Predicted ligand sequences (modelled structure)


ADAN-name: HSE1_1OEB-27.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 G 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 4.024 ΔGbinding -2.517
TOTAL
 1.507
Backbone Hb -1.913 Cis_bond 0.000
Sidechain Hb -1.913 Torsional clash 0.226
Van der Waals -4.705 Backbone clash 0.094
Electrostatics -0.269 Helix dipole 0.000
Solvation Polar 5.808 Water bridges -0.084
Solvation Hyd -5.992 Disulfide 0.000
VdW clashes 3.551 Electrost. Kon -0.350
Entropy sc 1.269 Part.cov.bonds 0.000
Entropy mc

1.854

 ΔGstability

47.143
       

Predicted ligand sequences for model [HSE1_1OEB-27.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-27.PDB  

(data)
# Predicted Sequences Value Calculate
1 YRRPDPRRR 0.0
2 YRRPDDRRR 0.09
3 YRRPDPRRH 0.1
4 YRRPDPRRP 0.1
5 YRRPDLRRR 0.13
6 YKRPDPRRR 0.13
7 YRRPWPRRR 0.16
8 YRRPRPRRR 0.17
9 YRRPDDRRH 0.19
10 YRRPDDRRP 0.19
11 YGRPDPRRR 0.21
12 YKRPDDRRR 0.21
13 YKRPDPRRP 0.23
14 YKRPDPRRH 0.23
15 YRRPDLRRP 0.24
16 YRRPDLRRH 0.24
17 YRRPWDRRR 0.25
18 YKRPDLRRR 0.26
19 YRRPRDRRR 0.26
20 YRRPWPRRH 0.27
21 YRRPWPRRP 0.27
22 YRRPRPRRH 0.28
23 YRRPRPRRP 0.28
24 YGRPDDRRR 0.29
25 YKRPWPRRR 0.29
26 YRRPWLRRR 0.3
27 YRPPDPRRR 0.3
28 YKRPRPRRR 0.3
29 YGRPDPRRP 0.31
30 YGRPDPRRH 0.31
31 YRRPRLRRR 0.31
32 YKRPDDRRP 0.32
33 YKRPDDRRH 0.32
34 YGRPDLRRR 0.34
35 YRRPWDRRH 0.35
36 YRRPWDRRP 0.35
37 YKRPDLRRH 0.36
38 YKRPDLRRP 0.36
39 YRRPRDRRH 0.37
40 YRRPRDRRP 0.37
41 YGRPWPRRR 0.37
42 YGRPRPRRR 0.38
43 YKRPWDRRR 0.38
44 WRRPDPRRR 0.39
45 YKRPWPRRP 0.39
46 YKRPWPRRH 0.39
47 YKRPRDRRR 0.39
48 YRPPDDRRR 0.39
49 YGRPDDRRP 0.4
50 YGRPDDRRH 0.4
51 YRRPWLRRP 0.4
52 YRRPWLRRH 0.4
53 YRPPDPRRH 0.4
54 YRPPDPRRP 0.4
55 YKRPRPRRP 0.4
56 YKRPRPRRH 0.4
57 YRRPRLRRH 0.41
58 YRRPRLRRP 0.41
59 YKPPDPRRR 0.42
60 YKRPWLRRR 0.42
61 YRKPDPRRR 0.42
62 YRPPDLRRR 0.43
63 YKRPRLRRR 0.43
64 YGRPDLRRP 0.44
65 YGRPDLRRH 0.44
66 MRRPDPRRR 0.45
67 YRPPWPRRR 0.46
68 YGRPWDRRR 0.46
69 YRPPRPRRR 0.47
70 YGRPWPRRP 0.47
71 YGRPWPRRH 0.47
72 YGRPRDRRR 0.47
73 YGRPRPRRH 0.48
74 YGRPRPRRP 0.48
75 WRRPDDRRR 0.48
76 YKRPWDRRH 0.48
77 YKRPWDRRP 0.48
78 YKRPRDRRH 0.49
79 WRRPDPRRH 0.49
80 WRRPDPRRP 0.49
81 YKRPRDRRP 0.49
82 YRPPDDRRP 0.49
83 YRPPDDRRH 0.49
84 YGPPDPRRR 0.5
85 YGRPWLRRR 0.5
86 YRKPDDRRR 0.51
87 YKPPDDRRR 0.51
88 WKRPDPRRR 0.51
89 YGRPRLRRR 0.52
90 YRKPDPRRP 0.52
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 YGRPDPRRP

4.14

-10.5

-6.36
2 YGRPDDRRR

4.09

-10.07

-5.98
3 YRRPWLRRR

5.74

-11.58

-5.84
4 YGRPDPRRH

4.37

-10.04

-5.67
5 YGRPDPRRR

4.33

-9.88

-5.55
6 YKRPDPRRP

5.7

-11.06

-5.36
7 YRRPDLRRR

6.12

-11.39

-5.27
8 YRRPRPRRH

6.25

-11.44

-5.19
9 YRRPRDRRR

6.48

-11.64

-5.16
10 YKRPRPRRR

4.72

-9.84

-5.12
11 YRRPDDRRP

6.43

-11.52

-5.09
12 YRRPWPRRR

6.4

-11.34

-4.94
13 YKRPDPRRR

5.85

-10.77

-4.92
14 YRPPDPRRR

6.03

-10.89

-4.86
15 YRRPRPRRR

6.14

-10.98

-4.84
16 YRRPDPRRP

6.57

-11.26

-4.69
17 YRRPDPRRR

6.48

-11.15

-4.67
18 YKRPDLRRR

5.88

-10.49

-4.61
19 YKRPDDRRR

6.55

-11.09

-4.54
20 YKRPDPRRH

6.16

-10.7

-4.54
21 YRRPRPRRP

6.56

-11.07

-4.51
22 YRRPDLRRH

6.38

-10.82

-4.44
23 YRRPDLRRP

6.1

-10.32

-4.22
24 YKRPWPRRR

6.44

-10.48

-4.04
25 YRRPDDRRH

6.52

-10.21

-3.69
26 YRRPWPRRH

6.64

-10.1

-3.46
27 YRRPWDRRR

6.54

-9.89

-3.35
28 YRRPDDRRR

7.06

-10.29

-3.23
29 YRRPWPRRP

6.53

-9.73

-3.2
30 YRRPDPRRH

6.69

-9.82

-3.13

 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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