Predicted ligand sequences (modelled structure)


ADAN-name: HSE1_1OEB-15.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8 9
poly-Ala 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    

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Intraclash 5.349 ΔGbinding -1.394
TOTAL
 3.955
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.672
Van der Waals -3.278 Backbone clash 0.157
Electrostatics 0.387 Helix dipole 0.000
Solvation Polar 3.474 Water bridges 0.028
Solvation Hyd -4.726 Disulfide 0.000
VdW clashes 0.031 Electrost. Kon 0.427
Entropy sc 0.633 Part.cov.bonds 0.000
Entropy mc

3.507

 ΔGstability

45.014
       

Predicted ligand sequences for model [HSE1_1OEB-15.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).
 
  HSE1_1OEB-15.PDB  

(data)
# Predicted Sequences Value Calculate
1 YWRRRRKNR 0.0
2 YWRRRRKRR 0.01
3 YWRRRRKKR 0.08
4 YWRRRRRNR 0.1
5 YWRRRRKNK 0.1
6 YWRRRRRRR 0.11
7 YWRRRRKRK 0.12
8 YWWRRRKNR 0.14
9 YWFRRRKNR 0.14
10 YWFRRRKRR 0.15
11 YWWRRRKRR 0.15
12 YWRRRRRKR 0.18
13 YWRRRRKKK 0.18
14 YWRRRRRNK 0.2
15 YWRRRRRRK 0.21
16 YWFRRRKKR 0.22
17 YWWRRRKKR 0.22
18 YWRRRRLNR 0.23
19 YWFRRRRNR 0.23
20 YWWRRRKNK 0.24
21 YWFRRRKNK 0.24
22 YWRRRRLRR 0.24
23 YWWRRRRNR 0.24
24 YWWRRRRRR 0.25
25 YWFRRRRRR 0.25
26 YWFRRRKRK 0.26
27 YWWRRRKRK 0.26
28 YWRRRRRKK 0.28
29 YWRRRRLKR 0.31
30 YWFRRRKKK 0.32
31 YWFRRRRKR 0.32
32 YWWRRRRKR 0.32
33 YWWRRRKKK 0.32
34 YWRRRRLNK 0.33
35 YWFRRRRNK 0.34
36 YWWRRRRNK 0.34
37 YWFRRRRRK 0.35
38 YWRRRRLRK 0.35
39 YWWRRRRRK 0.35
40 YWRRRRKNM 0.36
41 YWFRRRLNR 0.37
42 YWWRRRLNR 0.37
43 YWRRRRKRM 0.37
44 YWWRRRLRR 0.38
45 YWFRRRLRR 0.38
46 YWRRRRLKK 0.41
47 YWFRRRRKK 0.42
48 YWWRRRRKK 0.42
49 YWRRRRKKM 0.44
50 YWWRRRLKR 0.45
51 YWRRRRRNM 0.45
52 YWFRRRLKR 0.45
53 FWRRRRKNR 0.45
54 YFRRRRKNR 0.46
55 HWRRRRKNR 0.46
56 FWRRRRKRR 0.46
57 YWFRRRLNK 0.47
58 YWWRRRLNK 0.47
59 YFRRRRKRR 0.47
60 YWRRRRRRM 0.47
61 HWRRRRKRR 0.47
62 YWFRRRLRK 0.48
63 YWWRRRLRK 0.49
64 YWFRRRKNM 0.5
65 YWWRRRKNM 0.5
66 YWFRRRKRM 0.51
67 YWWRRRKRM 0.51
68 FWRRRRKKR 0.53
69 YWRRRRRKM 0.53
70 FWRRRRRNR 0.54
71 YFRRRRKKR 0.54
72 HWRRRRKKR 0.54
73 YWWRRRLKK 0.55
74 HWRRRRRNR 0.55
75 YWFRRRLKK 0.55
76 YFRRRRRNR 0.55
77 FWRRRRKNK 0.55
78 FWRRRRRRR 0.56
79 YFRRRRKNK 0.56
80 YFRRRRRRR 0.56
81 HWRRRRKNK 0.56
82 HWRRRRRRR 0.57
83 YFRRRRKRK 0.57
84 FWRRRRKRK 0.57
85 YWFRRRKKM 0.58
86 HWRRRRKRK 0.58
87 YWWRRRKKM 0.58
88 YWRRRRLNM 0.59
89 FWFRRRKNR 0.59
90 YFWRRRKNR 0.59
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 YWFRRRKRK

2.82

-14.9

-12.08
2 YWFRRRRNR

4.83

-15.93

-11.1
3 YWFRRRKNR

3.31

-13.7

-10.39
4 YWRRRRRKK

2.91

-12.96

-10.05
5 YWRRRRRKR

4.78

-14.81

-10.03
6 YWFRRRKRR

3.75

-13.69

-9.94
7 YWRRRRLNR

5.09

-14.92

-9.83
8 YWRRRRRNK

4.72

-14.42

-9.7
9 YWFRRRRRR

5.11

-14.65

-9.54
10 YWFRRRKKK

2.82

-12.3

-9.48
11 YWWRRRKNR

2.84

-12.24

-9.4
12 YWWRRRRNR

4.76

-14.16

-9.4
13 YWRRRRLRR

5.47

-14.87

-9.4
14 YWRRRRRRR

5.18

-14.08

-8.9
15 YWFRRRKNK

4.27

-13.08

-8.81
16 YWRRRRKRR

5.27

-13.89

-8.62
17 YWFRRRKKR

4.68

-13.25

-8.57
18 YWRRRRKNK

5.24

-13.56

-8.32
19 YWWRRRRRR

5.0

-13.32

-8.32
20 YWRRRRRNR

4.91

-12.86

-7.95
21 YWWRRRKRR

4.82

-12.51

-7.69
22 YWRRRRKNR

6.46

-13.99

-7.53
23 YWWRRRKKR

5.03

-12.43

-7.4
24 YWWRRRKRK

5.03

-12.37

-7.34
25 YWRRRRKKR

4.98

-11.91

-6.93
26 YWRRRRKKK

7.03

-13.72

-6.69
27 YWRRRRRRK

6.51

-13.02

-6.51
28 YWRRRRKRK

6.63

-13.05

-6.42
29 YWWRRRKNK

6.41

-12.5

-6.09
30 YWRRRRLKR

6.77

-12.59

-5.82

 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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