Predicted ligand sequences


ADAN-name: 1J4P2.PDB (view again the scoring matrix)

PDB name: [1J4P.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT K K M T F Q p P T D P L E
position 1 2 3 4 5 6 7 8 9 10 11 12 13
poly-Ala
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 10.648 ΔGbinding -1.678
TOTAL
 8.970
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -7.075 Torsional clash 2.956
Van der Waals -5.549 Backbone clash 0.875
Electrostatics -1.865 Helix dipole 0.000
Solvation Polar 11.985 Water bridges -0.381
Solvation Hyd -5.265 Disulfide 0.000
VdW clashes 1.078 Electrost. Kon -1.170
Entropy sc 1.565 Part.cov.bonds 0.000
Entropy mc

3.566

 ΔGstability

173.571
       

Predicted ligand sequences for template [1J4P2.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).
 
  1J4P2.PDB  

(data)
# Predicted Sequences Value Calculate
1 EssyPyWPHFyRC 0.0
2 sssyPyWPHFyRC 0.01
3 EDsyPyWPHFyRC 0.02
4 yssyPyWPHFyRC 0.02
5 EssyPyWPHFyRS 0.03
6 EssyPyWPHFyRM 0.03
7 EGsyPyWPHFyRC 0.04
8 yDsyPyWPHFyRC 0.04
9 sDsyPyWPHFyRC 0.04
10 sssyPyWPHFyRM 0.04
11 sssyPyWPHFyRS 0.04
12 EDsyPyWPHFyRM 0.05
13 EDsyPyWPHFyRS 0.05
14 yssyPyWPHFyRM 0.05
15 yssyPyWPHFyRS 0.05
16 sGsyPyWPHFyRC 0.06
17 EspyPyWPHFyRC 0.06
18 yGsyPyWPHFyRC 0.06
19 EGsyPyWPHFyRS 0.07
20 EGsyPyWPHFyRM 0.07
21 yDsyPyWPHFyRM 0.07
22 yDsyPyWPHFyRS 0.07
23 sspyPyWPHFyRC 0.07
24 sDsyPyWPHFyRS 0.07
25 sDsyPyWPHFyRM 0.07
26 yspyPyWPHFyRC 0.08
27 EDpyPyWPHFyRC 0.08
28 sGsyPyWPHFyRM 0.09
29 sGsyPyWPHFyRS 0.09
30 EspyPyWPHFyRS 0.09
31 EspyPyWPHFyRM 0.09
32 sDpyPyWPHFyRC 0.1
33 EGpyPyWPHFyRC 0.1
34 yDpyPyWPHFyRC 0.1
35 yGsyPyWPHFyRM 0.1
36 yGsyPyWPHFyRS 0.1
37 yspyPyWPHFyRS 0.11
38 yspyPyWPHFyRM 0.11
39 sspyPyWPHFyRS 0.11
40 sspyPyWPHFyRM 0.11
41 EDpyPyWPHFyRS 0.11
42 EDpyPyWPHFyRM 0.11
43 sGpyPyWPHFyRC 0.12
44 yGpyPyWPHFyRC 0.13
45 sDpyPyWPHFyRS 0.13
46 sDpyPyWPHFyRM 0.13
47 yDpyPyWPHFyRM 0.13
48 yDpyPyWPHFyRS 0.13
49 EGpyPyWPHFyRM 0.14
50 EGpyPyWPHFyRS 0.14
51 sGpyPyWPHFyRS 0.15
52 sGpyPyWPHFyRM 0.15
53 yGpyPyWPHFyRM 0.16
54 yGpyPyWPHFyRS 0.16
55 EssyFyWPHFyRC 0.17
56 EDsyFyWPHFyRC 0.19
57 yssyFyWPHFyRC 0.19
58 sssyFyWPHFyRC 0.19
59 EssyFyWPHFyRM 0.2
60 EssyFyWPHFyRS 0.2
61 sDsyFyWPHFyRC 0.21
62 EGsyFyWPHFyRC 0.21
63 yDsyFyWPHFyRC 0.21
64 yssyFyWPHFyRM 0.22
65 yssyFyWPHFyRS 0.22
66 sssyFyWPHFyRS 0.22
67 sssyFyWPHFyRM 0.22
68 EDsyFyWPHFyRM 0.22
69 EDsyFyWPHFyRS 0.22
70 EspyFyWPHFyRC 0.23
71 sGsyFyWPHFyRC 0.23
72 yGsyFyWPHFyRC 0.24
73 sDsyFyWPHFyRM 0.24
74 sDsyFyWPHFyRS 0.24
75 yDsyFyWPHFyRS 0.24
76 yDsyFyWPHFyRM 0.24
77 yspyFyWPHFyRC 0.25
78 sspyFyWPHFyRC 0.25
79 EDpyFyWPHFyRC 0.25
80 EGsyFyWPHFyRS 0.25
81 EGsyFyWPHFyRM 0.25
82 EspyFyWPHFyRM 0.26
83 EspyFyWPHFyRS 0.26
84 sGsyFyWPHFyRS 0.26
85 sGsyFyWPHFyRM 0.26
86 sDpyFyWPHFyRC 0.27
87 yGsyFyWPHFyRS 0.27
88 yGsyFyWPHFyRM 0.27
89 yDpyFyWPHFyRC 0.27
90 EGpyFyWPHFyRC 0.28
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 EGsyPyWPHFyRC

1.51

-2.99

-1.48
2 sssyPyWPHFyRM

1.83

-3.23

-1.4
3 yspyPyWPHFyRC

1.56

-1.91

-0.35
4 sssyPyWPHFyRC

1.77

-1.69

0.08
5 sGsyPyWPHFyRC

1.19

-0.23

0.96
6 EDpyPyWPHFyRC

2.18

-0.87

1.31
7 EssyPyWPHFyRM

1.68

-0.36

1.32
8 EGsyPyWPHFyRS

1.45

0.08

1.53
9 yssyPyWPHFyRS

1.97

-0.07

1.9
10 EssyPyWPHFyRS

1.68

0.74

2.42
11 EssyPyWPHFyRC

2.05

0.42

2.47
12 sssyPyWPHFyRS

2.11

1.27

3.38
13 EDsyPyWPHFyRS

2.08

1.5

3.58
14 sGsyPyWPHFyRS

2.16

2.43

4.59
15 yDsyPyWPHFyRM

2.73

2.46

5.19
16 yssyPyWPHFyRC

2.21

3.75

5.96
17 sDsyPyWPHFyRC

2.77

4.69

7.46
18 yGsyPyWPHFyRC

10.09

0.54

10.63
19 yDsyPyWPHFyRS

9.19

23.48

32.67
20 EspyPyWPHFyRC

18.04

59.87

77.91
21 EspyPyWPHFyRS

17.26

68.68

85.94
22 sspyPyWPHFyRC

16.89

69.55

86.44
23 yDsyPyWPHFyRC

16.69

69.78

86.47
24 yssyPyWPHFyRM

16.72

69.94

86.66
25 sGsyPyWPHFyRM

16.26

70.47

86.73
26 EGsyPyWPHFyRM

16.87

69.95

86.82
27 EDsyPyWPHFyRC

16.13

70.98

87.11
28 EDsyPyWPHFyRM

16.81

70.55

87.36
29 sDsyPyWPHFyRM

17.55

70.61

88.16
30 sDsyPyWPHFyRS

16.31

71.94

88.25

 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