Predicted ligand sequences


ADAN-name: 1OTR2.PDB (view again the scoring matrix)

PDB name: [1OTR.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT N D D H E S K L S I L M D M F P A I S K
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
poly-Ala
A
A
 A
A
 A
A
A
A
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 1.833 ΔGbinding -5.901
TOTAL
 -4.068
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.310
Van der Waals -4.501 Backbone clash 0.155
Electrostatics -0.495 Helix dipole -0.018
Solvation Polar 2.925 Water bridges -0.232
Solvation Hyd -7.928 Disulfide 0.000
VdW clashes 0.573 Electrost. Kon -0.611
Entropy sc 1.880 Part.cov.bonds 0.000
Entropy mc

2.195

 ΔGstability

28.334
       

Predicted ligand sequences for template [1OTR2.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).
 
  1OTR2.PDB  

(data)
# Predicted Sequences Value Calculate
1 YCFPYTFEYRDDEMVPFRPP 0.0
2 YCFPYTFDYRDDEMVPFRPP 0.01
3 YFFPYTFDYRDDEMVPFRPP 0.01
4 YFFPYTFEYRDDEMVPFRPP 0.01
5 YYFPYTFEYRDDEMVPFRPP 0.02
6 FCFPYTFEYRDDEMVPFRPP 0.02
7 YYFPYTFDYRDDEMVPFRPP 0.02
8 YCYPYTFEYRDDEMVPFRPP 0.03
9 YFYPYTFEYRDDEMVPFRPP 0.03
10 YFFPYTFRYRDDEMVPFRPP 0.03
11 YCFPYTFEYRDDEMDPFRPP 0.03
12 YCFPYTFRYRDDEMVPFRPP 0.03
13 FCFPYTFDYRDDEMVPFRPP 0.03
14 YCYPYTFDYRDDEMVPFRPP 0.03
15 FFFPYTFEYRDDEMVPFRPP 0.03
16 FFFPYTFDYRDDEMVPFRPP 0.03
17 FYFPYTFEYRDDEMVPFRPP 0.04
18 YFFPYTFDYRDDEMDPFRPP 0.04
19 YCFPYHFEYRDDEMVPFRPP 0.04
20 FYFPYTFDYRDDEMVPFRPP 0.04
21 YCFPYTFDYRDDEMDPFRPP 0.04
22 YFYPYTFDYRDDEMVPFRPP 0.04
23 YYYPYTFEYRDDEMVPFRPP 0.04
24 YFFPYTFEYRDDEMDPFRPP 0.04
25 FCFPYTFEYRDDEMDPFRPP 0.05
26 YYYPYTFDYRDDEMVPFRPP 0.05
27 FCYPYTFEYRDDEMVPFRPP 0.05
28 YFFPYHFDYRDDEMVPFRPP 0.05
29 FCFPYTFRYRDDEMVPFRPP 0.05
30 FCYPYTFDYRDDEMVPFRPP 0.05
31 YYFPYTFEYRDDEMDPFRPP 0.05
32 FFYPYTFEYRDDEMVPFRPP 0.05
33 YYFPYTFRYRDDEMVPFRPP 0.05
34 YFFPYHFEYRDDEMVPFRPP 0.05
35 YCFPYHFDYRDDEMVPFRPP 0.05
36 YCFPYTFEYRDDEMVPFHPP 0.06
37 FFFPYTFDYRDDEMDPFRPP 0.06
38 YYFPYTFDYRDDEMDPFRPP 0.06
39 YFYPYTFEYRDDEMDPFRPP 0.06
40 YFYPYTFRYRDDEMVPFRPP 0.06
41 YCFPYTFRYRDDEMDPFRPP 0.06
42 YCYPYTFRYRDDEMVPFRPP 0.06
43 FCFPYTFDYRDDEMDPFRPP 0.06
44 YCFPYTFDYREDEMVPFRPP 0.06
45 YCYPYTFDYRDDEMDPFRPP 0.06
46 FFFPYTFRYRDDEMVPFRPP 0.06
47 YYFPYHFEYRDDEMVPFRPP 0.06
48 YCFPYTFEYREDEMVPFRPP 0.06
49 YFFPYTFEYREDEMVPFRPP 0.06
50 YCYPYTFEYRDDEMDPFRPP 0.06
51 FFYPYTFDYRDDEMVPFRPP 0.06
52 FFFPYTFEYRDDEMDPFRPP 0.06
53 YYYPYTFRYRDDEMVPFRPP 0.07
54 FYYPYTFEYRDDEMVPFRPP 0.07
55 YFFPYTFDYRDDEMVPFHPP 0.07
56 YCYPYHFEYRDDEMVPFRPP 0.07
57 FCFPYHFEYRDDEMVPFRPP 0.07
58 YFFPYTFRYRDDEMDPFRPP 0.07
59 YYFPYTFEYREDEMVPFRPP 0.07
60 YCFPYTFDYRDDEMVPFHPP 0.07
61 FFFPYHFEYRDDEMVPFRPP 0.07
62 YCFPYTFEYRDDEMVPFRPM 0.07
63 YCFPYTFEYRDDEMVPFRPL 0.07
64 FCFPYHFDYRDDEMVPFRPP 0.07
65 YFYPYTFDYRDDEMDPFRPP 0.07
66 YCFPYTFEYRDDEMLPFRPP 0.07
67 YFFPYTFDYREDEMVPFRPP 0.07
68 YFFPYTFEYRDDEMVPFHPP 0.07
69 YCFPYHFRYRDDEMVPFRPP 0.07
70 FYYPYTFDYRDDEMVPFRPP 0.07
71 FYFPYTFRYRDDEMVPFRPP 0.07
72 FYFPYTFEYRDDEMDPFRPP 0.07
73 YYFPYHFDYRDDEMVPFRPP 0.07
74 YCFPYTFDYRDDEMVPFRPL 0.08
75 YCFPYTFDYRDDEMVPFRPM 0.08
76 YYFPYTFDYREDEMVPFRPP 0.08
77 YFFPYTFDYRDDEMLPFRPP 0.08
78 YCYPYHFDYRDDEMVPFRPP 0.08
79 FCFPYTFRYRDDEMDPFRPP 0.08
80 FCYPYTFEYRDDEMDPFRPP 0.08
81 YFFPYTFDYRDDEMVPFRPM 0.08
82 YFFPYTFDYRDDEMVPFRPL 0.08
83 FYFPYHFEYRDDEMVPFRPP 0.08
84 FCFPYTFEYRDDEMVPFHPP 0.08
85 FCYPYTFDYRDDEMDPFRPP 0.08
86 YYFPYTFEYRDDEMVPFHPP 0.08
87 YYYPYTFDYRDDEMDPFRPP 0.08
88 YYFPYTFRYRDDEMDPFRPP 0.08
89 YFFPYTFEYRDDEMVPFRPL 0.08
90 YFFPYTFEYRDDEMVPFRPM 0.08
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 YFFPYTFRYRDDEMVPFRPP

1.44

-4.73

-3.29
2 YFFPYTFEYRDDEMVPFRPP

1.95

-5.09

-3.14
3 FCFPYTFEYRDDEMVPFRPP

1.66

-4.59

-2.93
4 YCFPYTFDYRDDEMDPFRPP

1.37

-4.27

-2.9
5 FCFPYTFEYRDDEMDPFRPP

2.15

-4.86

-2.71
6 YCFPYTFRYRDDEMVPFRPP

1.82

-4.49

-2.67
7 FCYPYTFEYRDDEMVPFRPP

2.15

-4.6

-2.45
8 YCFPYHFEYRDDEMVPFRPP

2.63

-5.06

-2.43
9 YYFPYTFEYRDDEMVPFRPP

2.59

-4.92

-2.33
10 YYYPYTFEYRDDEMVPFRPP

2.6

-4.77

-2.17
11 FCYPYTFDYRDDEMVPFRPP

1.48

-3.18

-1.7
12 YCYPYTFDYRDDEMVPFRPP

1.46

-3.14

-1.68
13 YFYPYTFEYRDDEMVPFRPP

2.52

-3.99

-1.47
14 YCYPYTFEYRDDEMVPFRPP

2.52

-3.51

-0.99
15 FCFPYTFRYRDDEMVPFRPP

2.78

-3.63

-0.85
16 YFFPYTFDYRDDEMDPFRPP

2.94

-3.68

-0.74
17 FFFPYTFEYRDDEMVPFRPP

5.04

-5.54

-0.5
18 FYFPYTFEYRDDEMVPFRPP

3.75

-4.19

-0.44
19 FCFPYTFDYRDDEMVPFRPP

2.73

-3.02

-0.29
20 YFFPYTFDYRDDEMVPFRPP

2.58

-2.8

-0.22
21 YCFPYTFEYRDDEMVPFRPP

3.58

-3.63

-0.05
22 FYFPYTFDYRDDEMVPFRPP

5.1

-5.13

-0.03
23 YFFPYHFDYRDDEMVPFRPP

2.59

-2.44

0.15
24 YYYPYTFDYRDDEMVPFRPP

3.14

-2.96

0.18
25 YCFPYTFEYRDDEMDPFRPP

4.72

-4.5

0.22
26 YFFPYTFEYRDDEMDPFRPP

4.36

-4.09

0.27
27 FFFPYTFDYRDDEMVPFRPP

5.75

-5.47

0.28
28 YYFPYTFDYRDDEMVPFRPP

4.62

-4.32

0.3
29 YFYPYTFDYRDDEMVPFRPP

5.89

-4.16

1.73
30 YCFPYTFDYRDDEMVPFRPP

5.61

-3.24

2.37

 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