Predicted ligand sequences


ADAN-name: 1OPL3.PDB (view again the scoring matrix)

PDB name: [1OPL.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT N K P T V Y G V S P N
position 1 2 3 4 5 6 7 8 9 10 11
poly-Ala
A
A
A
A
A
A
G
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 1.190 ΔGbinding -10.540
TOTAL
 -9.350
Backbone Hb -0.950 Cis_bond 0.000
Sidechain Hb -0.910 Torsional clash 0.000
Van der Waals -6.520 Backbone clash 0.480
Electrostatics -0.170 Helix dipole 0.000
Solvation Polar 4.030 Water bridges -0.140
Solvation Hyd -9.630 Disulfide 0.000
VdW clashes 0.170 Electrost. Kon -0.200
Entropy sc 1.930 Part.cov.bonds 0.000
Entropy mc

1.860

 ΔGstability

-0.240
       

Predicted ligand sequences for template [1OPL3.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).
 
  1OPL3.PDB  

(data)
# Predicted Sequences Value Calculate
1 GRPRMPGKWPM 0.0
2 ARPRMPGKWPM 0.01
3 GRPRMPGPWPM 0.01
4 GRPRMKGKWPM 0.01
5 SRPRMPGKWPM 0.01
6 SRPRMPGPWPM 0.02
7 GRPRMKGPWPM 0.02
8 SRPRMKGKWPM 0.02
9 ARPRMKGKWPM 0.02
10 ARPRMPGPWPM 0.02
11 GRPRMPGWWPM 0.03
12 ARPRMKGPWPM 0.03
13 SRPRMKGPWPM 0.03
14 ARPRMPGWWPM 0.04
15 SRPRMPGWWPM 0.04
16 GRPRMKGWWPM 0.05
17 GRPRMPGKMPM 0.05
18 GRPRMHGKWPM 0.06
19 GRPRMKGKMPM 0.06
20 ARPRMKGWWPM 0.06
21 ARPRMPGKMPM 0.06
22 SRPRMPGKMPM 0.06
23 GRPRMPGPMPM 0.06
24 SRPRMKGWWPM 0.06
25 SRPRMKGKMPM 0.07
26 GRPRMHGPWPM 0.07
27 SRPRMHGKWPM 0.07
28 ARPRMHGKWPM 0.07
29 ARPRMKGKMPM 0.07
30 SRPRMPGPMPM 0.07
31 ARPRMPGPMPM 0.07
32 GRPHMPGKWPM 0.07
33 GRPRMKGPMPM 0.07
34 GRPHMKGKWPM 0.08
35 GRPHMPGPWPM 0.08
36 ARPHMPGKWPM 0.08
37 GRPRMPGWMPM 0.08
38 SRPRMHGPWPM 0.08
39 ARPRMKGPMPM 0.08
40 ARPRMHGPWPM 0.08
41 SRPHMPGKWPM 0.08
42 SRPRMKGPMPM 0.08
43 GRPRMHGWWPM 0.09
44 ARPHMKGKWPM 0.09
45 ARPRMPGWMPM 0.09
46 SRPRMPGWMPM 0.09
47 SRPHMPGPWPM 0.09
48 SRPHMKGKWPM 0.09
49 ARPHMPGPWPM 0.09
50 GRPHMKGPWPM 0.09
51 ARPRMHGWWPM 0.1
52 GRPRMPGKWPW 0.1
53 ARPHMKGPWPM 0.1
54 SRPRMHGWWPM 0.1
55 GRPRMKGWMPM 0.1
56 GRPRMHGKMPM 0.1
57 GRPWMPGKWPM 0.1
58 SRPHMKGPWPM 0.1
59 GRPHMPGWWPM 0.1
60 ARPRMKGWMPM 0.11
61 SRPRMHGKMPM 0.11
62 SRPRMKGWMPM 0.11
63 ARPRMPGKWPW 0.11
64 ARPWMPGKWPM 0.11
65 GRPWMPGPWPM 0.11
66 ARPRMHGKMPM 0.11
67 GRPRMPGPWPW 0.11
68 SRPWMPGKWPM 0.11
69 GRPRMKGKWPW 0.11
70 SRPHMPGWWPM 0.11
71 GRPWMKGKWPM 0.11
72 ARPHMPGWWPM 0.11
73 SRPRMPGKWPW 0.11
74 GRPRMHGPMPM 0.11
75 SRPRMPGPWPW 0.12
76 GRPRMKGPWPW 0.12
77 ARPWMPGPWPM 0.12
78 ARPWMKGKWPM 0.12
79 GRPWMKGPWPM 0.12
80 SRPRMKGKWPW 0.12
81 SRPWMPGPWPM 0.12
82 ARPRMKGKWPW 0.12
83 GRPHMPGKMPM 0.12
84 SRPRMHGPMPM 0.12
85 GRPHMKGWWPM 0.12
86 ARPRMPGPWPW 0.12
87 SRPWMKGKWPM 0.12
88 ARPRMHGPMPM 0.12
89 GRPRMPGWWPW 0.13
90 ARPRMKGPWPW 0.13
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 ARPRMKGWWPM

1.34

-14.14

-12.8
2 ARPRMKGPWPM

1.3

-13.97

-12.67
3 SRPRMKGKMPM

1.19

-13.82

-12.63
4 ARPRMPGKWPM

1.36

-13.58

-12.22
5 SRPRMPGKMPM

1.2

-13.31

-12.11
6 GRPRMPGWWPM

1.54

-13.54

-12.0
7 GRPRMKGKMPM

1.25

-13.23

-11.98
8 GRPRMPGKWPM

1.55

-13.49

-11.94
9 GRPRMPGPWPM

1.71

-13.62

-11.91
10 SRPRMPGKWPM

1.72

-13.57

-11.85
11 GRPRMHGPWPM

1.84

-13.61

-11.77
12 GRPRMHGKWPM

1.85

-13.62

-11.77
13 ARPRMKGKWPM

1.83

-13.59

-11.76
14 SRPRMKGWWPM

1.88

-13.6

-11.72
15 ARPRMHGKWPM

1.83

-13.52

-11.69
16 SRPRMPGPMPM

1.32

-12.98

-11.66
17 SRPRMPGPWPM

1.87

-13.48

-11.61
18 SRPRMHGKWPM

1.84

-13.31

-11.47
19 SRPRMPGWWPM

1.87

-13.32

-11.45
20 GRPRMKGKWPM

2.32

-13.7

-11.38
21 SRPRMKGKWPM

1.82

-13.18

-11.36
22 GRPRMKGPWPM

1.88

-13.23

-11.35
23 GRPRMPGPMPM

1.78

-12.81

-11.03
24 SRPRMKGPWPM

2.28

-13.28

-11.0
25 ARPRMKGKMPM

1.8

-12.76

-10.96
26 GRPRMPGKMPM

2.24

-12.66

-10.42
27 ARPRMPGKMPM

2.35

-12.7

-10.35
28 ARPRMPGPWPM

2.05

-12.3

-10.25
29 GRPRMKGWWPM

2.35

-12.54

-10.19
30 ARPRMPGWWPM

2.34

-12.14

-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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