Predicted ligand sequences (modelled structure)


ADAN-name: HSE1_1SEM-20.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
G
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 2.270 ΔGbinding -0.103
TOTAL
 2.167
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.436
Van der Waals -5.135 Backbone clash 0.190
Electrostatics 0.391 Helix dipole 0.000
Solvation Polar 5.681 Water bridges -0.038
Solvation Hyd -6.898 Disulfide 0.000
VdW clashes 2.832 Electrost. Kon 0.487
Entropy sc 0.874 Part.cov.bonds 0.000
Entropy mc

3.817

 ΔGstability

33.974
       

Predicted ligand sequences for model [HSE1_1SEM-20.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_1SEM-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 YRFRFGRRR 0.0
2 YRPRFGRRR 0.05
3 YRWRFGRRR 0.05
4 YRHRFGRRR 0.17
5 YRFRWGRRR 0.18
6 YRPRWGRRR 0.23
7 YRWRWGRRR 0.23
8 YRFRNGRRR 0.28
9 YRWRNGRRR 0.33
10 YRPRNGRRR 0.33
11 YRHRWGRRR 0.35
12 FRFRFGRRR 0.35
13 YRFRIGRRR 0.37
14 YRFRFGRRM 0.38
15 FRPRFGRRR 0.39
16 FRWRFGRRR 0.4
17 YRPRIGRRR 0.41
18 YRWRIGRRR 0.42
19 RRFRFGRRR 0.42
20 YRPRFGRRM 0.43
21 YRWRFGRRM 0.43
22 YRHRNGRRR 0.45
23 RRWRFGRRR 0.47
24 RRPRFGRRR 0.47
25 FRHRFGRRR 0.52
26 FRFRWGRRR 0.53
27 YRHRIGRRR 0.54
28 YRHRFGRRM 0.55
29 YRFRWGRRM 0.56
30 FRWRWGRRR 0.58
31 FRPRWGRRR 0.58
32 RRHRFGRRR 0.59
33 YRPRWGRRM 0.61
34 RRFRWGRRR 0.61
35 YRWRWGRRM 0.62
36 FRFRNGRRR 0.63
37 RRPRWGRRR 0.65
38 YRFRNGRRM 0.66
39 RRWRWGRRR 0.66
40 FRWRNGRRR 0.68
41 FRPRNGRRR 0.68
42 FRHRWGRRR 0.7
43 RRFRNGRRR 0.7
44 FRFRIGRRR 0.71
45 YRWRNGRRM 0.71
46 YRPRNGRRM 0.71
47 FRFRFGRRM 0.73
48 YRHRWGRRM 0.74
49 YRFRIGRRM 0.75
50 RRWRNGRRR 0.75
51 RRPRNGRRR 0.75
52 FRPRIGRRR 0.76
53 FRWRIGRRR 0.77
54 FRWRFGRRM 0.78
55 FRPRFGRRM 0.78
56 RRHRWGRRR 0.78
57 RRFRIGRRR 0.79
58 YRWRIGRRM 0.8
59 FRHRNGRRR 0.8
60 YRPRIGRRM 0.8
61 RRFRFGRRM 0.8
62 YRHRNGRRM 0.83
63 RRPRIGRRR 0.84
64 RRWRIGRRR 0.84
65 RRPRFGRRM 0.85
66 RRWRFGRRM 0.86
67 RRHRNGRRR 0.88
68 FRHRIGRRR 0.89
69 FRHRFGRRM 0.9
70 FRFRWGRRM 0.91
71 YRHRIGRRM 0.92
72 FRWRWGRRM 0.96
73 RRHRIGRRR 0.96
74 FRPRWGRRM 0.96
75 RRHRFGRRM 0.98
76 RRFRWGRRM 0.99
77 FRFRNGRRM 1.01
78 RRPRWGRRM 1.04
79 RRWRWGRRM 1.04
80 FRWRNGRRM 1.06
81 FRPRNGRRM 1.06
82 FRHRWGRRM 1.08
83 RRFRNGRRM 1.08
84 FRFRIGRRM 1.1
85 RRPRNGRRM 1.13
86 FRPRIGRRM 1.14
87 RRWRNGRRM 1.14
88 FRWRIGRRM 1.15
89 RRHRWGRRM 1.16
90 RRFRIGRRM 1.17
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 YRFRIGRRR

4.69

-13.98

-9.29
2 YRHRFGRRR

5.4

-14.17

-8.77
3 YRFRWGRRM

6.11

-14.66

-8.55
4 YRWRNGRRR

4.65

-12.74

-8.09
5 YRPRFGRRM

5.34

-13.36

-8.02
6 YRFRNGRRR

4.58

-12.31

-7.73
7 YRHRFGRRM

5.41

-12.93

-7.52
8 FRPRFGRRR

5.73

-13.14

-7.41
9 YRFRWGRRR

6.06

-13.44

-7.38
10 RRFRFGRRR

5.42

-12.67

-7.25
11 YRHRIGRRR

4.36

-11.41

-7.05
12 YRWRFGRRM

5.66

-12.66

-7.0
13 YRHRWGRRR

5.76

-12.6

-6.84
14 FRHRFGRRR

6.2

-12.98

-6.78
15 YRWRIGRRR

5.01

-11.77

-6.76
16 YRPRIGRRR

4.55

-11.2

-6.65
17 FRFRFGRRR

5.7

-12.33

-6.63
18 YRPRNGRRR

5.73

-12.09

-6.36
19 YRWRWGRRR

6.01

-12.3

-6.29
20 YRFRFGRRM

6.59

-12.78

-6.19
21 YRPRWGRRR

5.74

-11.91

-6.17
22 FRWRFGRRR

5.58

-11.51

-5.93
23 FRWRWGRRR

4.9

-10.76

-5.86
24 YRHRNGRRR

4.7

-10.51

-5.81
25 YRFRFGRRR

5.67

-11.28

-5.61
26 FRFRWGRRR

5.74

-11.23

-5.49
27 YRWRFGRRR

6.11

-11.52

-5.41
28 RRWRFGRRR

5.67

-11.07

-5.4
29 YRPRFGRRR

6.18

-11.16

-4.98
30 RRPRFGRRR

5.65

-10.34

-4.69

 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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