Predicted ligand sequences


ADAN-name: 2O882.PDB (view again the scoring matrix)

PDB name: [2O88.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT A P S Y S P P P P P
position 1 2 3 4 5 6 7 8 9 10
poly-Ala
A
A
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 1.309 ΔGbinding -13.230
TOTAL
 -11.921
Backbone Hb -0.720 Cis_bond 0.000
Sidechain Hb -2.410 Torsional clash 0.030
Van der Waals -8.040 Backbone clash 0.280
Electrostatics -0.310 Helix dipole 0.000
Solvation Polar 5.570 Water bridges -0.080
Solvation Hyd -11.810 Disulfide 0.000
VdW clashes 0.090 Electrost. Kon -0.130
Entropy sc 2.590 Part.cov.bonds 0.000
Entropy mc

2.000

 ΔGstability

-3.910
       

Predicted ligand sequences for template [2O882.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).
 
  2O882.PDB  

(data)
# Predicted Sequences Value Calculate
1 APRYHVMGMM 0.0
2 APRYHVMGMP 0.01
3 AMRYHVMGMM 0.01
4 APRYHVMPMM 0.01
5 APRYHVMTMM 0.02
6 AMRYHVMGMP 0.02
7 AMRYHVMPMM 0.02
8 APRYHVMPMP 0.02
9 APRYHVMGEM 0.03
10 APRYHVMTMP 0.03
11 AMRYHVMPMP 0.03
12 AMRYHVMTMM 0.03
13 AMRYHVMGEM 0.04
14 APRYHVMGEP 0.04
15 APRYHVMPEM 0.04
16 AMRYLVMGMM 0.04
17 APHYHVMGMM 0.04
18 APRYLVMGMM 0.04
19 AMRYHVMTMP 0.04
20 AMRYHVMGEP 0.05
21 APRYHVMTEM 0.05
22 AMRYHVMPEM 0.05
23 APRYGVMGMM 0.05
24 APRYHVMPEP 0.05
25 APRYLVMPMM 0.05
26 AMRYLVMPMM 0.05
27 APHYHVMPMM 0.05
28 AMHYHVMGMM 0.05
29 APHYHVMGMP 0.05
30 APRYLVMGMP 0.05
31 APRYLVMTMM 0.06
32 APRYHVMTEP 0.06
33 AMRYHVMPEP 0.06
34 APRYGVMGMP 0.06
35 AMRYHVMTEM 0.06
36 AMRYLVMGMP 0.06
37 APRYLVMPMP 0.06
38 AMRYGVMGMM 0.06
39 APHYHVMPMP 0.06
40 AMHYHVMPMM 0.06
41 AMHYHVMGMP 0.06
42 APHYHVMTMM 0.06
43 APRYGVMPMM 0.06
44 APRYHVMGQM 0.07
45 APRYLVMTMP 0.07
46 AMRYHVMTEP 0.07
47 APHYHVMGEM 0.07
48 APRYLVMGEM 0.07
49 AMRYGVMGMP 0.07
50 AMRYLVMPMP 0.07
51 AMRYLVMTMM 0.07
52 AMHYHVMTMM 0.07
53 APHYHVMTMP 0.07
54 AMRYGVMPMM 0.07
55 AMRYLVMGEM 0.07
56 APRYGVMTMM 0.07
57 AMHYHVMPMP 0.07
58 APRYGVMPMP 0.07
59 APRYHVMGQP 0.08
60 APHYHVMPEM 0.08
61 AMRYLVMPEM 0.08
62 AMRYGVMTMM 0.08
63 AMHYLVMGMM 0.08
64 APHYHVMGEP 0.08
65 APRYHVMPQM 0.08
66 APRYLVMPEM 0.08
67 APRYLVMGEP 0.08
68 AMRYHVMGQM 0.08
69 AMRYLVMTMP 0.08
70 AMHYHVMTMP 0.08
71 APRYGVMGEM 0.08
72 AMHYHVMGEM 0.08
73 APHYLVMGMM 0.08
74 AMRYGVMPMP 0.08
75 APRYGVMTMP 0.08
76 APRYHVMTQM 0.09
77 AMHYHVMPEM 0.09
78 AMRYHVMPQM 0.09
79 AMRYGVMGEM 0.09
80 APHYHVMPEP 0.09
81 AMRYGVMTMP 0.09
82 APHYHVMTEM 0.09
83 AMHYLVMPMM 0.09
84 APHYLVMPMM 0.09
85 APRYHVMPQP 0.09
86 APRYLVMPEP 0.09
87 APHYGVMGMM 0.09
88 APRYGVMPEM 0.09
89 APRYLVMTEM 0.09
90 AMRYHVMGQP 0.09
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 APRYHVMPMP

1.93

-14.68

-12.75
2 APRYHVMPEP

1.91

-14.09

-12.18
3 APRYHVMGMP

2.2

-14.24

-12.04
4 APHYHVMGMM

2.21

-13.78

-11.57
5 APRYHVMTMP

1.77

-13.11

-11.34
6 APHYHVMGMP

1.59

-12.5

-10.91
7 APRYHVMGMM

2.06

-12.68

-10.62
8 APRYHVMGEP

1.73

-12.26

-10.53
9 APRYLVMGMM

2.51

-12.73

-10.22
10 APRYHVMPMM

1.88

-11.71

-9.83
11 APRYGVMGMM

2.15

-11.96

-9.81
12 APRYLVMGMP

2.59

-12.29

-9.7
13 APRYHVMTMM

2.1

-11.48

-9.38
14 APRYHVMPEM

1.87

-11.11

-9.24
15 APRYLVMPMM

2.0

-11.18

-9.18
16 APRYHVMGEM

1.81

-10.81

-9.0
17 APHYHVMPMM

2.5

-11.09

-8.59
18 AMRYHVMGMP

2.0

-10.3

-8.3
19 APRYHVMTEM

2.54

-10.8

-8.26
20 AMRYHVMPMP

1.95

-9.35

-7.4
21 AMRYHVMTMP

1.93

-9.24

-7.31
22 AMRYHVMGEP

1.91

-8.32

-6.41
23 AMRYLVMPMM

1.75

-8.07

-6.32
24 AMRYHVMGMM

3.06

-9.38

-6.32
25 AMRYHVMPMM

2.35

-8.55

-6.2
26 AMRYLVMGMM

3.22

-8.87

-5.65
27 AMRYHVMPEM

2.36

-7.89

-5.53
28 AMRYHVMTMM

2.98

-8.24

-5.26
29 AMRYHVMGEM

2.54

-7.52

-4.98
30 AMHYHVMGMM

2.82

-7.67

-4.85

 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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