Predicted ligand sequences (modelled structure)


ADAN-name: HSE1_1OEB-13.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8
poly-Ala
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 3.434 ΔGbinding -1.114
TOTAL
 2.320
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.727
Van der Waals -3.077 Backbone clash 0.022
Electrostatics 0.319 Helix dipole 0.000
Solvation Polar 3.112 Water bridges 0.013
Solvation Hyd -4.292 Disulfide 0.000
VdW clashes 0.190 Electrost. Kon 0.388
Entropy sc 0.439 Part.cov.bonds 0.000
Entropy mc

2.342

 ΔGstability

46.404
       

Predicted ligand sequences for model [HSE1_1OEB-13.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-13.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPRRRPRR 0.0
2 RPPRRPRR 0.02
3 RPKRRPRR 0.07
4 RPERRPRR 0.2
5 RPFRRPRR 0.21
6 RPRRRFRR 0.26
7 RPPRRFRR 0.28
8 RPRRRWRR 0.31
9 RPKRRFRR 0.32
10 RPPRRWRR 0.33
11 RPRRRLRR 0.35
12 RPRRRIRR 0.35
13 RPPRRLRR 0.36
14 RPKRRWRR 0.37
15 RPPRRIRR 0.37
16 RPKRRIRR 0.41
17 RPKRRLRR 0.41
18 RPERRFRR 0.45
19 RPRMRPRR 0.46
20 RPFRRFRR 0.47
21 RPPMRPRR 0.48
22 RPERRWRR 0.51
23 RPFRRWRR 0.52
24 RPRRFPRR 0.52
25 RPKMRPRR 0.53
26 RPERRLRR 0.54
27 RPPRFPRR 0.54
28 RPERRIRR 0.54
29 RPFRRIRR 0.56
30 RPFRRLRR 0.56
31 RPKRFPRR 0.59
32 RPEMRPRR 0.66
33 RPFMRPRR 0.68
34 RPRMRFRR 0.72
35 RPERFPRR 0.72
36 RPFRFPRR 0.74
37 RPPMRFRR 0.74
38 RPRMRWRR 0.77
39 RPRRFFRR 0.78
40 RPKMRFRR 0.78
41 RPPMRWRR 0.79
42 RPPRFFRR 0.8
43 RPRMRIRR 0.81
44 RPRMRLRR 0.81
45 RPRRFWRR 0.83
46 RPPMRIRR 0.83
47 RPPMRLRR 0.83
48 RPKMRWRR 0.83
49 RPKRFFRR 0.85
50 RPPRFWRR 0.85
51 RPKMRIRR 0.87
52 RPRRFIRR 0.87
53 RPKMRLRR 0.87
54 RPRRFLRR 0.87
55 RPPRFIRR 0.89
56 RPPRFLRR 0.89
57 RPKRFWRR 0.9
58 RPEMRFRR 0.92
59 RPKRFLRR 0.93
60 RPFMRFRR 0.93
61 RPKRFIRR 0.94
62 RPEMRWRR 0.97
63 RPERFFRR 0.98
64 RPFMRWRR 0.99
65 RPRMFPRR 0.99
66 RPPMFPRR 1.0
67 RPEMRIRR 1.0
68 RPEMRLRR 1.0
69 RPFRFFRR 1.0
70 RPFMRIRR 1.02
71 RPFMRLRR 1.02
72 RPERFWRR 1.03
73 RPFRFWRR 1.05
74 RPKMFPRR 1.05
75 RPERFIRR 1.07
76 RPERFLRR 1.07
77 RPFRFLRR 1.08
78 RPFRFIRR 1.09
79 RPEMFPRR 1.18
80 RPFMFPRR 1.2
81 RPRMFFRR 1.24
82 RPPMFFRR 1.26
83 RPRMFWRR 1.29
84 RPPMFWRR 1.31
85 RPKMFFRR 1.31
86 RPRMFIRR 1.33
87 RPRMFLRR 1.33
88 RPPMFLRR 1.35
89 RPPMFIRR 1.35
90 RPKMFWRR 1.36
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPPRRPRR

5.0

-16.35

-11.35
2 RPFRRPRR

4.64

-14.31

-9.67
3 RPERRLRR

5.19

-14.77

-9.58
4 RPRMRPRR

4.76

-14.26

-9.5
5 RPRRRWRR

4.81

-13.98

-9.17
6 RPPRRFRR

5.04

-14.11

-9.07
7 RPPRRLRR

4.84

-13.9

-9.06
8 RPFRRIRR

4.56

-13.58

-9.02
9 RPRRRPRR

4.68

-13.59

-8.91
10 RPPRRWRR

5.06

-13.96

-8.9
11 RPKRRPRR

4.9

-13.6

-8.7
12 RPPMRPRR

5.04

-13.71

-8.67
13 RPRRFPRR

4.43

-13.05

-8.62
14 RPKRRLRR

4.83

-13.15

-8.32
15 RPRRRIRR

4.77

-13.07

-8.3
16 RPKMRPRR

4.32

-12.61

-8.29
17 RPERRIRR

5.62

-13.88

-8.26
18 RPKRRFRR

4.51

-12.63

-8.12
19 RPRRRLRR

4.67

-12.7

-8.03
20 RPERRFRR

4.84

-12.54

-7.7
21 RPKRRIRR

4.85

-12.52

-7.67
22 RPPRFPRR

4.58

-12.2

-7.62
23 RPFRRFRR

4.93

-12.54

-7.61
24 RPPRRIRR

4.96

-12.51

-7.55
25 RPFRRLRR

5.35

-12.87

-7.52
26 RPERRWRR

5.1

-12.55

-7.45
27 RPFRRWRR

4.82

-12.2

-7.38
28 RPKRRWRR

4.85

-12.08

-7.23
29 RPERRPRR

4.8

-11.85

-7.05
30 RPRRRFRR

7.01

-13.17

-6.16

 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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