Predicted ligand sequences


ADAN-name: 1EJL2.PDB (view again the scoring matrix)

PDB name: [1EJL.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT P K K K R K V
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 2.933 ΔGbinding -13.961
TOTAL
 -11.028
Backbone Hb -2.125 Cis_bond 0.000
Sidechain Hb -13.562 Torsional clash 1.033
Van der Waals -10.072 Backbone clash 4.218
Electrostatics -9.240 Helix dipole -0.006
Solvation Polar 22.173 Water bridges 0.314
Solvation Hyd -10.650 Disulfide 0.000
VdW clashes 0.017 Electrost. Kon -3.347
Entropy sc 7.530 Part.cov.bonds 0.000
Entropy mc

3.976

 ΔGstability

-16.466
       

Predicted ligand sequences for template [1EJL2.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).
 
  1EJL2.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRKVRFT 0.0
2 RRKMRFT 0.01
3 RRKIRFT 0.26
4 RRKVRFS 0.31
5 RRKMRFS 0.33
6 RRRVRFT 0.37
7 RRRMRFT 0.39
8 RRKVRMT 0.46
9 RRKLRFT 0.47
10 RRKMRMT 0.48
11 RRKVRKT 0.57
12 RRKIRFS 0.57
13 RRKMRKT 0.58
14 RRKKRFT 0.59
15 RRFVRFT 0.6
16 RRFMRFT 0.62
17 RRRIRFT 0.63
18 RRRVRFS 0.68
19 RRRMRFS 0.7
20 RRKIRMT 0.72
21 RRKVRMS 0.77
22 RRKLRFS 0.78
23 RRKMRMS 0.79
24 RRKIRKT 0.83
25 RRRVRMT 0.83
26 RRRLRFT 0.84
27 RRRMRMT 0.85
28 RRFIRFT 0.86
29 RRKVRKS 0.88
30 RRKMRKS 0.89
31 RRKKRFS 0.9
32 RRFVRFS 0.91
33 RRFMRFS 0.93
34 RRKLRMT 0.93
35 RRRIRFS 0.94
36 RRRVRKT 0.94
37 RRRMRKT 0.95
38 RRRKRFT 0.97
39 RRKIRMS 1.03
40 RRKLRKT 1.04
41 RRKKRMT 1.06
42 RRFVRMT 1.07
43 RRFLRFT 1.08
44 RRFMRMT 1.08
45 RRRIRMT 1.1
46 RRKIRKS 1.14
47 RRRVRMS 1.14
48 RRRLRFS 1.15
49 RRRMRMS 1.16
50 RRKKRKT 1.16
51 RRFVRKT 1.17
52 RRFIRFS 1.18
53 RRFMRKT 1.19
54 RRRIRKT 1.2
55 RRFKRFT 1.2
56 RRKLRMS 1.24
57 RRRVRKS 1.25
58 RRRMRKS 1.26
59 RRRKRFS 1.28
60 RRRLRMT 1.3
61 RRFIRMT 1.33
62 RRKLRKS 1.35
63 RRKKRMS 1.37
64 RRFVRMS 1.38
65 RRFLRFS 1.39
66 RRFMRMS 1.39
67 RRRLRKT 1.41
68 RRRIRMS 1.41
69 RRFIRKT 1.43
70 RRRKRMT 1.43
71 RRKKRKS 1.47
72 RRFVRKS 1.48
73 RRFMRKS 1.5
74 RRRIRKS 1.51
75 RRFKRFS 1.51
76 RRRKRKT 1.53
77 RRFLRMT 1.54
78 RRRLRMS 1.62
79 RRFIRMS 1.64
80 RRFLRKT 1.64
81 RRFKRMT 1.66
82 RRRLRKS 1.72
83 RRFIRKS 1.74
84 RRRKRMS 1.74
85 RRFKRKT 1.77
86 RRRKRKS 1.84
87 RRFLRMS 1.85
88 RRFLRKS 1.95
89 RRFKRMS 1.97
90 RRFKRKS 2.08
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRRMRMT

1.78

-15.77

-13.99
2 RRKMRMS

2.92

-16.42

-13.5
3 RRKVRKT

2.7

-15.93

-13.23
4 RRKIRMT

1.5

-14.54

-13.04
5 RRKMRKT

3.32

-16.08

-12.76
6 RRKVRKS

1.37

-14.0

-12.63
7 RRKMRMT

1.31

-13.78

-12.47
8 RRRVRFT

1.33

-13.57

-12.24
9 RRKLRFS

1.37

-13.54

-12.17
10 RRKVRFT

1.42

-13.55

-12.13
11 RRRLRFT

1.41

-13.31

-11.9
12 RRKVRMS

1.25

-13.13

-11.88
13 RRKLRFT

2.87

-14.66

-11.79
14 RRKVRMT

1.5

-13.23

-11.73
15 RRRMRFS

1.49

-13.2

-11.71
16 RRKIRFS

1.32

-12.63

-11.31
17 RRRMRFT

1.75

-13.02

-11.27
18 RRFIRFT

1.4

-12.59

-11.19
19 RRRIRFT

3.22

-14.31

-11.09
20 RRKMRKS

4.11

-15.17

-11.06
21 RRKKRFT

3.06

-13.79

-10.73
22 RRKMRFT

2.1

-12.56

-10.46
23 RRKIRFT

1.7

-11.91

-10.21
24 RRKVRFS

1.42

-11.54

-10.12
25 RRKMRFS

2.75

-12.83

-10.08
26 RRFVRFT

3.16

-12.65

-9.49
27 RRRVRFS

3.01

-12.36

-9.35
28 RRFMRFT

3.53

-12.52

-8.99
29 RRKIRKT

3.19

-11.65

-8.46
30 RRRVRMT

3.01

-11.42

-8.41

 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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