Predicted ligand sequences


ADAN-name: 1IQ12.PDB (view again the scoring matrix)

PDB name: [1IQ1.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT M L K R R N V
position 1 2 3 4 5 6 7
poly-Ala
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 2.577 ΔGbinding -10.303
TOTAL
 -7.726
Backbone Hb -4.400 Cis_bond 0.000
Sidechain Hb -9.913 Torsional clash 0.695
Van der Waals -9.332 Backbone clash 2.859
Electrostatics -4.544 Helix dipole -0.212
Solvation Polar 18.912 Water bridges -0.156
Solvation Hyd -9.133 Disulfide 0.000
VdW clashes 0.072 Electrost. Kon -1.901
Entropy sc 3.847 Part.cov.bonds 0.000
Entropy mc

5.762

 ΔGstability

0.164
       

Predicted ligand sequences for template [1IQ12.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).
 
  1IQ12.PDB  

(data)
# Predicted Sequences Value Calculate
1 RMHYKHS 0.0
2 RMHYFHS 0.01
3 RLHYKHS 0.1
4 RMHYKHN 0.1
5 RLHYFHS 0.11
6 RMHYFHN 0.11
7 RMHFKHS 0.13
8 RMHFFHS 0.14
9 RLHYKHN 0.2
10 RLHYFHN 0.21
11 RLHFKHS 0.23
12 RMHFKHN 0.23
13 RMHFFHN 0.24
14 RLHFFHS 0.24
15 RMHYKFS 0.3
16 RMHYFFS 0.31
17 RLHFKHN 0.33
18 RLHFFHN 0.34
19 RLHYKFS 0.4
20 RMHYKFN 0.4
21 RMHYFFN 0.41
22 RLHYFFS 0.41
23 RMHFKFS 0.43
24 RMHFFFS 0.44
25 RLHYKFN 0.5
26 RLHYFFN 0.51
27 RLHFKFS 0.53
28 RMHFKFN 0.53
29 RMHYKHT 0.53
30 RLHFFFS 0.54
31 RMHFFFN 0.54
32 RMHYFHT 0.54
33 RLHFKFN 0.63
34 RLHYKHT 0.63
35 RLHYFHT 0.64
36 RLHFFFN 0.64
37 RMHFKHT 0.65
38 RMHFFHT 0.66
39 RMHYRHS 0.73
40 RLHFKHT 0.76
41 RIHYKHS 0.77
42 RLHFFHT 0.77
43 RIHYFHS 0.78
44 YMHYKHS 0.78
45 YMHYFHS 0.79
46 RLHYRHS 0.83
47 RMHYRHN 0.83
48 RMHYKFT 0.83
49 RMHYFFT 0.84
50 RMHFRHS 0.85
51 RIHYKHN 0.87
52 RIHYFHN 0.88
53 YMHYKHN 0.88
54 YMHYFHN 0.89
55 YLHYKHS 0.89
56 YLHYFHS 0.9
57 RIHFKHS 0.9
58 RIHFFHS 0.91
59 YMHFKHS 0.91
60 YMHFFHS 0.92
61 RLHYRHN 0.93
62 RLHYKFT 0.93
63 RLHYFFT 0.94
64 RMHFRHN 0.95
65 RLHFRHS 0.96
66 RMHFKFT 0.96
67 RMHFFFT 0.97
68 YLHYKHN 0.98
69 YLHYFHN 0.99
70 RIHFKHN 1.0
71 RIHFFHN 1.01
72 YLHFKHS 1.01
73 YMHFKHN 1.01
74 YMHFFHN 1.02
75 YLHFFHS 1.02
76 RMHYRFS 1.03
77 RLHFRHN 1.05
78 RLHFKFT 1.06
79 RLHFFFT 1.07
80 RIHYKFS 1.08
81 YMHYKFS 1.08
82 YMHYFFS 1.09
83 RIHYFFS 1.09
84 YLHFKHN 1.11
85 YLHFFHN 1.12
86 RLHYRFS 1.13
87 RMHYRFN 1.13
88 RMHFRFS 1.16
89 RIHYKFN 1.18
90 YMHYKFN 1.18
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RMHYFFN

1.57

-11.36

-9.79
2 RLHFFHN

1.53

-11.19

-9.66
3 RMHYFFS

1.9

-11.53

-9.63
4 RLHYFFN

1.59

-11.07

-9.48
5 RLHYKFS

1.35

-10.47

-9.12
6 RMHFFHN

1.39

-10.25

-8.86
7 RLHFKFS

1.39

-10.15

-8.76
8 RMHYKHN

1.47

-10.12

-8.65
9 RMHFFFS

1.46

-9.99

-8.53
10 RMHFFHS

1.44

-9.84

-8.4
11 RMHYFHS

1.85

-10.23

-8.38
12 RLHFFFS

1.87

-10.22

-8.35
13 RMHYKFS

1.77

-10.06

-8.29
14 RMHFKFS

1.31

-9.56

-8.25
15 RMHYFHN

1.83

-10.07

-8.24
16 RLHYKHN

1.66

-9.88

-8.22
17 RLHFKHN

1.3

-9.33

-8.03
18 RLHYFHN

1.8

-9.79

-7.99
19 RMHFKFN

2.09

-9.91

-7.82
20 RLHFFHS

1.39

-9.16

-7.77
21 RMHYKHS

1.27

-9.0

-7.73
22 RLHYKHS

1.34

-9.04

-7.7
23 RLHYFFS

1.68

-9.24

-7.56
24 RLHYKFN

2.07

-9.43

-7.36
25 RMHYKHT

1.51

-8.75

-7.24
26 RMHYKFN

2.73

-9.91

-7.18
27 RMHFKHS

1.3

-8.15

-6.85
28 RLHYFHS

1.89

-8.55

-6.66
29 RLHFKHS

1.29

-7.61

-6.32
30 RMHFKHN

1.45

-7.63

-6.18

 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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