Predicted ligand sequences


ADAN-name: 1IO62.PDB (view again the scoring matrix)

PDB name: [1IO6.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT R H Y R P L P P L P
position 1 2 3 4 5 6 7 8 9 10
poly-Ala
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 16.491 ΔGbinding -0.520
TOTAL
 15.971
Backbone Hb -0.010 Cis_bond 0.000
Sidechain Hb -0.050 Torsional clash 0.140
Van der Waals -10.060 Backbone clash 1.610
Electrostatics -2.130 Helix dipole 0.000
Solvation Polar 9.100 Water bridges -0.570
Solvation Hyd -14.070 Disulfide 0.000
VdW clashes 10.770 Electrost. Kon -1.560
Entropy sc 5.410 Part.cov.bonds 0.000
Entropy mc

2.510

 ΔGstability

115.680
       

Predicted ligand sequences for template [1IO62.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).
 
  1IO62.PDB  

(data)
# Predicted Sequences Value Calculate
1 RGGGFIGRLP 0.0
2 RGGGFIGGLP 0.01
3 RGGGFIGRLR 0.01
4 RGGGFIGPLP 0.01
5 RGGGFIGGLR 0.02
6 RGGGGIGRLP 0.02
7 RGGGFIGPLR 0.02
8 RGGGGIGGLP 0.03
9 RGGGGIGPLP 0.03
10 RRGGFIGRLP 0.04
11 RGGGGIGRLR 0.04
12 RGGGGIGPLR 0.04
13 RRGGFIGRLR 0.05
14 RGGGHIGPLP 0.05
15 RGGGHIGRLP 0.05
16 RGGGGIGGLR 0.05
17 RRGGFIGGLP 0.05
18 RRGGFIGPLP 0.05
19 RGGGHIGRLR 0.06
20 RRGGFIGGLR 0.06
21 RGGGHIGGLP 0.06
22 RRGGFIGPLR 0.06
23 RRGGGIGGLP 0.07
24 RGGGHIGPLR 0.07
25 RGGGHIGGLR 0.07
26 RRGGGIGPLP 0.07
27 RRGGGIGRLP 0.07
28 RRGGGIGPLR 0.08
29 RRGGGIGRLR 0.08
30 RRGGGIGGLR 0.09
31 RRGGHIGRLP 0.09
32 RRGGHIGGLP 0.1
33 RRGGHIGRLR 0.1
34 RRGGHIGPLP 0.1
35 RRGGHIGGLR 0.11
36 RRGGHIGPLR 0.11
37 RGGGFHGRLP 0.11
38 RGGGFHGGLP 0.12
39 RGGGFHGPLP 0.12
40 RHGGFIGRLP 0.12
41 RHGGFIGPLP 0.13
42 RHGGFIGGLP 0.13
43 RGGGFHGPLR 0.13
44 RGGGFHGRLR 0.13
45 RHGGFIGRLR 0.13
46 RGGGFHGGLR 0.14
47 RHGGFIGPLR 0.14
48 RGGGGHGRLP 0.14
49 RHGGGIGRLP 0.14
50 RHGGFIGGLR 0.14
51 RGGGGHGPLP 0.14
52 RGGGGHGRLR 0.15
53 RHGGGIGPLP 0.15
54 RGGGGHGGLP 0.15
55 RRGGFHGRLP 0.16
56 RRGGFHGPLP 0.16
57 RHGGGIGRLR 0.16
58 RGGGHHGRLP 0.16
59 RHGGGIGPLR 0.16
60 RGGGGHGGLR 0.16
61 RHGGGIGGLP 0.16
62 RGGGGHGPLR 0.16
63 RRGGFHGRLR 0.17
64 RHGGHIGRLP 0.17
65 RGGGHHGGLP 0.17
66 RRGGFHGPLR 0.17
67 RGGGHHGPLP 0.17
68 RHGGGIGGLR 0.17
69 RGGGFIGRLK 0.17
70 RRGGFHGGLP 0.17
71 RHGGHIGPLP 0.17
72 RRGGGHGRLP 0.18
73 RHGGHIGRLR 0.18
74 RGGGFIGGLK 0.18
75 RGGGHHGRLR 0.18
76 RHGGHIGGLP 0.18
77 RGGGHHGPLR 0.18
78 RGGGFIGPLK 0.18
79 RRGGFHGGLR 0.18
80 RGGGHHGGLR 0.19
81 RRGGGHGGLP 0.19
82 RHGGHIGGLR 0.19
83 RRGGGHGRLR 0.19
84 RRGGGHGPLP 0.19
85 RHGGHIGPLR 0.19
86 RGGGGIGPLK 0.2
87 RRGGGHGGLR 0.2
88 RRGGHHGRLP 0.2
89 RGGGGIGRLK 0.2
90 RRGGGHGPLR 0.2
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RGGGFIGRLP

6.4

-0.68

5.72
2 RGGGGIGPLP

6.34

-0.21

6.13
3 RGGGHIGRLP

6.22

0.0

6.22
4 RRGGGIGPLP

6.75

-0.5

6.25
5 RRGGFIGRLP

7.12

-0.83

6.29
6 RGGGGIGGLP

6.07

0.27

6.34
7 RGGGFIGPLP

6.24

0.15

6.39
8 RGGGFIGGLP

6.58

-0.09

6.49
9 RRGGFIGPLP

7.04

-0.55

6.49
10 RGGGHIGPLP

6.65

-0.03

6.62
11 RRGGFIGGLP

7.24

-0.51

6.73
12 RRGGGIGGLP

7.0

0.02

7.02
13 RGGGHIGGLP

6.79

0.53

7.32
14 RGGGGIGRLP

7.2

0.17

7.37
15 RGGGFIGPLR

6.67

0.8

7.47
16 RRGGGIGRLP

7.49

0.84

8.33
17 RGGGFIGGLR

11.93

-0.33

11.6
18 RRGGGIGGLR

12.86

-1.01

11.85
19 RGGGGIGPLR

11.9

-0.03

11.87
20 RGGGHIGPLR

12.28

-0.31

11.97
21 RRGGFIGGLR

12.82

-0.8

12.02
22 RRGGGIGPLR

12.81

-0.68

12.13
23 RGGGHIGRLR

12.32

0.13

12.45
24 RRGGFIGRLR

12.92

-0.42

12.5
25 RGGGGIGGLR

12.32

0.27

12.59
26 RRGGGIGRLR

12.72

-0.11

12.61
27 RGGGFIGRLR

15.24

-2.52

12.72
28 RGGGGIGRLR

12.3

0.43

12.73
29 RGGGHIGGLR

12.54

0.22

12.76
30 RRGGFIGPLR

13.07

0.21

13.28

 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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