Predicted ligand sequences


ADAN-name: 1ELR2.PDB (view again the scoring matrix)

PDB name: [1ELR.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT M E E V D
position 1 2 3 4 5
poly-Ala 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    

(Help)

Intraclash 1.537 ΔGbinding -14.112
TOTAL
 -12.575
Backbone Hb -3.237 Cis_bond 0.000
Sidechain Hb -9.500 Torsional clash 0.090
Van der Waals -8.781 Backbone clash 0.504
Electrostatics -4.847 Helix dipole -0.050
Solvation Polar 16.358 Water bridges -0.177
Solvation Hyd -10.971 Disulfide 0.000
VdW clashes 0.195 Electrost. Kon -2.754
Entropy sc 6.674 Part.cov.bonds 0.000
Entropy mc

2.889

 ΔGstability

-36.638
       

Predicted ligand sequences for template [1ELR2.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).
 
  1ELR2.PDB  

(data)
# Predicted Sequences Value Calculate
1 MEDIE 0.0
2 IEDIE 0.02
3 HEDIE 0.33
4 KEDIE 0.42
5 FEDIE 0.49
6 MEMIE 0.55
7 MEWIE 0.56
8 IEMIE 0.56
9 IEWIE 0.57
10 MEFIE 0.73
11 IEFIE 0.75
12 MEEIE 0.75
13 MEDVE 0.77
14 IEEIE 0.77
15 IEDVE 0.79
16 HEMIE 0.88
17 HEWIE 0.89
18 KEWIE 0.97
19 KEMIE 0.97
20 MEDTE 0.98
21 IEDTE 1.0
22 FEMIE 1.03
23 FEWIE 1.04
24 HEFIE 1.07
25 HEEIE 1.08
26 HEDVE 1.1
27 KEFIE 1.15
28 KEEIE 1.17
29 KEDVE 1.19
30 FEFIE 1.22
31 FEEIE 1.24
32 FEDVE 1.26
33 MEDIQ 1.26
34 IEDIQ 1.27
35 HEDTE 1.31
36 MEMVE 1.32
37 IEMVE 1.33
38 MEWVE 1.33
39 IEWVE 1.34
40 KEDTE 1.4
41 FEDTE 1.47
42 MEFVE 1.5
43 IEFVE 1.52
44 MEEVE 1.52
45 MEMTE 1.53
46 MEWTE 1.54
47 IEMTE 1.54
48 IEEVE 1.54
49 IEWTE 1.55
50 HEDIQ 1.59
51 HEMVE 1.65
52 HEWVE 1.66
53 KEDIQ 1.68
54 MEFTE 1.72
55 MEETE 1.73
56 IEFTE 1.73
57 KEMVE 1.74
58 KEWVE 1.74
59 IEETE 1.75
60 FEDIQ 1.75
61 FEMVE 1.8
62 MEWIQ 1.81
63 FEWVE 1.81
64 MEMIQ 1.81
65 IEMIQ 1.82
66 IEWIQ 1.83
67 HEFVE 1.84
68 HEEVE 1.85
69 HEMTE 1.86
70 HEWTE 1.87
71 KEFVE 1.92
72 KEEVE 1.94
73 KEMTE 1.95
74 KEWTE 1.96
75 FEFVE 1.99
76 MEFIQ 1.99
77 FEEVE 2.01
78 IEFIQ 2.01
79 MEEIQ 2.01
80 FEMTE 2.02
81 FEWTE 2.02
82 IEEIQ 2.02
83 MEDVQ 2.03
84 IEDVQ 2.04
85 HEFTE 2.05
86 HEETE 2.06
87 KEFTE 2.13
88 HEMIQ 2.14
89 KEETE 2.15
90 HEWIQ 2.15
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 MEWIE

1.59

-17.15

-15.56
2 HEFIE

1.54

-16.84

-15.3
3 IEWIE

1.67

-16.45

-14.78
4 HEWIE

2.14

-16.42

-14.28
5 FEWIE

1.67

-15.66

-13.99
6 MEMIE

1.36

-15.23

-13.87
7 KEDIE

1.19

-14.88

-13.69
8 HEEIE

1.63

-15.27

-13.64
9 IEDVE

1.11

-14.51

-13.4
10 HEDVE

1.23

-14.12

-12.89
11 FEMIE

1.2

-13.91

-12.71
12 KEEIE

1.15

-13.65

-12.5
13 MEDIE

1.35

-13.48

-12.13
14 KEDVE

1.03

-13.12

-12.09
15 MEDVE

1.28

-13.2

-11.92
16 KEWIE

1.82

-13.73

-11.91
17 IEDIE

1.29

-12.99

-11.7
18 MEEIE

1.6

-12.93

-11.33
19 IEMIE

1.4

-12.47

-11.07
20 MEDTE

1.14

-12.14

-11.0
21 MEFIE

1.48

-12.44

-10.96
22 HEDIE

1.33

-12.22

-10.89
23 KEMIE

1.77

-12.64

-10.87
24 KEFIE

1.52

-12.13

-10.61
25 IEEIE

1.32

-11.88

-10.56
26 IEFIE

1.51

-12.03

-10.52
27 FEDIE

1.59

-12.09

-10.5
28 HEMIE

1.81

-12.11

-10.3
29 FEFIE

1.78

-11.91

-10.13
30 IEDTE

1.13

-10.93

-9.8

 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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