Predicted ligand sequences (modelled structure)


ADAN-name: HSE1_1OEB-11.PDB (view again the scoring matrix)

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

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 4.752 ΔGbinding -1.227
TOTAL
 3.525
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.977
Van der Waals -3.469 Backbone clash 0.002
Electrostatics 0.393 Helix dipole 0.000
Solvation Polar 3.539 Water bridges 0.010
Solvation Hyd -4.836 Disulfide 0.000
VdW clashes 0.064 Electrost. Kon 0.467
Entropy sc 0.417 Part.cov.bonds 0.000
Entropy mc

2.486

 ΔGstability

41.813
       

Predicted ligand sequences for model [HSE1_1OEB-11.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-11.PDB  

(data)
# Predicted Sequences Value Calculate
1 YDPMHNK 0.0
2 YDPMHQK 0.05
3 YDPLHNK 0.08
4 YPPMHNK 0.11
5 YDPLHQK 0.13
6 YPPMHQK 0.16
7 YPPLHNK 0.19
8 YDPKHNK 0.21
9 YPPLHQK 0.24
10 YDPMRNK 0.26
11 YDRMHNK 0.26
12 YDPKHQK 0.26
13 YDRMHQK 0.31
14 YDPMRQK 0.31
15 YPPKHNK 0.32
16 YDRLHNK 0.34
17 YDPLRNK 0.35
18 YDKMHNK 0.35
19 YPPKHQK 0.37
20 YPPMRNK 0.37
21 YPRMHNK 0.37
22 YDRLHQK 0.39
23 YDKMHQK 0.39
24 YDPLRQK 0.39
25 YPRMHQK 0.42
26 YPPMRQK 0.42
27 YDKLHNK 0.43
28 YDPMHPK 0.44
29 YPRLHNK 0.45
30 YPPLRNK 0.46
31 YPKMHNK 0.46
32 YDKLHQK 0.47
33 YDRKHNK 0.47
34 YDPKRNK 0.48
35 YPPLRQK 0.5
36 YPRLHQK 0.5
37 YPKMHQK 0.5
38 YDPLHPK 0.52
39 YDPKRQK 0.52
40 YDRKHQK 0.52
41 YDRMRNK 0.53
42 YPKLHNK 0.54
43 YPPMHPK 0.55
44 YDKKHNK 0.56
45 YDRMRQK 0.57
46 YPRKHNK 0.58
47 YPKLHQK 0.58
48 YPPKRNK 0.59
49 YDKKHQK 0.61
50 YDKMRNK 0.61
51 YDRLRNK 0.61
52 YPPLHPK 0.63
53 YPPKRQK 0.63
54 YPRKHQK 0.63
55 YPRMRNK 0.64
56 YDPKHPK 0.65
57 YDRLRQK 0.65
58 YDKMRQK 0.66
59 YPKKHNK 0.67
60 YPRMRQK 0.68
61 YDKLRNK 0.69
62 YDPMRPK 0.7
63 YDRMHPK 0.7
64 YPKKHQK 0.72
65 YPKMRNK 0.72
66 YPRLRNK 0.72
67 YDRKRNK 0.74
68 YDKLRQK 0.74
69 YPPKHPK 0.76
70 YPRLRQK 0.76
71 YPKMRQK 0.77
72 YDPLRPK 0.78
73 YDKMHPK 0.78
74 YDRLHPK 0.78
75 YDRKRQK 0.79
76 YPKLRNK 0.8
77 YPRMHPK 0.81
78 YPPMRPK 0.81
79 YDKKRNK 0.82
80 YPKLRQK 0.85
81 YPRKRNK 0.85
82 YDKLHPK 0.87
83 YDKKRQK 0.87
84 YPKMHPK 0.89
85 YPPLRPK 0.89
86 YPRLHPK 0.89
87 YPRKRQK 0.9
88 YDRKHPK 0.91
89 YDPKRPK 0.92
90 YPKKRNK 0.93
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 YPPMHNK

4.68

-11.74

-7.06
2 YPRMHQK

4.18

-10.87

-6.69
3 YPPLRNK

4.9

-11.47

-6.57
4 YPPMHQK

4.16

-10.68

-6.52
5 YPRLHNK

4.69

-10.97

-6.28
6 YPPMRNK

4.91

-11.12

-6.21
7 YPRMHNK

4.85

-10.69

-5.84
8 YPPLHNK

4.64

-10.35

-5.71
9 YDPMRNK

5.1

-10.65

-5.55
10 YPPMRQK

4.56

-10.03

-5.47
11 YPPKHNK

4.73

-10.2

-5.47
12 YDRLHNK

4.83

-10.26

-5.43
13 YDRMHNK

5.17

-10.59

-5.42
14 YDPLRNK

5.13

-10.51

-5.38
15 YDPLHQK

4.41

-9.75

-5.34
16 YDKLHNK

4.94

-10.24

-5.3
17 YDPMHQK

4.33

-9.58

-5.25
18 YDKMHQK

4.31

-9.49

-5.18
19 YDPMRQK

4.49

-9.54

-5.05
20 YDPLHNK

4.91

-9.92

-5.01
21 YDPLRQK

4.61

-9.34

-4.73
22 YDRLHQK

4.34

-8.92

-4.58
23 YPPKHQK

4.36

-8.9

-4.54
24 YDPKHNK

4.76

-9.22

-4.46
25 YDPKHQK

4.36

-8.75

-4.39
26 YDKMHNK

4.75

-9.05

-4.3
27 YDPMHPK

4.56

-8.81

-4.25
28 YPPLHQK

4.16

-8.4

-4.24
29 YDPMHNK

5.22

-9.31

-4.09
30 YDRMHQK

4.36

-8.13

-3.77

 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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