Predicted ligand sequences


ADAN-name: 2OI32.PDB (view again the scoring matrix)

PDB name: [2OI3.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT H S K Y P L P P L P S L
position 1 2 3 4 5 6 7 8 9 10 11 12
poly-Ala A A
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    

(Help)

Intraclash 1.303 ΔGbinding -14.550
TOTAL
 -13.247
Backbone Hb -3.760 Cis_bond 0.000
Sidechain Hb -2.980 Torsional clash 0.050
Van der Waals -12.810 Backbone clash 0.930
Electrostatics -1.720 Helix dipole 0.000
Solvation Polar 13.930 Water bridges -0.470
Solvation Hyd -17.450 Disulfide 0.000
VdW clashes 0.760 Electrost. Kon -1.070
Entropy sc 6.350 Part.cov.bonds 0.000
Entropy mc

4.620

 ΔGstability

9.900
       

Predicted ligand sequences for template [2OI32.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).
 
  2OI32.PDB  

(data)
# Predicted Sequences Value Calculate
1 PFMMRLPWLRKN 0.0
2 PFMMRLPWMRKN 0.02
3 PFMMRLPWLRHN 0.06
4 PFMMRLPPLRKN 0.08
5 PFMMRLPWMRHN 0.08
6 PFMMRLPPMRKN 0.11
7 PFMMRLPWLRVN 0.12
8 PFMMRLPWMRVN 0.14
9 PFMMRLPPLRHN 0.14
10 PFMMRLPPMRHN 0.17
11 PFMMRLPMLRKN 0.17
12 PFMMKLPWLRKN 0.18
13 PFMMPLPWLRKN 0.18
14 PFMMRLPMMRKN 0.2
15 PFMMKLPWMRKN 0.2
16 PFMMRLPPLRVN 0.2
17 PFMMPLPWMRKN 0.2
18 PFMMRLPMLRHN 0.23
19 PFMMRLPPMRVN 0.23
20 PFMMRLPWIRKN 0.23
21 PFMMPLPWLRHN 0.24
22 PFMMKLPWLRHN 0.24
23 PFMMRLPMMRHN 0.25
24 PFMMPLPWMRHN 0.26
25 PFMMKLPPLRKN 0.26
26 PFMMKLPWMRHN 0.26
27 PMMMRLPWLRKN 0.26
28 PFMMPLPPLRKN 0.26
29 PKMMRLPWLRKN 0.28
30 PMMMRLPWMRKN 0.29
31 PFMMRLPMLRVN 0.29
32 PFMMKLPPMRKN 0.29
33 PFMMRLPWIRHN 0.29
34 PFMMPLPPMRKN 0.29
35 WFMMRLPWLRKN 0.29
36 PFMMKLPWLRVN 0.3
37 PKMMRLPWMRKN 0.3
38 PFMMPLPWLRVN 0.3
39 WFMMRLPWMRKN 0.31
40 MFMMRLPWLRKN 0.31
41 PFMMRLPMMRVN 0.31
42 PMMMRLPWLRHN 0.32
43 PFMMKLPWMRVN 0.32
44 PFMMRLPPIRKN 0.32
45 PFMMPLPPLRHN 0.32
46 PFMMKLPPLRHN 0.32
47 PFMMPLPWMRVN 0.32
48 MFMMRLPWMRKN 0.33
49 PFMMPLPPMRHN 0.34
50 PFKMRLPWLRKN 0.34
51 PFMMKLPPMRHN 0.34
52 PKMMRLPWLRHN 0.34
53 PFMMKLPMLRKN 0.35
54 WFMMRLPWLRHN 0.35
55 PMMMRLPWMRHN 0.35
56 PMMMRLPPLRKN 0.35
57 PFMMRLPWIRVN 0.35
58 PFMMPLPMLRKN 0.35
59 PKMMRLPPLRKN 0.36
60 PFKMRLPWMRKN 0.36
61 PKMMRLPWMRHN 0.36
62 WFMMRLPPLRKN 0.37
63 WFMMRLPWMRHN 0.37
64 PMMMRLPPMRKN 0.37
65 MFMMRLPWLRHN 0.37
66 PFMMKLPMMRKN 0.37
67 PFMMPLPMMRKN 0.37
68 PMMMRLPWLRVN 0.38
69 PFMMPLPPLRVN 0.38
70 PFMMRLPPIRHN 0.38
71 PFMMKLPPLRVN 0.38
72 PFMMRLPWLRKE 0.39
73 MFMMRLPWMRHN 0.39
74 MFMMRLPPLRKN 0.39
75 PKMMRLPPMRKN 0.39
76 PFMMKLPPMRVN 0.4
77 PFMMRLPMIRKN 0.4
78 PFMMRLPWLHKN 0.4
79 PFMMPLPPMRVN 0.4
80 PKMMRLPWLRVN 0.4
81 PFKMRLPWLRHN 0.4
82 WFMMRLPPMRKN 0.4
83 PFMMPLPWIRKN 0.41
84 PMMMRLPPLRHN 0.41
85 PFMMKLPWIRKN 0.41
86 PMMMRLPWMRVN 0.41
87 PFMMKLPMLRHN 0.41
88 PFMMRLPWMRKE 0.41
89 WFMMRLPWLRVN 0.41
90 PFMMPLPMLRHN 0.41
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 PFMMRLPPLRVN

1.93

-21.33

-19.4
2 PFMMRLPPMRVN

1.52

-20.8

-19.28
3 PFMMRLPPLRKN

2.05

-21.07

-19.02
4 PMMMRLPWLRKN

1.95

-20.9

-18.95
5 PFMMPLPWMRKN

1.95

-20.89

-18.94
6 PFMMRLPPLRHN

1.9

-20.75

-18.85
7 PFMMKLPWLRHN

1.93

-20.67

-18.74
8 PKMMRLPWLRKN

2.01

-20.69

-18.68
9 PFMMRLPWMRHN

1.82

-20.49

-18.67
10 PFMMRLPWIRKN

2.07

-20.73

-18.66
11 PFMMKLPWMRKN

1.82

-20.46

-18.64
12 PFMMRLPPMRKN

1.99

-20.62

-18.63
13 PFMMKLPWLRKN

1.8

-20.34

-18.54
14 PFMMPLPWLRHN

1.81

-20.3

-18.49
15 PMMMRLPWMRKN

1.82

-20.3

-18.48
16 PFMMRLPPMRHN

1.87

-20.11

-18.24
17 PFMMKLPWMRHN

1.81

-19.97

-18.16
18 PFMMRLPWLRVN

1.91

-20.03

-18.12
19 PFMMRLPWLRKN

1.82

-19.94

-18.12
20 PFMMRLPMLRKN

1.9

-20.01

-18.11
21 PFMMKLPPLRKN

2.15

-20.05

-17.9
22 PFMMRLPMMRKN

1.91

-19.79

-17.88
23 PFMMRLPMLRHN

1.85

-19.68

-17.83
24 PFMMRLPMMRHN

1.93

-19.72

-17.79
25 PFMMPLPWLRKN

2.0

-19.69

-17.69
26 PFMMRLPWMRVN

2.24

-19.79

-17.55
27 PFMMPLPPLRKN

1.91

-19.05

-17.14
28 PFMMPLPWMRHN

1.81

-18.79

-16.98
29 PFMMRLPWLRHN

3.18

-19.33

-16.15
30 PFMMRLPWMRKN

2.36

-18.36

-16.0

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER