Predicted ligand sequences (modelled structure)


ADAN-name: HSE1_1SEM-18.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
G
 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 0.881 ΔGbinding 2.608
TOTAL
 3.489
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.353
Van der Waals -4.543 Backbone clash 1.360
Electrostatics 0.122 Helix dipole 0.000
Solvation Polar 4.398 Water bridges -0.094
Solvation Hyd -6.565 Disulfide 0.000
VdW clashes 4.303 Electrost. Kon 0.075
Entropy sc 0.435 Part.cov.bonds 0.000
Entropy mc

4.124

 ΔGstability

35.523
       

Predicted ligand sequences for model [HSE1_1SEM-18.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-18.PDB  

(data)
# Predicted Sequences Value Calculate
1 RFFIKSIWYY 0.0
2 RFFIKGIWYY 0.04
3 RFFINSIWYY 0.1
4 RFFIKSDWYY 0.13
5 HFFIKSIWYY 0.14
6 RFFINGIWYY 0.14
7 RPFIKSIWYY 0.15
8 RFFIKGDWYY 0.17
9 RFFIKSIKYY 0.17
10 RPFIKGIWYY 0.19
11 HFFIKGIWYY 0.19
12 RFFIKGIKYY 0.22
13 RFFIKSIRYY 0.22
14 RFFINSDWYY 0.23
15 HFFINSIWYY 0.24
16 RPFINSIWYY 0.24
17 RFFINSIKYY 0.27
18 RFFIKGIRYY 0.27
19 RFFINGDWYY 0.27
20 HFFIKSDWYY 0.27
21 RFFIKSHWYY 0.28
22 RPFIKSDWYY 0.28
23 HFFINGIWYY 0.28
24 HPFIKSIWYY 0.29
25 RPFINGIWYY 0.29
26 RRFIKSIWYY 0.3
27 RFFIKSDKYY 0.31
28 HFFIKGDWYY 0.32
29 HFFIKSIKYY 0.32
30 RPFIKGDWYY 0.32
31 RFFINGIKYY 0.32
32 RPFIKSIKYY 0.32
33 RFFINSIRYY 0.32
34 HPFIKGIWYY 0.33
35 RFFIKGHWYY 0.33
36 RRFIKGIWYY 0.34
37 RFFIKGDKYY 0.35
38 FFFIKSIWYY 0.35
39 RFFIKSDRYY 0.35
40 HFFIKSIRYY 0.36
41 RFFINGIRYY 0.36
42 HFFIKGIKYY 0.36
43 HFFINSDWYY 0.37
44 RPFIKGIKYY 0.37
45 RPFIKSIRYY 0.37
46 RPFINSDWYY 0.38
47 RFFINSHWYY 0.38
48 HPFINSIWYY 0.39
49 RRFINSIWYY 0.4
50 RFFIKGDRYY 0.4
51 RFFINSDKYY 0.4
52 FFFIKGIWYY 0.4
53 HFFIKGIRYY 0.41
54 HFFINGDWYY 0.41
55 HFFINSIKYY 0.41
56 RPFIKGIRYY 0.41
57 RPFINSIKYY 0.42
58 RFFINGHWYY 0.42
59 HPFIKSDWYY 0.42
60 RPFINGDWYY 0.42
61 RRFIKSDWYY 0.43
62 HPFINGIWYY 0.43
63 HFFIKSHWYY 0.43
64 RPFIKSHWYY 0.43
65 RRFINGIWYY 0.44
66 HRFIKSIWYY 0.44
67 RPFIKSDKYY 0.45
68 FFFINSIWYY 0.45
69 HFFIKSDKYY 0.45
70 RFFINSDRYY 0.45
71 RFFINGDKYY 0.45
72 HFFINSIRYY 0.46
73 RPFINGIKYY 0.46
74 HFFINGIKYY 0.46
75 RFFIKSHKYY 0.46
76 HFFIKGHWYY 0.47
77 RPFIKGHWYY 0.47
78 RRFIKGDWYY 0.47
79 HPFIKGDWYY 0.47
80 HPFIKSIKYY 0.47
81 RRFIKSIKYY 0.47
82 RPFINSIRYY 0.47
83 HRFIKGIWYY 0.48
84 FFFIKSDWYY 0.48
85 HFFIKGDKYY 0.49
86 RFFINGDRYY 0.49
87 FFFINGIWYY 0.49
88 RPFIKGDKYY 0.5
89 RPFIKSDRYY 0.5
90 FPFIKSIWYY 0.5
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPFIKGIWYY

3.67

-5.47

-1.8
2 RFFIKGIRYY

3.22

-4.59

-1.37
3 RPFIKSIWYY

5.41

-6.64

-1.23
4 RPFIKGDWYY

3.73

-4.9

-1.17
5 RFFIKGIKYY

3.23

-3.49

-0.26
6 HFFIKGIWYY

3.71

-3.45

0.26
7 RPFINGIWYY

4.78

-4.36

0.42
8 RFFINGIWYY

3.9

-3.3

0.6
9 RFFIKGIWYY

4.46

-3.49

0.97
10 HPFIKSIWYY

5.52

-4.07

1.45
11 RFFINGDWYY

4.19

-2.41

1.78
12 RFFIKSIKYY

4.25

-2.45

1.8
13 RPFIKSDWYY

5.35

-3.46

1.89
14 RRFIKSIWYY

5.96

-3.99

1.97
15 RFFIKSIWYY

6.22

-4.2

2.02
16 RFFIKSDKYY

7.53

-5.49

2.04
17 HFFIKGDWYY

3.07

-0.85

2.22
18 HFFIKSIKYY

6.21

-3.96

2.25
19 RFFIKSDWYY

7.04

-4.71

2.33
20 RFFIKGDWYY

6.29

-3.92

2.37
21 RFFINSIWYY

6.22

-3.77

2.45
22 HFFINGIWYY

3.69

-1.04

2.65
23 RPFINSIWYY

5.03

-1.91

3.12
24 RFFINSDWYY

6.07

-2.88

3.19
25 RFFIKSIRYY

7.06

-3.8

3.26
26 HFFIKSDWYY

5.09

-1.52

3.57
27 RFFIKSHWYY

6.5

-2.77

3.73
28 RFFINSIKYY

5.99

-1.92

4.07
29 HFFINSIWYY

5.25

-1.04

4.21
30 HFFIKSIWYY

6.28

-1.31

4.97

 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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