Predicted ligand sequences


ADAN-name: 1YWO2.PDB (view again the scoring matrix)

PDB name: [1YWO.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT Q P P V P P Q R P M
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 2.750 ΔGbinding -13.420
TOTAL
 -10.670
Backbone Hb -1.760 Cis_bond 0.000
Sidechain Hb -5.460 Torsional clash 0.050
Van der Waals -6.730 Backbone clash 0.670
Electrostatics -2.110 Helix dipole 0.000
Solvation Polar 7.080 Water bridges -0.220
Solvation Hyd -8.240 Disulfide 0.000
VdW clashes 0.260 Electrost. Kon -0.940
Entropy sc 3.590 Part.cov.bonds 0.000
Entropy mc

1.070

 ΔGstability

-10.420
       

Predicted ligand sequences for template [1YWO2.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).
 
  1YWO2.PDB  

(data)
# Predicted Sequences Value Calculate
1 IRPWPFHRRC 0.0
2 IRPWPFHRRA 0.0
3 IRPWPFHRRG 0.0
4 IRPFPFHRRC 0.01
5 IRPFPFHRRA 0.01
6 IRPFPFHRRG 0.01
7 IRPWPFWRRG 0.01
8 IRPWPFWRRC 0.01
9 IRPWPFWRRA 0.01
10 IRPFPFWRRC 0.02
11 IRPFPFWRRA 0.02
12 IRPFPFWRRG 0.02
13 LRPWPFHRRG 0.03
14 LRPWPFHRRA 0.03
15 LRPWPFHRRC 0.03
16 IRPWPFGRRG 0.03
17 IRPWPFGRRC 0.03
18 IRPWPFGRRA 0.03
19 LRPFPFHRRA 0.04
20 LRPFPFHRRC 0.04
21 LRPFPFHRRG 0.04
22 IRPFPFGRRC 0.04
23 IRPFPFGRRA 0.04
24 IRPFPFGRRG 0.04
25 IRPYPFHRRA 0.04
26 IRPYPFHRRC 0.04
27 IRPYPFHRRG 0.04
28 LRPWPFWRRC 0.04
29 LRPWPFWRRG 0.04
30 LRPWPFWRRA 0.04
31 ERPWPFHRRG 0.05
32 IRPYPFWRRG 0.05
33 IRPYPFWRRA 0.05
34 IRPYPFWRRC 0.05
35 ERPWPFHRRC 0.05
36 ERPWPFHRRA 0.05
37 LRPFPFWRRG 0.05
38 LRPFPFWRRA 0.05
39 LRPFPFWRRC 0.05
40 IRPWPMHRRA 0.05
41 IRPWPMHRRC 0.05
42 IRPWPMHRRG 0.05
43 LRPWPFGRRA 0.06
44 LRPWPFGRRC 0.06
45 LRPWPFGRRG 0.06
46 IRPFPMHRRG 0.06
47 IRPFPMHRRA 0.06
48 IRPFPMHRRC 0.06
49 IRPWPMWRRG 0.06
50 IRPWPMWRRA 0.06
51 IRPWPMWRRC 0.06
52 ERPFPFHRRG 0.06
53 ERPFPFHRRC 0.06
54 ERPFPFHRRA 0.06
55 ERPWPFWRRA 0.06
56 ERPWPFWRRG 0.06
57 ERPWPFWRRC 0.06
58 ERPFPFWRRG 0.07
59 ERPFPFWRRC 0.07
60 ERPFPFWRRA 0.07
61 LRPYPFHRRC 0.07
62 LRPYPFHRRA 0.07
63 LRPYPFHRRG 0.07
64 IRPFPMWRRA 0.07
65 IRPFPMWRRC 0.07
66 IRPFPMWRRG 0.07
67 LRPFPFGRRG 0.07
68 LRPFPFGRRA 0.07
69 LRPFPFGRRC 0.07
70 IRPWPWHRRC 0.07
71 IRPWPWHRRA 0.07
72 IRPWPWHRRG 0.07
73 IRPYPFGRRG 0.07
74 IRPYPFGRRA 0.07
75 IRPYPFGRRC 0.07
76 ERPWPFGRRC 0.08
77 ERPWPFGRRA 0.08
78 ERPWPFGRRG 0.08
79 LRPYPFWRRC 0.08
80 LRPYPFWRRG 0.08
81 IRPWPMGRRG 0.08
82 IRPWPMGRRA 0.08
83 IRPWPMGRRC 0.08
84 LRPWPMHRRA 0.08
85 IRPWPWWRRC 0.08
86 IRPWPWWRRA 0.08
87 IRPWPWWRRG 0.08
88 LRPYPFWRRA 0.08
89 IRPFPWHRRG 0.08
90 IRPFPWHRRC 0.08
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 IRPFPFHRRG

1.3

-16.81

-15.51
2 IRPFPFWRRG

1.49

-16.89

-15.4
3 IRPFPFGRRA

1.6

-16.97

-15.37
4 IRPFPFHRRA

1.03

-16.26

-15.23
5 IRPWPFGRRG

1.22

-16.42

-15.2
6 LRPWPFWRRG

1.28

-16.44

-15.16
7 IRPWPFHRRG

1.25

-16.27

-15.02
8 IRPFPFWRRC

1.05

-16.05

-15.0
9 LRPFPFHRRG

1.33

-16.33

-15.0
10 IRPFPFWRRA

1.28

-16.09

-14.81
11 IRPWPFHRRA

1.22

-15.98

-14.76
12 IRPYPFHRRG

1.34

-16.04

-14.7
13 IRPFPFHRRC

1.33

-15.91

-14.58
14 IRPWPFWRRC

1.46

-15.98

-14.52
15 IRPWPFWRRG

1.2

-15.42

-14.22
16 LRPWPFHRRA

1.1

-15.29

-14.19
17 IRPWPFGRRA

1.15

-15.31

-14.16
18 LRPWPFHRRG

1.29

-15.38

-14.09
19 LRPWPFWRRA

1.06

-15.11

-14.05
20 IRPFPFGRRG

1.37

-15.39

-14.02
21 LRPFPFHRRA

1.03

-15.0

-13.97
22 IRPYPFHRRC

1.18

-15.08

-13.9
23 IRPWPFGRRC

1.2

-15.05

-13.85
24 LRPWPFHRRC

1.24

-15.07

-13.83
25 IRPFPFGRRC

1.29

-15.12

-13.83
26 IRPWPFWRRA

1.26

-15.03

-13.77
27 LRPWPFWRRC

1.43

-15.19

-13.76
28 IRPYPFHRRA

1.18

-14.92

-13.74
29 LRPFPFHRRC

1.23

-14.86

-13.63
30 IRPWPFHRRC

2.46

-15.16

-12.7

 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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