Predicted ligand sequences


ADAN-name: 1JUQ2.PDB (view again the scoring matrix)

PDB name: [1JUQ.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT D D H L L P M
position 1 2 3 4 5 6 7
poly-Ala
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 2.502 ΔGbinding -14.662
TOTAL
 -12.160
Backbone Hb -3.050 Cis_bond 0.000
Sidechain Hb -3.387 Torsional clash 0.997
Van der Waals -8.579 Backbone clash 0.254
Electrostatics -3.034 Helix dipole 0.064
Solvation Polar 10.000 Water bridges -0.195
Solvation Hyd -13.497 Disulfide 0.000
VdW clashes 0.428 Electrost. Kon -1.500
Entropy sc 3.893 Part.cov.bonds 0.000
Entropy mc

3.200

 ΔGstability

-21.444
       

Predicted ligand sequences for template [1JUQ2.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).
 
  1JUQ2.PDB  

(data)
# Predicted Sequences Value Calculate
1 DRWMLPY 0.0
2 DyWMLPY 0.14
3 DRFMLPY 0.19
4 DRWMMPY 0.2
5 DRYMLPY 0.22
6 DRWMLPy 0.23
7 DRWMLRY 0.24
8 DyFMLPY 0.33
9 DyWMMPY 0.34
10 DyYMLPY 0.36
11 DyWMLPy 0.37
12 DRFMMPY 0.38
13 DRWMLPW 0.38
14 DRWMLsY 0.38
15 DyWMLRY 0.38
16 DRFMLPy 0.41
17 DRWMMPy 0.42
18 DRYMMPY 0.42
19 DRWILPY 0.42
20 DRFMLRY 0.43
21 DRWMMRY 0.44
22 DRYMLPy 0.45
23 DRYMLRY 0.46
24 DRWMLRy 0.47
25 DyWMLPW 0.52
26 DyWMLsY 0.52
27 DyFMMPY 0.52
28 DyFMLPy 0.55
29 DyWMMPy 0.56
30 DyYMMPY 0.56
31 DyWILPY 0.56
32 DRFMLPW 0.56
33 DRFMLsY 0.56
34 DyFMLRY 0.57
35 DRWMMPW 0.57
36 DRWMMsY 0.57
37 DyWMMRY 0.58
38 DyYMLPy 0.59
39 DRYMLPW 0.6
40 DRWMLsy 0.6
41 DRYMLsY 0.6
42 DyYMLRY 0.6
43 DRFMMPy 0.61
44 DRFILPY 0.61
45 DyWMLRy 0.61
46 DRWMLRW 0.62
47 DRWIMPY 0.62
48 DRFMMRY 0.62
49 DRYMMPy 0.64
50 DRYILPY 0.64
51 DRFMLRy 0.65
52 DRWILPy 0.65
53 DRYMMRY 0.66
54 DRWMMRy 0.66
55 DRWILRY 0.66
56 DRYMLRy 0.69
57 DyFMLPW 0.7
58 DyWMMPW 0.71
59 DyWMMsY 0.71
60 DyFMLsY 0.71
61 DyYMLsY 0.74
62 DyYMLPW 0.74
63 DyFILPY 0.75
64 DyWMLsy 0.75
65 DyFMMPy 0.75
66 DRFMMPW 0.76
67 DRFMMsY 0.76
68 DyFMMRY 0.76
69 DRWMLsW 0.76
70 DyWIMPY 0.76
71 DyWMLRW 0.76
72 DyYMMPy 0.78
73 DyYILPY 0.78
74 DyFMLRy 0.79
75 DRYMMsY 0.79
76 DyWILPy 0.79
77 DRYMMPW 0.79
78 DRFMLsy 0.79
79 DyYMMRY 0.8
80 DRWMMsy 0.8
81 DyWILRY 0.8
82 DRFIMPY 0.8
83 DRFMLRW 0.8
84 DRWILPW 0.8
85 DyWMMRy 0.8
86 DRWILsY 0.8
87 DRWMMRW 0.81
88 DRYMLsy 0.82
89 DyYMLRy 0.83
90 DRFILPy 0.83
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DRYMLPY

2.4

-17.15

-14.75
2 DRWMLPY

2.61

-17.27

-14.66
3 DyWMLPW

2.46

-16.47

-14.01
4 DRYMMPY

2.33

-16.25

-13.92
5 DRWMLsY

2.63

-16.52

-13.89
6 DyWMLPY

2.35

-16.22

-13.87
7 DRWMMPy

2.24

-16.09

-13.85
8 DyYMLPY

2.5

-16.13

-13.63
9 DRWMLPW

2.63

-16.24

-13.61
10 DRFMLRY

2.75

-16.33

-13.58
11 DRFMLPY

3.07

-16.45

-13.38
12 DRWMMRY

2.4

-15.76

-13.36
13 DRWMMPY

2.3

-15.5

-13.2
14 DRWMLRY

3.14

-16.19

-13.05
15 DyYMMPY

2.24

-15.22

-12.98
16 DRYMLPy

3.07

-16.02

-12.95
17 DRWILPY

2.97

-15.71

-12.74
18 DyFMLPy

2.76

-15.5

-12.74
19 DRYMLRY

2.73

-15.43

-12.7
20 DyFMLPY

2.79

-15.43

-12.64
21 DRFMLPy

4.51

-16.77

-12.26
22 DyWMMPy

2.55

-14.65

-12.1
23 DRWMLRy

3.35

-15.3

-11.95
24 DRFMMPY

2.27

-14.18

-11.91
25 DyWMLPy

2.92

-14.67

-11.75
26 DRWMLPy

2.24

-13.94

-11.7
27 DyWMLsY

3.26

-14.85

-11.59
28 DyWMMPY

2.04

-12.86

-10.82
29 DyWMLRY

2.65

-13.02

-10.37
30 DyFMMPY

4.21

-14.48

-10.27

 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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