Predicted ligand sequences


ADAN-name: 2DRM3.PDB (view again the scoring matrix)

PDB name: [2DRM.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT A K P A P P P R
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 1.689 ΔGbinding -9.480
TOTAL
 -7.791
Backbone Hb -2.170 Cis_bond 0.000
Sidechain Hb -2.170 Torsional clash 0.040
Van der Waals -7.660 Backbone clash 0.460
Electrostatics -0.870 Helix dipole 0.000
Solvation Polar 7.530 Water bridges -0.220
Solvation Hyd -9.770 Disulfide 0.000
VdW clashes 0.660 Electrost. Kon -0.670
Entropy sc 3.400 Part.cov.bonds 0.000
Entropy mc

2.420

 ΔGstability

-11.490
       

Predicted ligand sequences for template [2DRM3.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).
 
  2DRM3.PDB  

(data)
# Predicted Sequences Value Calculate
1 HRREMFGF 0.0
2 HRREMFTF 0.02
3 HRRKMFGF 0.03
4 HRRKMFTF 0.05
5 HRPEMFGF 0.06
6 HRRDMFGF 0.06
7 HRRDMFTF 0.08
8 HRPEMFTF 0.09
9 HRPKMFGF 0.09
10 KRREMFGF 0.09
11 KRREMFTF 0.11
12 HRREMFGL 0.12
13 HRPDMFGF 0.12
14 HRPKMFTF 0.12
15 HRKEMFGF 0.12
16 RRREMFGF 0.12
17 KRRKMFGF 0.12
18 KRRKMFTF 0.14
19 HRKEMFTF 0.14
20 RRREMFTF 0.14
21 HRREMFTL 0.14
22 KRPEMFGF 0.15
23 HRRKMFGL 0.15
24 HRREMFFF 0.15
25 KRRDMFGF 0.15
26 HRKKMFGF 0.15
27 HRPDMFTF 0.15
28 RRRKMFGF 0.15
29 RRRKMFTF 0.17
30 HRKKMFTF 0.17
31 KRRDMFTF 0.17
32 HRKDMFGF 0.18
33 RRPEMFGF 0.18
34 HRRKMFTL 0.18
35 HRRKMFFF 0.18
36 HRRDMFGL 0.18
37 KRPKMFGF 0.18
38 KRPEMFTF 0.18
39 RRRDMFGF 0.18
40 HRPEMFGL 0.19
41 RRPEMFTF 0.2
42 HRKDMFTF 0.2
43 HRRDMFTL 0.2
44 HRREMYGF 0.2
45 RRRDMFTF 0.2
46 RRPKMFGF 0.21
47 KRPDMFGF 0.21
48 HRRDMFFF 0.21
49 HRPEMFTL 0.21
50 HRPEMFFF 0.21
51 KRKEMFGF 0.21
52 KRPKMFTF 0.21
53 KRREMFGL 0.21
54 HRREMYTF 0.22
55 HRPKMFGL 0.22
56 KRKEMFTF 0.23
57 HRRKMYGF 0.23
58 KRREMFTL 0.23
59 RRPDMFGF 0.24
60 KRPDMFTF 0.24
61 KRKKMFGF 0.24
62 HRPKMFFF 0.24
63 RRKEMFGF 0.24
64 KRREMFFF 0.24
65 HRPKMFTL 0.24
66 HRKEMFGL 0.24
67 RRPKMFTF 0.24
68 RRREMFGL 0.24
69 KRRKMFGL 0.24
70 HRREMFGN 0.25
71 HRRKMYTF 0.25
72 HRPDMFGL 0.25
73 HRPEMYGF 0.26
74 KRKKMFTF 0.26
75 HRRDMYGF 0.26
76 HRKEMFTL 0.26
77 RRREMFTL 0.26
78 RRKEMFTF 0.26
79 KRKDMFGF 0.27
80 HRKKMFGL 0.27
81 HRPDMFFF 0.27
82 RRPDMFTF 0.27
83 HRKEMFFF 0.27
84 KRRKMFTL 0.27
85 RRREMFFF 0.27
86 RRKKMFGF 0.27
87 HRREMFFL 0.27
88 KRRKMFFF 0.27
89 KRRDMFGL 0.27
90 HRREKFGF 0.27
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 KRRDMFGF

1.71

-10.74

-9.03
2 HRPKMFGF

1.54

-10.3

-8.76
3 KRPEMFGF

1.4

-10.16

-8.76
4 HRPEMFGF

1.58

-10.34

-8.76
5 HRPEMFTF

1.45

-10.18

-8.73
6 HRPDMFGF

1.61

-10.15

-8.54
7 RRREMFTF

1.87

-10.26

-8.39
8 RRRKMFTF

1.91

-10.26

-8.35
9 HRREMFGF

1.76

-10.08

-8.32
10 RRREMFGF

1.96

-10.24

-8.28
11 HRRDMFGF

2.14

-10.38

-8.24
12 RRRKMFGF

1.91

-10.1

-8.19
13 HRREMFFF

1.94

-10.09

-8.15
14 HRPDMFTF

1.7

-9.72

-8.02
15 HRRKMFTF

1.69

-9.7

-8.01
16 HRKKMFGF

1.75

-9.72

-7.97
17 HRKEMFGF

1.84

-9.77

-7.93
18 HRRKMFGL

2.01

-9.86

-7.85
19 HRPKMFTF

1.58

-9.42

-7.84
20 HRREMFGL

2.09

-9.91

-7.82
21 KRRKMFGF

1.69

-9.48

-7.79
22 HRKKMFTF

1.63

-9.37

-7.74
23 HRREMFTF

2.18

-9.91

-7.73
24 HRRKMFGF

1.93

-9.65

-7.72
25 KRRKMFTF

1.87

-9.27

-7.4
26 HRKEMFTF

1.9

-9.29

-7.39
27 HRRDMFTF

1.94

-9.23

-7.29
28 KRREMFGF

2.49

-9.57

-7.08
29 HRREMFTL

2.31

-9.09

-6.78
30 KRREMFTF

2.25

-8.26

-6.01

 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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