Predicted ligand sequences


ADAN-name: 2OS62.PDB (view again the scoring matrix)

PDB name: [2OS6.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT V E N K V T D L
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 2.395 ΔGbinding -3.850
TOTAL
 -1.455
Backbone Hb -5.190 Cis_bond 0.000
Sidechain Hb -2.570 Torsional clash 0.080
Van der Waals -7.620 Backbone clash 1.670
Electrostatics -0.400 Helix dipole 0.050
Solvation Polar 12.690 Water bridges -0.500
Solvation Hyd -9.770 Disulfide 0.000
VdW clashes 0.390 Electrost. Kon -0.610
Entropy sc 4.060 Part.cov.bonds 0.000
Entropy mc

5.540

 ΔGstability

45.000
       

Predicted ligand sequences for template [2OS62.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).
 
  2OS62.PDB  

(data)
# Predicted Sequences Value Calculate
1 HMHMMMEM 0.0
2 RMHMMMEM 0.01
3 AMHMMMEM 0.02
4 HMRMMMEM 0.02
5 RMRMMMEM 0.03
6 AMRMMMEM 0.04
7 HMHWMMEM 0.08
8 RMHWMMEM 0.09
9 AMHWMMEM 0.1
10 HMRWMMEM 0.1
11 HMDMMMEM 0.1
12 HMHMDMEM 0.11
13 RMDMMMEM 0.11
14 RMRWMMEM 0.11
15 AMRWMMEM 0.12
16 AMDMMMEM 0.12
17 RMHMDMEM 0.12
18 HMHMLMEM 0.13
19 AMHMDMEM 0.13
20 HMRMDMEM 0.13
21 RMHMLMEM 0.14
22 RMRMDMEM 0.14
23 HMRMLMEM 0.15
24 AMRMDMEM 0.15
25 AMHMLMEM 0.15
26 RMRMLMEM 0.16
27 AMRMLMEM 0.17
28 HMDWMMEM 0.18
29 HMHWDMEM 0.19
30 RMDWMMEM 0.19
31 AMDWMMEM 0.2
32 RMHWDMEM 0.2
33 HMHMMMMM 0.2
34 HMHWLMEM 0.21
35 HMDMDMEM 0.21
36 HMRWDMEM 0.21
37 AMHWDMEM 0.21
38 RMHMMMMM 0.21
39 RMRWDMEM 0.22
40 HMRMMMMM 0.22
41 RMDMDMEM 0.22
42 RMHWLMEM 0.22
43 AMHMMMMM 0.22
44 AMRWDMEM 0.23
45 AMDMDMEM 0.23
46 HMRWLMEM 0.23
47 AMHWLMEM 0.23
48 HMDMLMEM 0.23
49 RMRMMMMM 0.23
50 RMRWLMEM 0.24
51 AMRMMMMM 0.24
52 RMDMLMEM 0.24
53 AMDMLMEM 0.25
54 AMRWLMEM 0.25
55 HMHWMMMM 0.28
56 HMDWDMEM 0.29
57 RMHWMMMM 0.29
58 HMRWMMMM 0.3
59 HMDMMMMM 0.3
60 AMHWMMMM 0.3
61 RMDWDMEM 0.3
62 RMRWMMMM 0.31
63 HMDWLMEM 0.31
64 AMDWDMEM 0.31
65 HMHMDMMM 0.31
66 RMDMMMMM 0.31
67 RMHMDMMM 0.32
68 RMDWLMEM 0.32
69 AMDMMMMM 0.32
70 AMRWMMMM 0.32
71 HMRMDMMM 0.33
72 AMHMDMMM 0.33
73 HMHMMMQM 0.33
74 AMDWLMEM 0.33
75 HMHMLMMM 0.33
76 RMRMDMMM 0.34
77 RMHMLMMM 0.34
78 RMHMMMQM 0.34
79 HMRMMMQM 0.35
80 AMHMMMQM 0.35
81 HKHMMMEM 0.35
82 HMRMLMMM 0.35
83 AMRMDMMM 0.35
84 AMHMLMMM 0.35
85 RMRMMMQM 0.36
86 RKHMMMEM 0.36
87 RMRMLMMM 0.36
88 AMRMMMQM 0.37
89 AKHMMMEM 0.37
90 HKRMMMEM 0.37
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 HMDMMMEM

2.54

-10.89

-8.35
2 RMHMMMEM

2.29

-10.56

-8.27
3 RMRMLMEM

2.64

-10.82

-8.18
4 AMRMLMEM

2.69

-10.8

-8.11
5 AMHMLMEM

2.41

-10.42

-8.01
6 HMHMLMEM

2.47

-10.46

-7.99
7 AMDMMMEM

2.36

-10.35

-7.99
8 RMHMLMEM

2.48

-10.24

-7.76
9 AMHMDMEM

2.33

-9.93

-7.6
10 AMHMMMEM

2.33

-9.79

-7.46
11 HMRWMMEM

3.63

-11.07

-7.44
12 AMHWMMEM

3.68

-11.12

-7.44
13 HMRMDMEM

2.28

-9.7

-7.42
14 HMRMLMEM

3.08

-10.4

-7.32
15 RMHMDMEM

2.58

-9.88

-7.3
16 HMHMMMEM

2.7

-9.94

-7.24
17 RMRMDMEM

2.59

-9.82

-7.23
18 AMRMDMEM

3.3

-10.49

-7.19
19 AMRWMMEM

4.3

-11.34

-7.04
20 RMHWMMEM

3.59

-10.59

-7.0
21 RMRWMMEM

3.57

-10.54

-6.97
22 HMHWMMEM

3.74

-10.63

-6.89
23 HMRMMMEM

2.39

-8.79

-6.4
24 RMDWMMEM

3.78

-10.11

-6.33
25 HMDWMMEM

3.16

-8.95

-5.79
26 RMDMMMEM

3.44

-8.51

-5.07
27 AMRMMMEM

3.35

-8.05

-4.7
28 HMHMDMEM

2.49

-6.91

-4.42
29 HMHWDMEM

3.73

-7.36

-3.63
30 RMRMMMEM

4.64

-7.48

-2.84

 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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