33
43 GRHMHRMY 0.33
44 GHKMHRFY 0.34
45 WRRHHRFY 0.34
46 AHRHHRFY 0.34
47 GRRMMRMY 0.34
48 AHRHHRMY 0.35
49 GHKMHRMY 0.35
50 WHHMHRHY 0.35
51 WRRHHRMY 0.36
52 GHRHMRFY 0.36
53 WHRMMRHY 0.36
54 GHHHHRFY 0.36
55 ARRHHRHY 0.37
56 GRKMHRHY 0.37
57 GHHHHRMY 0.37
58 WHHMHRFY 0.38
59 GHRHMRMY 0.38
60 WHRMMRFY 0.39
61 GRHHHRHY 0.39
62 ARRHHRFY 0.4
63 GRRHMRHY 0.4
64 WHHMHRMY 0.4
65 GRKMHRFY 0.4
66 WHRMMRMY 0.41
67 AHHMHRHY 0.41
68 GRHHHRFY 0.42
69 ARRHHRMY 0.42
70 WRHMHRHY 0.42
71 GHKHHRHY 0.42
72 AHRMMRHY 0.42
73 GRKMHRMY 0.42
74 GRRHMRFY 0.43
75 WRRMMRHY 0.43
76 GRHHHRMY 0.44
77 GHHMMRHY 0.44
78 AHHMHRFY 0.44
79 AHRMMRFY 0.45
80 GRRHMRMY 0.45
81 GHKHHRFY 0.45
82 WRHMHRFY 0.45
83 WHKMHRHY 0.45
84 GHKHHRMY 0.46
85 AHHMHRMY 0.46
86 WRRMMRFY 0.46
87 WHHHHRHY 0.46
88 WRRMMRMY 0.47
89 WRHMHRMY 0.47
90 GHHMMRFY 0.47
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 GRRHHRMY

2.48

-12.84

-10.36
2 GRRMHRMY

2.72

-12.66

-9.94
3 WRRMHRMY

2.51

-11.77

-9.26
4 GRHMHRHY

2.22

-11.36

-9.14
5 WRRMHRFY

2.73

-11.68

-8.95
6 GHRHHRFY

2.33

-11.18

-8.85
7 GHHMHRHY

1.73

-10.27

-8.54
8 GRRMHRFY

2.64

-11.14

-8.5
9 AHRMHRMY

2.32

-10.48

-8.16
10 WHRMHRMY

2.62

-10.6

-7.98
11 GHRMHRHY

3.1

-10.85

-7.75
12 GRRHHRFY

3.12

-10.84

-7.72
13 GHRMMRMY

2.06

-9.75

-7.69
14 GHHMHRFY

2.01

-9.59

-7.58
15 GRRMHRHY

3.66

-11.19

-7.53
16 WHRMHRFY

2.16

-9.44

-7.28
17 WHRMHRHY

2.09

-9.22

-7.13
18 WHRHHRHY

2.58

-9.67

-7.09
19 AHRMHRFY

2.98

-9.72

-6.74
20 GHRHHRMY

1.98

-8.63

-6.65
21 GHRMHRFY

2.92

-9.27

-6.35
22 GHRMMRHY

1.99

-8.24

-6.25
23 AHRMHRHY

2.33

-8.36

-6.03
24 GHRMHRMY

2.28

-8.22

-5.94
25 ARRMHRHY

2.63

-8.38

-5.75
26 GHRMMRFY

2.15

-7.6

-5.45
27 GHHMHRMY

1.7

-7.06

-5.36
28 GRRHHRHY

2.94

-7.88

-4.94
29 GHRHHRHY

1.77

-5.6

-3.83
30 WRRMHRHY

3.16

-6.62

-3.46

 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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