Predicted ligand sequences


ADAN-name: 1OL53.PDB (view again the scoring matrix)

PDB name: [1OL5.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT N I D S W F E E K A N L E N
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14
poly-Ala A A
A
 A
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 1.975 ΔGbinding -14.624
TOTAL
 -12.649
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -3.487 Torsional clash 0.925
Van der Waals -8.353 Backbone clash 0.843
Electrostatics -3.546 Helix dipole 0.024
Solvation Polar 9.795 Water bridges -0.250
Solvation Hyd -12.318 Disulfide 0.000
VdW clashes 0.181 Electrost. Kon -2.772
Entropy sc 3.284 Part.cov.bonds 0.000
Entropy mc

1.892

 ΔGstability

-20.891
       

Predicted ligand sequences for template [1OL53.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).
 
  1OL53.PDB  

(data)
# Predicted Sequences Value Calculate
1 DEETWFYEEFyELP 0.0
2 DEETWFYDEFyELP 0.0
3 DEETWFYDEFySLP 0.03
4 DEETWFYEEFySLP 0.04
5 DEETWFYDEFyILP 0.04
6 sEETWFYDEFyELP 0.04
7 sEETWFYEEFyELP 0.04
8 DEETWFYpEFyELP 0.04
9 DEETWFYEEFyILP 0.05
10 DEETWFYDEFyEsP 0.06
11 DEETWFYDEFDELP 0.06
12 DEETWFYEEFDELP 0.06
13 DEETWFYEEFyEsP 0.06
14 DEETWFYEEFpELP 0.07
15 DEETWFYpEFySLP 0.07
16 DEETWFYEEFyELy 0.07
17 DEETWFYDEFpELP 0.07
18 DEETWFYDEFyEyP 0.07
19 DEETWFYDEFyELy 0.07
20 sEETWFYEEFySLP 0.07
21 DEETWFYEEFyEyP 0.07
22 sEETWFYDEFySLP 0.07
23 sEETWFYEEFyILP 0.08
24 sEETWFYpEFyELP 0.08
25 DEETWFYpEFyILP 0.08
26 sEETWFYDEFyILP 0.08
27 DEETWFYpEFDELP 0.09
28 DEETWFYEEFDSLP 0.09
29 DEETWFYDEFySsP 0.09
30 DEETWFYEEFySsP 0.09
31 DEETWFYDEFDSLP 0.09
32 DEETWFYEEFySLy 0.1
33 DEETWFYEEFDILP 0.1
34 DEETWFYDEFySyP 0.1
35 DEETWFYDEFDILP 0.1
36 sEETWFYDEFyELy 0.1
37 DEETWFYDEFyIsP 0.1
38 DEETWFYDEFySLy 0.1
39 sEETWFYDEFDELP 0.1
40 sEETWFYEEFDELP 0.1
41 sEETWFYEEFyEsP 0.1
42 DEETWFYDEFpSLP 0.1
43 DEETWFYpEFyELy 0.1
44 DEETWFYEEFyIsP 0.1
45 DEETWFYEEFpSLP 0.1
46 DEETWFYpEFyEsP 0.1
47 sEETWFYDEFyEsP 0.1
48 DEETWFYDEFpILP 0.11
49 DEETWFYEEFyILy 0.11
50 DEETWFYDEFyILy 0.11
51 sEETWFYDEFyEyP 0.11
52 DEETWFYDEFDEsP 0.11
53 sEETWFYEEFyELy 0.11
54 DEETWFYDEFyIyP 0.11
55 DEETWFYEEFpILP 0.11
56 DEETWFYpEFpELP 0.11
57 sEETWFYEEFpELP 0.11
58 sEETWFYEEFyEyP 0.11
59 sEETWFYDEFpELP 0.11
60 sEETWFYpEFySLP 0.11
61 DEETWFYEEFySyP 0.11
62 DEETWFYpEFyEyP 0.11
63 DEETWFYEEFDEsP 0.12
64 DEETWFYEEFyIyP 0.12
65 DEETWFYDEFyEsy 0.12
66 DEETWFYDEFDELy 0.12
67 DEETWFYEEFDELy 0.12
68 sEETWFYpEFyILP 0.12
69 DEETWFYDEFpEsP 0.13
70 sEETWFYEEFySsP 0.13
71 sEETWFYDEFySsP 0.13
72 DEETWFYEEFDEyP 0.13
73 sEETWFYpEFDELP 0.13
74 DEETWFYpEFySsP 0.13
75 sEETWFYpEFyEsP 0.13
76 DEETWFYDEFpELy 0.13
77 sEETWFYEEFDSLP 0.13
78 DEETWFYDEFDEyP 0.13
79 sEETWFYDEFDSLP 0.13
80 DEETWFYEEFpEsP 0.13
81 DEETWFYEEFyEsy 0.13
82 DEETWFYpEFDSLP 0.13
83 DEETWFYEEFpELy 0.14
84 sEETWFYEEFDILP 0.14
85 DEETWFYpEFySLy 0.14
86 DEETWFYpEFyIsP 0.14
87 DEETWFYpEFpSLP 0.14
88 sEETWFYpEFyELy 0.14
89 sEETWFYDEFyIsP 0.14
90 DEETWFYEEFpEyP 0.14
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DEETWFYDEFyEsP

1.81

-20.16

-18.35
2 DEETWFYDEFDELP

1.89

-19.49

-17.6
3 DEETWFYEEFyILP

2.2

-19.18

-16.98
4 DEETWFYEEFyEsP

2.02

-18.9

-16.88
5 DEETWFYpEFySLP

1.81

-18.61

-16.8
6 DEETWFYEEFyEyP

1.83

-18.56

-16.73
7 DEETWFYpEFDELP

2.21

-18.37

-16.16
8 DEETWFYpEFyILP

2.08

-18.22

-16.14
9 DEETWFYDEFySsP

1.91

-16.93

-15.02
10 DEETWFYDEFyELP

2.01

-17.0

-14.99
11 DEETWFYEEFyELP

1.98

-16.91

-14.93
12 DEETWFYEEFySsP

2.25

-17.07

-14.82
13 DEETWFYpEFyELP

2.03

-16.66

-14.63
14 DEETWFYEEFySLP

2.37

-16.38

-14.01
15 sEETWFYEEFyILP

2.23

-16.1

-13.87
16 DEETWFYDEFySLP

1.89

-15.6

-13.71
17 DEETWFYEEFDSLP

2.63

-16.19

-13.56
18 sEETWFYDEFyILP

2.05

-14.97

-12.92
19 sEETWFYDEFyELP

1.99

-14.9

-12.91
20 sEETWFYEEFySLP

1.98

-14.42

-12.44
21 DEETWFYDEFyELy

2.76

-13.14

-10.38
22 sEETWFYDEFySLP

3.42

-13.71

-10.29
23 DEETWFYDEFyEyP

2.88

-9.67

-6.79
24 sEETWFYEEFyELP

3.91

-9.99

-6.08
25 DEETWFYEEFDELP

6.35

-12.21

-5.86
26 DEETWFYDEFyILP

5.86

-10.88

-5.02
27 sEETWFYpEFyELP

6.18

-10.53

-4.35
28 DEETWFYDEFpELP

2.92

-7.27

-4.35
29 DEETWFYEEFyELy

4.84

-9.1

-4.26
30 DEETWFYEEFpELP

3.22

-7.38

-4.16

 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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