Predicted ligand sequences (modelled structure)


ADAN-name: HSE1_1OEB-2.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 10
poly-Ala
A
 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 12.000 ΔGbinding 5.482
TOTAL
 17.482
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 1.197
Van der Waals -4.494 Backbone clash 0.008
Electrostatics -0.342 Helix dipole 0.000
Solvation Polar 4.523 Water bridges 0.000
Solvation Hyd -6.674 Disulfide 0.000
VdW clashes 11.090 Electrost. Kon -0.411
Entropy sc 1.015 Part.cov.bonds 0.000
Entropy mc

2.128

 ΔGstability

61.194
       

Predicted ligand sequences for model [HSE1_1OEB-2.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-2.PDB  

(data)
# Predicted Sequences Value Calculate
1 MRRFKWRDPR 0.0
2 MRRFYWRDPR 0.06
3 MRKFKWRDPR 0.08
4 MRRFRWRDPR 0.09
5 MRRFKWRPPR 0.15
6 MRKFYWRDPR 0.15
7 MRPFKWRDPR 0.16
8 MRKFRWRDPR 0.18
9 MRRFYWRPPR 0.21
10 MRPFYWRDPR 0.22
11 MRKFKWRPPR 0.23
12 MRRFRWRPPR 0.24
13 MRPFRWRDPR 0.25
14 MHRFKWRDPR 0.27
15 MRRFKWRRPR 0.27
16 MRKFYWRPPR 0.3
17 MRPFKWRPPR 0.31
18 MRRFKWRDPH 0.31
19 VRRFKWRDPR 0.33
20 MRRFKWRDPK 0.33
21 MRKFRWRPPR 0.33
22 MRRFYWRRPR 0.34
23 MHRFYWRDPR 0.34
24 MRKFKWRRPR 0.36
25 MHKFKWRDPR 0.36
26 MRRFRWRRPR 0.37
27 MHRFRWRDPR 0.37
28 MRRFYWRDPH 0.37
29 MRPFYWRPPR 0.37
30 MRRFYWRDPK 0.39
31 VRRFYWRDPR 0.39
32 MRKFKWRDPH 0.39
33 MRPFRWRPPR 0.4
34 MMRFKWRDPR 0.4
35 MRRFRWRDPH 0.4
36 VRKFKWRDPR 0.41
37 MRKFKWRDPK 0.41
38 VRRFRWRDPR 0.42
39 MHRFKWRPPR 0.42
40 MRKFYWRRPR 0.42
41 MHKFYWRDPR 0.42
42 MRRFRWRDPK 0.42
43 MHPFKWRDPR 0.43
44 MRPFKWRRPR 0.43
45 MRKFRWRRPR 0.45
46 MHKFRWRDPR 0.45
47 MRKFYWRDPH 0.46
48 MRPFKWRDPH 0.46
49 MRRFKWRPPH 0.46
50 MMRFYWRDPR 0.46
51 VRRFKWRPPR 0.47
52 VRKFYWRDPR 0.47
53 MRKFYWRDPK 0.48
54 MRRFKWRPPK 0.48
55 MMKFKWRDPR 0.48
56 VRPFKWRDPR 0.48
57 MRKFRWRDPH 0.48
58 MMRFRWRDPR 0.49
59 MHRFYWRPPR 0.49
60 MRPFKWRDPK 0.49
61 MRPFYWRRPR 0.49
62 MHPFYWRDPR 0.5
63 VRKFRWRDPR 0.5
64 MHKFKWRPPR 0.51
65 MRKFRWRDPK 0.51
66 MHPFRWRDPR 0.52
67 MHRFRWRPPR 0.52
68 MRRFYWRPPH 0.52
69 MRPFRWRRPR 0.52
70 MRPFYWRDPH 0.53
71 MMKFYWRDPR 0.54
72 MRRFYWRPPK 0.54
73 VRRFYWRPPR 0.54
74 MRKFKWRPPH 0.54
75 MMRFKWRPPR 0.55
76 MRRFRWRPPH 0.55
77 MRPFYWRDPK 0.55
78 MHRFKWRRPR 0.55
79 VRPFYWRDPR 0.55
80 MMPFKWRDPR 0.55
81 MRPFRWRDPH 0.56
82 VRKFKWRPPR 0.56
83 MRKFKWRPPK 0.56
84 VRPFRWRDPR 0.57
85 MRRFRWRPPK 0.57
86 MHKFYWRPPR 0.57
87 MMKFRWRDPR 0.57
88 VRRFRWRPPR 0.57
89 MHRFKWRDPH 0.58
90 MRPFRWRDPK 0.58
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MRPFRWRDPR

7.09

-12.24

-5.15
2 VRRFKWRDPR

8.85

-12.66

-3.81
3 MHRFRWRDPR

6.88

-9.1

-2.22
4 MRRFYWRDPR

9.32

-10.41

-1.09
5 MRRFYWRPPR

9.9

-10.74

-0.84
6 MRRFKWRRPR

8.78

-8.71

0.07
7 MRKFKWRDPR

8.66

-8.19

0.47
8 MRRFKWRPPR

8.77

-8.15

0.62
9 MRRFYWRDPH

7.55

-6.92

0.63
10 MRKFRWRDPR

8.69

-7.98

0.71
11 MRPFKWRPPR

8.65

-7.84

0.81
12 MRRFYWRDPK

8.28

-7.26

1.02
13 MHRFKWRDPR

8.19

-6.98

1.21
14 MRRFRWRDPR

8.74

-7.48

1.26
15 MRRFRWRPPR

9.39

-7.81

1.58
16 MRRFYWRRPR

8.07

-6.46

1.61
17 MHKFKWRDPR

7.48

-5.82

1.66
18 MRRFKWRDPH

7.93

-5.7

2.23
19 MHRFYWRDPR

7.12

-4.79

2.33
20 MRPFYWRPPR

8.73

-6.28

2.45
21 MRRFKWRDPR

10.05

-7.38

2.67
22 MRRFKWRDPK

8.72

-5.89

2.83
23 MRKFKWRPPR

10.56

-7.45

3.11
24 MRKFRWRPPR

10.2

-7.08

3.12
25 MRPFYWRDPR

8.65

-5.52

3.13
26 MRKFKWRRPR

10.76

-7.6

3.16
27 MRKFYWRDPR

10.86

-7.55

3.31
28 MRPFKWRDPR

10.41

-7.06

3.35
29 MRRFRWRRPR

10.72

-7.16

3.56
30 MRKFYWRPPR

10.23

-6.35

3.88

 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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