Predicted ligand sequences


ADAN-name: 1L6O2.PDB (view again the scoring matrix)

PDB name: [1L6O.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT S L K L M T T V
position 1 2 3 4 5 6 7 8
poly-Ala
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 7.566 ΔGbinding -9.370
TOTAL
 -1.804
Backbone Hb -9.600 Cis_bond 0.000
Sidechain Hb -0.200 Torsional clash 0.460
Van der Waals -10.970 Backbone clash 3.690
Electrostatics -0.430 Helix dipole 0.080
Solvation Polar 15.440 Water bridges -0.630
Solvation Hyd -14.800 Disulfide 0.000
VdW clashes 0.460 Electrost. Kon -0.480
Entropy sc 4.520 Part.cov.bonds 0.000
Entropy mc

6.780

 ΔGstability

45.140
       

Predicted ligand sequences for template [1L6O2.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).
 
  1L6O2.PDB  

(data)
# Predicted Sequences Value Calculate
1 GMYFLDWF 0.0
2 GMYFLMWF 0.0
3 GMYFMDWF 0.07
4 GMYFMMWF 0.07
5 GMYMLDWF 0.13
6 GMYMLMWF 0.13
7 GMYLLMWF 0.14
8 GMYLLDWF 0.14
9 GMYFLDWI 0.15
10 GMYFLMWI 0.15
11 GMYMMDWF 0.2
12 GMYMMMWF 0.2
13 PMYFLMWF 0.21
14 GMYLMMWF 0.21
15 GMYLMDWF 0.21
16 PMYFLDWF 0.21
17 GMYFMMWI 0.22
18 GMYFMDWI 0.22
19 PMYFMMWF 0.28
20 PMYFMDWF 0.28
21 GMYMLDWI 0.28
22 GMYMLMWI 0.28
23 GMYLLMWI 0.29
24 GMYLLDWI 0.29
25 GMYFLCWF 0.3
26 PMYMLMWF 0.34
27 PMYMLDWF 0.34
28 PMYLLDWF 0.35
29 GMYMMDWI 0.35
30 GMYMMMWI 0.35
31 PMYLLMWF 0.35
32 GMYLMMWI 0.36
33 PMYFLMWI 0.36
34 GMYLMDWI 0.36
35 PMYFLDWI 0.36
36 GMYFMCWF 0.37
37 PMYMMMWF 0.41
38 PMYMMDWF 0.41
39 PMYLMMWF 0.42
40 PMYLMDWF 0.42
41 GMYMLCWF 0.43
42 PMYFMDWI 0.43
43 GMYLLCWF 0.44
44 PMYFMMWI 0.44
45 GMYFLCWI 0.45
46 GMYFLDMF 0.46
47 GMYFLMMF 0.46
48 PMYMLDWI 0.49
49 PMYLLDWI 0.5
50 PMYMLMWI 0.5
51 PMYLLMWI 0.5
52 GMYMMCWF 0.5
53 PMYFLCWF 0.51
54 GMYLMCWF 0.51
55 GMYFMDMF 0.53
56 GMYFMCWI 0.53
57 GMYFMMMF 0.53
58 PMYMMDWI 0.56
59 PMYMMMWI 0.57
60 PMYLMMWI 0.57
61 PMYLMDWI 0.57
62 GMYMLCWI 0.58
63 PMYFMCWF 0.58
64 GMYMLDMF 0.59
65 GMYLLCWI 0.59
66 GMYMLMMF 0.59
67 GMYLLDMF 0.6
68 GMYLLMMF 0.6
69 GMYFLDMI 0.61
70 GMYFLMMI 0.61
71 PMYMLCWF 0.64
72 PMYLLCWF 0.65
73 GMYMMMMF 0.66
74 GMYMMDMF 0.66
75 GMYLMCWI 0.66
76 GMYMMCWI 0.66
77 GMYLMMMF 0.67
78 GMYLMDMF 0.67
79 PMYFLMMF 0.67
80 PMYFLCWI 0.67
81 PMYFLDMF 0.67
82 GMYFMDMI 0.68
83 GMYFMMMI 0.68
84 PMYMMCWF 0.71
85 PMYLMCWF 0.72
86 PMYFMDMF 0.74
87 PMYFMCWI 0.74
88 GMYMLDMI 0.74
89 GMYMLMMI 0.74
90 PMYFMMMF 0.74
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 GMYMLDWI

6.85

-15.5

-8.65
2 GMYLLDWF

6.47

-15.05

-8.58
3 GMYMLDWF

6.18

-14.75

-8.57
4 PMYFMDWF

7.04

-15.58

-8.54
5 GMYMMMWI

8.08

-16.59

-8.51
6 GMYLLMWI

7.51

-15.78

-8.27
7 GMYLMDWF

6.34

-14.59

-8.25
8 PMYLLDWF

6.75

-14.92

-8.17
9 PMYMLDWF

7.4

-15.37

-7.97
10 GMYMLMWI

6.51

-14.44

-7.93
11 GMYFLMWI

7.47

-15.39

-7.92
12 GMYFLDWI

6.61

-14.49

-7.88
13 GMYFLDWF

6.53

-14.41

-7.88
14 GMYFMDWI

6.67

-14.52

-7.85
15 PMYFLDWF

6.75

-14.55

-7.8
16 GMYMMDWI

6.53

-14.3

-7.77
17 GMYLLDWI

6.65

-14.34

-7.69
18 GMYMMDWF

6.46

-14.04

-7.58
19 GMYFLCWF

5.85

-13.23

-7.38
20 GMYFMDWF

6.91

-14.21

-7.3
21 PMYMLMWF

7.04

-14.32

-7.28
22 GMYFMMWI

7.44

-14.48

-7.04
23 GMYLLMWF

6.51

-9.9

-3.39
24 GMYMLMWF

6.79

-10.1

-3.31
25 GMYFLMWF

12.0

-9.73

2.27
26 PMYFMMWF

12.61

-9.92

2.69
27 GMYLMMWF

10.89

-7.76

3.13
28 PMYFLMWF

8.64

-5.5

3.14
29 GMYMMMWF

13.56

-7.37

6.19
30 GMYFMMWF

11.84

-5.15

6.69

 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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