Predicted ligand sequences


ADAN-name: 2DRM2.PDB (view again the scoring matrix)

PDB name: [2DRM.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT A K P V P P P R G A K P A P P P R
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17
poly-Ala
A
 A A
A
 A A
A
 A
G
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 3.000 ΔGbinding -19.490
TOTAL
 -16.490
Backbone Hb -5.110 Cis_bond 0.000
Sidechain Hb -8.120 Torsional clash 0.110
Van der Waals -13.110 Backbone clash 0.640
Electrostatics -2.900 Helix dipole 0.000
Solvation Polar 16.220 Water bridges -1.850
Solvation Hyd -15.500 Disulfide 0.000
VdW clashes 0.340 Electrost. Kon -1.930
Entropy sc 8.840 Part.cov.bonds 0.000
Entropy mc

3.500

 ΔGstability

-9.360
       

Predicted ligand sequences for template [2DRM2.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).
 
  2DRM2.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRRNMFGFMHRKIRDDR 0.0
2 RRRNMFVFMHRKIRDDR 0.01
3 RRRNMFTFMHRKIRDDR 0.01
4 RRPNMFGFMHRKIRDDR 0.01
5 RRPNMFTFMHRKIRDDR 0.02
6 RRRNMPGFMHRKIRDDR 0.02
7 RRPNMFVFMHRKIRDDR 0.02
8 RRPNMPGFMHRKIRDDR 0.03
9 RRRNMFGFMFRKIRDDR 0.03
10 RRRNMFGFMIRKIRDDR 0.03
11 RRRNMPVFMHRKIRDDR 0.03
12 RRRKMFGFMHRKIRDDR 0.03
13 RRRNMPTFMHRKIRDDR 0.03
14 RRPKMFGFMHRKIRDDR 0.04
15 RRRNMFVFMFRKIRDDR 0.04
16 RRRNMFVFMIRKIRDDR 0.04
17 RRRNMPGFMFRKIRDDR 0.04
18 RRPNMFGFMFRKIRDDR 0.04
19 RRRRMFGFMHRKIRDDR 0.04
20 RRRKMFTFMHRKIRDDR 0.04
21 RRRKMFVFMHRKIRDDR 0.04
22 RRPNMPTFMHRKIRDDR 0.04
23 RRRNMFTFMIRKIRDDR 0.04
24 RRPNMPVFMHRKIRDDR 0.04
25 RRRNMFTFMFRKIRDDR 0.04
26 RRRNMPVFMFRKIRDDR 0.05
27 RRRRMFTFMHRKIRDDR 0.05
28 RRRNMPGFMIRKIRDDR 0.05
29 RRRNMPTFMFRKIRDDR 0.05
30 RRPKMFVFMHRKIRDDR 0.05
31 RRPKMFTFMHRKIRDDR 0.05
32 RRPRMFGFMHRKIRDDR 0.05
33 RRRKMFGFMFRKIRDDR 0.05
34 RRRKMPGFMHRKIRDDR 0.05
35 RRRNMFGFMHRKIREDR 0.05
36 RRPNMFTFMFRKIRDDR 0.05
37 RRRNMFGFMHRKIRDER 0.05
38 RRPNMFVFMFRKIRDDR 0.05
39 RRPNMFGFMIRKIRDDR 0.05
40 RRRRMFVFMHRKIRDDR 0.05
41 RRRNMFTFMHRKIREDR 0.06
42 RRPNMPGFMFRKIRDDR 0.06
43 RRRKMFTFMFRKIRDDR 0.06
44 RRRNMPVFMIRKIRDDR 0.06
45 RRRKMPVFMHRKIRDDR 0.06
46 RRRKMFVFMFRKIRDDR 0.06
47 RRRRMPGFMHRKIRDDR 0.06
48 HRRNMFGFMHRKIRDDR 0.06
49 RRPNMFVFMIRKIRDDR 0.06
50 RRPRMFVFMHRKIRDDR 0.06
51 RRPRMFTFMHRKIRDDR 0.06
52 RRRRMFGFMFRKIRDDR 0.06
53 RRRKMPTFMHRKIRDDR 0.06
54 RRRNMPTFMIRKIRDDR 0.06
55 RRRNMFVFMHRKIRDER 0.06
56 RRRNMFTFMHRKIRDER 0.06
57 RRRNMFVFMHRKIREDR 0.06
58 RRPKMPGFMHRKIRDDR 0.06
59 RRPNMFTFMIRKIRDDR 0.06
60 RRRKMFGFMIRKIRDDR 0.06
61 RRRNMPGFMHRKIRDER 0.07
62 RRPNMPTFMFRKIRDDR 0.07
63 RRPKMFGFMFRKIRDDR 0.07
64 RRPNMFVFMHRKIRDER 0.07
65 RRRKMFTFMIRKIRDDR 0.07
66 RRPKMPVFMHRKIRDDR 0.07
67 HRRNMFVFMHRKIRDDR 0.07
68 RRPNMPVFMFRKIRDDR 0.07
69 RRPRMPGFMHRKIRDDR 0.07
70 RRRRMPTFMHRKIRDDR 0.07
71 HRRNMFTFMHRKIRDDR 0.07
72 RRPNMFTFMHRKIRDER 0.07
73 RRPNMFVFMHRKIREDR 0.07
74 RRPNMFGFMHRKIREDR 0.07
75 RRRRMFGFMIRKIRDDR 0.07
76 RRRRMFTFMFRKIRDDR 0.07
77 RRPNMFTFMHRKIREDR 0.07
78 RRPNMPGFMIRKIRDDR 0.07
79 RRRKMPGFMFRKIRDDR 0.07
80 RRPNMFGFMHRKIRDER 0.07
81 RRRRMFVFMFRKIRDDR 0.07
82 RRRNMPGFMHRKIREDR 0.07
83 RRRRMPVFMHRKIRDDR 0.07
84 RRPKMPTFMHRKIRDDR 0.07
85 HRPNMFGFMHRKIRDDR 0.07
86 RRRKMFVFMIRKIRDDR 0.07
87 RRPKMFTFMFRKIRDDR 0.08
88 RRRNMPTFMHRKIRDER 0.08
89 RRRKMFGFMHRKIREDR 0.08
90 RRRRMFTFMIRKIRDDR 0.08
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRPNMPGFMHRKIRDDR

4.87

-30.44

-25.57
2 RRPNMPVFMHRKIRDDR

4.85

-29.14

-24.29
3 RRRNMFGFMFRKIRDDR

5.72

-29.95

-24.23
4 RRRNMPGFMIRKIRDDR

5.3

-29.2

-23.9
5 RRRNMPGFMFRKIRDDR

5.13

-28.68

-23.55
6 RRRNMFTFMFRKIRDDR

5.2

-28.52

-23.32
7 RRRNMPTFMHRKIRDDR

5.05

-28.26

-23.21
8 RRRKMFVFMHRKIRDDR

4.85

-27.89

-23.04
9 RRPKMFVFMHRKIRDDR

4.91

-27.82

-22.91
10 RRPNMFTFMHRKIRDDR

5.79

-28.5

-22.71
11 RRRNMFTFMIRKIRDDR

4.66

-27.27

-22.61
12 RRRRMFTFMHRKIRDDR

5.52

-27.54

-22.02
13 RRRNMFVFMFRKIRDDR

5.02

-27.0

-21.98
14 RRRNMFGFMIRKIRDDR

4.75

-26.65

-21.9
15 RRRNMFVFMIRKIRDDR

4.38

-25.9

-21.52
16 RRRNMPVFMFRKIRDDR

5.77

-27.19

-21.42
17 RRRNMFTFMHRKIRDDR

4.85

-26.12

-21.27
18 RRPNMPTFMHRKIRDDR

4.89

-26.01

-21.12
19 RRPNMFGFMFRKIRDDR

5.42

-26.24

-20.82
20 RRRNMFGFMHRKIRDDR

5.45

-26.08

-20.63
21 RRRNMPTFMFRKIRDDR

5.17

-25.72

-20.55
22 RRRNMPGFMHRKIRDDR

5.1

-25.52

-20.42
23 RRRNMPVFMHRKIRDDR

5.09

-25.38

-20.29
24 RRRNMFVFMHRKIRDDR

5.33

-25.59

-20.26
25 RRPNMFGFMHRKIRDDR

4.72

-24.76

-20.04
26 RRPNMFVFMHRKIRDDR

5.72

-25.7

-19.98
27 RRRKMFGFMHRKIRDDR

5.09

-24.92

-19.83
28 RRPKMFGFMHRKIRDDR

4.69

-24.47

-19.78
29 RRRRMFGFMHRKIRDDR

5.53

-24.21

-18.68
30 RRRKMFTFMHRKIRDDR

6.9

-24.85

-17.95

 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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