Predicted ligand sequences


ADAN-name: 1UJJ2.PDB (view again the scoring matrix)

PDB name: [1UJJ.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT D D I S L L K
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 3.604 ΔGbinding -14.948
TOTAL
 -11.344
Backbone Hb -4.825 Cis_bond 0.000
Sidechain Hb -5.163 Torsional clash 0.637
Van der Waals -9.093 Backbone clash 0.682
Electrostatics -3.922 Helix dipole 0.038
Solvation Polar 13.066 Water bridges 0.040
Solvation Hyd -13.353 Disulfide 0.000
VdW clashes 0.438 Electrost. Kon -1.903
Entropy sc 5.573 Part.cov.bonds 0.000
Entropy mc

3.518

 ΔGstability

1.629
       

Predicted ligand sequences for template [1UJJ2.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).
 
  1UJJ2.PDB  

(data)
# Predicted Sequences Value Calculate
1 DDsDLEE 0.0
2 yDsDLEE 0.01
3 EDsDLEE 0.13
4 DDsDMEE 0.2
5 yDsDMEE 0.21
6 sDsDLEE 0.21
7 DDsDLFE 0.24
8 yDsDLFE 0.25
9 DDsDIEE 0.3
10 DDsWLEE 0.3
11 yDsWLEE 0.31
12 yDsDIEE 0.31
13 DDssLEE 0.32
14 DDsPLEE 0.32
15 EDsDMEE 0.33
16 yDssLEE 0.33
17 yDsPLEE 0.33
18 EDsDLFE 0.37
19 sDsDMEE 0.41
20 EDsDIEE 0.43
21 EDsWLEE 0.43
22 DDsDMFE 0.44
23 EDsPLEE 0.45
24 yDsDMFE 0.45
25 sDsDLFE 0.45
26 EDssLEE 0.45
27 DDsWMEE 0.5
28 sDsWLEE 0.51
29 sDsDIEE 0.51
30 yDsWMEE 0.51
31 DDsPMEE 0.51
32 DDssMEE 0.52
33 yDssMEE 0.53
34 yDsPMEE 0.53
35 sDssLEE 0.53
36 sDsPLEE 0.53
37 DDsWLFE 0.54
38 DDsDIFE 0.54
39 yDsDIFE 0.55
40 yDsWLFE 0.55
41 DDsPLFE 0.56
42 DDssLFE 0.56
43 yDsPLFE 0.57
44 yDssLFE 0.57
45 EDsDMFE 0.57
46 DDsWIEE 0.6
47 yDsWIEE 0.61
48 DDsPIEE 0.62
49 DDssIEE 0.62
50 yDssIEE 0.63
51 yDsPIEE 0.63
52 EDsWMEE 0.63
53 EDsPMEE 0.64
54 EDssMEE 0.65
55 sDsDMFE 0.65
56 EDsWLFE 0.67
57 EDsDIFE 0.67
58 EDssLFE 0.69
59 EDsPLFE 0.69
60 sDsWMEE 0.71
61 sDsPMEE 0.73
62 sDssMEE 0.73
63 EDsWIEE 0.73
64 DDsWMFE 0.74
65 EDssIEE 0.75
66 sDsDIFE 0.75
67 EDsPIEE 0.75
68 yDsWMFE 0.75
69 DDsPMFE 0.75
70 sDsWLFE 0.75
71 DDssMFE 0.76
72 sDsPLFE 0.77
73 yDssMFE 0.77
74 yDsPMFE 0.77
75 sDssLFE 0.77
76 sDsWIEE 0.81
77 sDsPIEE 0.83
78 sDssIEE 0.83
79 DDsWIFE 0.84
80 yDsWIFE 0.85
81 DDsPIFE 0.86
82 DDssIFE 0.86
83 yDsPIFE 0.87
84 yDssIFE 0.87
85 EDsWMFE 0.87
86 EDssMFE 0.89
87 EDsPMFE 0.89
88 sDsWMFE 0.95
89 EDsWIFE 0.97
90 sDsPMFE 0.97
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DDsDLFE

2.8

-16.25

-13.45
2 sDsDLFE

2.87

-16.24

-13.37
3 yDsDLFE

2.89

-16.04

-13.15
4 EDsDLFE

2.9

-15.91

-13.01
5 DDsDMFE

2.67

-15.18

-12.51
6 yDsDMFE

2.68

-15.09

-12.41
7 EDsDLEE

2.41

-14.36

-11.95
8 EDssLEE

2.43

-14.25

-11.82
9 yDssLEE

2.57

-14.38

-11.81
10 sDsDLEE

2.47

-14.14

-11.67
11 yDsDLEE

2.54

-14.02

-11.48
12 EDsWLEE

2.45

-13.88

-11.43
13 DDsDMEE

2.23

-13.62

-11.39
14 DDsDLEE

2.44

-13.81

-11.37
15 DDsWMEE

2.43

-13.79

-11.36
16 DDsWLEE

2.84

-14.16

-11.32
17 yDsPLEE

2.62

-13.92

-11.3
18 EDsDIEE

2.26

-13.56

-11.3
19 EDsDMEE

2.3

-13.57

-11.27
20 sDsWLEE

3.1

-14.36

-11.26
21 sDsDMEE

2.23

-13.36

-11.13
22 yDsWLEE

2.68

-13.77

-11.09
23 yDsDMEE

2.29

-13.31

-11.02
24 DDsDIEE

2.29

-13.22

-10.93
25 yDsWMEE

2.42

-13.27

-10.85
26 DDsPLEE

2.4

-13.15

-10.75
27 EDsPLEE

2.36

-13.06

-10.7
28 DDssLEE

2.39

-13.09

-10.7
29 sDsDIEE

2.26

-12.25

-9.99
30 yDsDIEE

2.26

-11.85

-9.59

 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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