Predicted ligand sequences


ADAN-name: 1B9Y2.PDB (view again the scoring matrix)

PDB name: [1B9Y.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT E G Q A T H T G P K G V I N D W R K F K
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
poly-Ala
A
 G
A
A
A
A
A
 G
A
A
G
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 8.289 ΔGbinding -30.758
TOTAL
 -22.469
Backbone Hb -5.325 Cis_bond 0.000
Sidechain Hb -10.338 Torsional clash 0.759
Van der Waals -15.364 Backbone clash 0.885
Electrostatics -5.015 Helix dipole -0.043
Solvation Polar 19.797 Water bridges -0.120
Solvation Hyd -22.560 Disulfide 0.000
VdW clashes 0.939 Electrost. Kon -2.677
Entropy sc 6.127 Part.cov.bonds 0.000
Entropy mc

3.062

 ΔGstability

102.604
       

Predicted ligand sequences for template [1B9Y2.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).
 
  1B9Y2.PDB  

(data)
# Predicted Sequences Value Calculate
1 RGKVHRRNPRGVRHDFRKFG 0.0
2 RGKVHRRNPRGVRHDFHKFG 0.01
3 RGKVHRRNPRGVKHDFRKFG 0.03
4 RGKVHRRNPRGVKHDFHKFG 0.04
5 RGKVHRRNPRGVRHDFRWFG 0.05
6 RGKVHRRNPRGVRHDFKKFG 0.05
7 RGKVRRRNPRGVRHDFRKFG 0.05
8 RGKVHRRNPRGVRHDFHWFG 0.06
9 RGKVRRRNPRGVRHDFHKFG 0.06
10 RGKVHRRNPRGVKHDFRWFG 0.07
11 RGKVHRRWPRGVRHDFRKFG 0.08
12 RGKVHRRNPRGVKHDFHWFG 0.08
13 RGKVHRRNPRGVRHDFRTFG 0.08
14 RGKVHRRNPRGVKHDFKKFG 0.08
15 RGKVRRRNPRGVKHDFRKFG 0.08
16 RGKVHRRNPRGVRHDFRKFA 0.08
17 RGKVHRRNPRGVRHDFHKFA 0.09
18 RGKVHRRWPRGVRHDFHKFG 0.09
19 RGKVHRRNPRGVRHDFHTFG 0.09
20 RGKVHRRNPRGVRHDFRKFS 0.09
21 RGKVRRRNPRGVKHDFHKFG 0.09
22 RGKVHRRNPRGVRHDFHKFS 0.1
23 RGKVRRRNPRGVRHDFKKFG 0.1
24 RGKVRRRNPRGVRHDFRWFG 0.1
25 RGKVHRRNPRGVKHDFRKFA 0.1
26 RGKVHRRNPRGVRHDFKWFG 0.1
27 RGKVHRRNPRGVKHDFRKFS 0.11
28 RGKVHRRWPRGVKHDFRKFG 0.11
29 RGKVRRRNPRGVRHDFHWFG 0.11
30 RGKVHRRNPRGVKHDFRTFG 0.11
31 RGKVHRRNPRGVKHDFHKFA 0.11
32 RGKVHRRNPRGVKHDFHTFG 0.12
33 RGKVRRRNPRGVKHDFRWFG 0.12
34 RGKVHRRNPRGVKHDFKWFG 0.12
35 RGKVHRRWPRGVKHDFHKFG 0.12
36 RGKVHRRNPRGVRHDFRWFA 0.13
37 RGKVHRRNPRGVRHDFKKFA 0.13
38 RRKVHRRNPRGVRHDFRKFG 0.13
39 RGKVHRRWPRGVRHDFKKFG 0.13
40 RGKVRRRNPRGVRHDFRKFA 0.13
41 RGKVHRRNPRGVRHDFKTFG 0.13
42 RGKVHRRNPRGVKHDFHKFS 0.13
43 RGKVRRRNPRGVKHDFKKFG 0.13
44 RGKVRRRWPRGVRHDFRKFG 0.13
45 RGKVRRRNPRGVRHDFRTFG 0.13
46 RGKVHRRWPRGVRHDFRWFG 0.13
47 RGKVHRRNPRGVRHDFRWFS 0.14
48 RGKVHRRNPRGVRHDFKKFS 0.14
49 RGKVRRRNPRGVRHDFHKFA 0.14
50 RGKVRRRWPRGVRHDFHKFG 0.14
51 RGKVHRRNPRGVRHDFHWFA 0.14
52 RGKVRRRNPRGVKHDFHWFG 0.14
53 RGKVRRRNPRGVRHDFRKFS 0.14
54 RGKVHRRWPRGVRHDFHWFG 0.14
55 RGKVRRRNPRGVRHDFHTFG 0.14
56 RGKVHRRWPRGVKHDFRWFG 0.15
57 RGKVHRRNPRGVRHDFHWFS 0.15
58 RGKVRRRNPRGVRHDFKWFG 0.15
59 RGKVHRRNPRGVKHDFKKFA 0.15
60 RGKVRRRNPRGVKHDFRKFA 0.15
61 RGKVHRRNPRGVKHDFRWFA 0.15
62 RRKVHRRNPRGVRHDFHKFG 0.15
63 RGKVRRRNPRGVRHDFHKFS 0.15
64 RGKVRRRWPRGVKHDFRKFG 0.16
65 RGKVRRRNPRGVKHDFRTFG 0.16
66 RGKVHRRWPRGVKHDFKKFG 0.16
67 RGKVHRRWPRGVRHDFRKFA 0.16
68 RGKVHRRWPRGVRHDFRTFG 0.16
69 RRKVHRRNPRGVKHDFRKFG 0.16
70 RGKVHRRNPRGVKHDFHWFA 0.16
71 RGKVHRRNPRGVRHDFRTFA 0.16
72 RGKVHRRWPRGVKHDFHWFG 0.16
73 RGKVHRRNPRGVKHDFKTFG 0.16
74 RGKVHRRNPRGVKHDFRWFS 0.16
75 RGKVRRRNPRGVKHDFHKFA 0.16
76 RGKVRRRNPRGVKHDFHTFG 0.17
77 RGKVHRRWPRGVRHDFHTFG 0.17
78 RGKVHRRWPRGVRHDFRKFS 0.17
79 RGKVHRRWPRGVRHDFHKFA 0.17
80 RGKVHRRNPRGVKHDFHWFS 0.17
81 RGKVHRRNPRGVRHDFRTFS 0.17
82 RGKVRRRWPRGVKHDFHKFG 0.17
83 RGKVHRRNPRGVKHDFKKFS 0.17
84 RGKVRRRNPRGVKHDFRKFS 0.17
85 RGKVHRRNPRGVRHDFHTFA 0.17
86 RGKVRRRNPRGVKHDFKWFG 0.17
87 RRKVHRRNPRGVKHDFHKFG 0.17
88 RGKVHRRNPRGVRHDFKWFA 0.17
89 RGKVHRRWPRGVRHDFKWFG 0.18
90 RGKVRRRNPRGVRHDFKTFG 0.18
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RGKVRRRNPRGVRHDFRWFG

11.94

-24.27

-12.33
2 RGKVHRRNPRGVRHDFRKFS

11.84

-24.15

-12.31
3 RGKVRRRNPRGVKHDFHKFG

12.01

-24.24

-12.23
4 RGKVHRRNPRGVRHDFKKFG

12.09

-24.31

-12.22
5 RGKVHRRNPRGVKHDFRKFS

12.12

-24.25

-12.13
6 RGKVHRRNPRGVRHDFRTFG

12.15

-24.15

-12.0
7 RGKVHRRNPRGVRHDFHKFG

12.14

-24.11

-11.97
8 RGKVHRRNPRGVRHDFKWFG

11.98

-23.92

-11.94
9 RGKVHRRNPRGVKHDFRTFG

12.21

-24.13

-11.92
10 RGKVHRRNPRGVKHDFKKFG

12.02

-23.85

-11.83
11 RGKVRRRNPRGVRHDFHKFG

12.33

-24.05

-11.72
12 RGKVRRRNPRGVRHDFHWFG

12.45

-24.06

-11.61
13 RGKVHRRNPRGVKHDFRKFA

12.21

-23.82

-11.61
14 RGKVHRRNPRGVRHDFHWFG

12.35

-23.92

-11.57
15 RGKVHRRNPRGVRHDFHKFA

12.08

-23.65

-11.57
16 RGKVHRRNPRGVKHDFRKFG

12.64

-24.18

-11.54
17 RGKVHRRNPRGVKHDFHWFG

12.07

-23.58

-11.51
18 RGKVHRRNPRGVRHDFRKFG

12.24

-23.73

-11.49
19 RGKVHRRNPRGVKHDFRWFG

12.56

-24.04

-11.48
20 RGKVRRRNPRGVRHDFKKFG

12.42

-23.86

-11.44
21 RGKVHRRNPRGVRHDFHKFS

12.52

-23.92

-11.4
22 RGKVHRRNPRGVRHDFHTFG

12.51

-23.9

-11.39
23 RGKVRRRNPRGVKHDFRKFG

12.07

-23.44

-11.37
24 RGKVHRRNPRGVRHDFRWFG

12.19

-23.3

-11.11
25 RGKVHRRNPRGVKHDFHKFG

12.76

-23.86

-11.1
26 RGKVRRRNPRGVRHDFRKFG

12.49

-23.42

-10.93
27 RGKVHRRNPRGVRHDFRKFA

12.88

-23.76

-10.88
28 RGKVHRRWPRGVRHDFRKFG

14.89

-21.24

-6.35
29 RGKVHRRWPRGVKHDFRKFG

14.82

-20.6

-5.78
30 RGKVHRRWPRGVRHDFHKFG

15.07

-20.74

-5.67

 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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