Predicted ligand sequences


ADAN-name: 1JSU2.PDB (view again the scoring matrix)

PDB name: [1JSU.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT G K Y E W Q E V E K G S L P E F Y Y R P
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
poly-Ala G A
A
 A
A
 A
A
A
A
 A
G
 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 12.841 ΔGbinding -33.810
TOTAL
 -20.969
Backbone Hb -10.700 Cis_bond 0.000
Sidechain Hb -7.163 Torsional clash 1.050
Van der Waals -23.949 Backbone clash 1.067
Electrostatics -3.683 Helix dipole -0.021
Solvation Polar 26.984 Water bridges 0.174
Solvation Hyd -33.703 Disulfide 0.000
VdW clashes 2.776 Electrost. Kon -1.449
Entropy sc 7.614 Part.cov.bonds 0.000
Entropy mc

8.259

 ΔGstability

-30.104
       

Predicted ligand sequences for template [1JSU2.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).
 
  1JSU2.PDB  

(data)
# Predicted Sequences Value Calculate
1 WYDWWQLDWHSsLPyVYLRy 0.0
2 WYDWWQLDWMSsLPyVYLRy 0.05
3 WFDWWQLDWHSsLPyVYLRy 0.12
4 WYDIWQLDWHSsLPyVYLRy 0.12
5 WYDWWQLDWHSsVPyVYLRy 0.15
6 WYDWWQLDWKSsLPyVYLRy 0.15
7 WYMWWQLDWHSsLPyVYLRy 0.16
8 WYDIWQLDWMSsLPyVYLRy 0.17
9 WFDWWQLDWMSsLPyVYLRy 0.17
10 WYDWWQLDWHSDLPyVYLRy 0.19
11 WYDWWQLDWMSsVPyVYLRy 0.2
12 WYDWWQLDWHSsLPyVYMRy 0.21
13 WYMWWQLDWMSsLPyVYLRy 0.21
14 MYDWWQLDWHSsLPyVYLRy 0.21
15 WYDWWQLDWHssLPyVYLRy 0.22
16 RYDWWQLDWHSsLPyVYLRy 0.23
17 WYDWWQLDWMSDLPyVYLRy 0.24
18 WFDIWQLDWHSsLPyVYLRy 0.24
19 WYDWWQLDWHSsMPyVYLRy 0.25
20 WYDMWQLDWHSsLPyVYLRy 0.26
21 WYDWWQLDWMSsLPyVYMRy 0.26
22 MYDWWQLDWMSsLPyVYLRy 0.26
23 WYDWWQLDWMssLPyVYLRy 0.27
24 WFDWWQLDWKSsLPyVYLRy 0.27
25 WYDIWQLDWKSsLPyVYLRy 0.27
26 WYDIWQLDWHSsVPyVYLRy 0.27
27 WFDWWQLDWHSsVPyVYLRy 0.27
28 WFMWWQLDWHSsLPyVYLRy 0.28
29 RYDWWQLDWMSsLPyVYLRy 0.28
30 WFDIWQLDWMSsLPyVYLRy 0.29
31 WYMIWQLDWHSsLPyVYLRy 0.29
32 WYDWWQLDWMSsMPyVYLRy 0.3
33 WYDWWQLDWKSsVPyVYLRy 0.3
34 WYDWWQLDWHSELPyVYLRy 0.31
35 WFDWWQLDWHSDLPyVYLRy 0.31
36 WYMWWQLDWHSsVPyVYLRy 0.31
37 WYDWWTLDWHSsLPyVYLRy 0.31
38 WYMWWQLDWKSsLPyVYLRy 0.31
39 WYDMWQLDWMSsLPyVYLRy 0.31
40 WFDWWQLDWMSsVPyVYLRy 0.32
41 WYDIWQLDWHSDLPyVYLRy 0.32
42 WFDWWQLDWHSsLPyVYMRy 0.32
43 WYDIWQLDWMSsVPyVYLRy 0.32
44 WYDIWQLDWHSsLPyVYMRy 0.33
45 WFMWWQLDWMSsLPyVYLRy 0.33
46 WYDWWQLDWHSsLPyVYKRy 0.33
47 MFDWWQLDWHSsLPyVYLRy 0.33
48 WYDIWQLDWHssLPyVYLRy 0.34
49 WYDWWQLDWHSsLPyVYLRR 0.34
50 WYMIWQLDWMSsLPyVYLRy 0.34
51 MYDIWQLDWHSsLPyVYLRy 0.34
52 WYDWWQLDWKSDLPyVYLRy 0.34
53 WFDWWQLDWHssLPyVYLRy 0.34
54 WYDWWQLDWHSDVPyVYLRy 0.34
55 WNDWWQLDWHSsLPyVYLRy 0.35
56 RYDIWQLDWHSsLPyVYLRy 0.35
57 WYDWWQLDWHSsVPyVYMRy 0.35
58 WYMWWQLDWHSDLPyVYLRy 0.35
59 WYDWWQLDWKSsLPyVYMRy 0.35
60 RFDWWQLDWHSsLPyVYLRy 0.35
61 WYDWWQLDWMSELPyVYLRy 0.36
62 MYDWWQLDWHSsVPyVYLRy 0.36
63 WYDWWTLDWMSsLPyVYLRy 0.36
64 WYDIWQLDWMSDLPyVYLRy 0.36
65 WFDWWQLDWMSDLPyVYLRy 0.36
66 MYDWWQLDWKSsLPyVYLRy 0.36
67 WYMWWQLDWMSsVPyVYLRy 0.36
68 WYMWWQLDWHSsLPyVYMRy 0.37
69 WFDWWQLDWMSsLPyVYMRy 0.37
70 WYDWWQLDWHssVPyVYLRy 0.37
71 WYDWWQLDWKssLPyVYLRy 0.37
72 WFDWWQLDWHSsMPyVYLRy 0.37
73 WYMWWQLDWHssLPyVYLRy 0.38
74 MYMWWQLDWHSsLPyVYLRy 0.38
75 WYDIWQLDWMSsLPyVYMRy 0.38
76 WYDIWQLDWHSsMPyVYLRy 0.38
77 MFDWWQLDWMSsLPyVYLRy 0.38
78 RYDWWQLDWHSsVPyVYLRy 0.38
79 WFDMWQLDWHSsLPyVYLRy 0.38
80 RYDWWQLDWKSsLPyVYLRy 0.38
81 WYDWWQLDWMSsLPyVYKRy 0.38
82 WYDWWQLDWMSsLPyVYLRR 0.39
83 WYDIWQLDWMssLPyVYLRy 0.39
84 WFDIWQLDWKSsLPyVYLRy 0.39
85 WFDWWQLDWMssLPyVYLRy 0.39
86 WYDWWQLDWMSDVPyVYLRy 0.39
87 WFDIWQLDWHSsVPyVYLRy 0.39
88 MYDIWQLDWMSsLPyVYLRy 0.39
89 RYMWWQLDWHSsLPyVYLRy 0.39
90 WYDWWQLDWHSDLPyVYMRy 0.4
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WYDWWQLDWHSsLPyVYMRy

3.97

-29.1

-25.13
2 WYDWWQLDWMssLPyVYLRy

5.49

-29.77

-24.28
3 WYDWWQLDWMSsLPyVYLRy

3.8

-27.23

-23.43
4 WYDIWQLDWKSsLPyVYLRy

5.78

-29.07

-23.29
5 WFDWWQLDWKSsLPyVYLRy

6.66

-29.4

-22.74
6 WYDIWQLDWHSsVPyVYLRy

7.52

-30.07

-22.55
7 RYDWWQLDWMSsLPyVYLRy

4.14

-26.47

-22.33
8 WYDWWQLDWKSsLPyVYLRy

5.52

-27.76

-22.24
9 WFMWWQLDWHSsLPyVYLRy

5.99

-28.0

-22.01
10 WYDIWQLDWMSsLPyVYLRy

5.78

-27.63

-21.85
11 WFDIWQLDWMSsLPyVYLRy

5.4

-27.08

-21.68
12 WYDWWQLDWMSsLPyVYMRy

4.23

-25.67

-21.44
13 WYDWWQLDWMSsVPyVYLRy

7.53

-28.94

-21.41
14 WYDWWQLDWMSDLPyVYLRy

4.18

-24.97

-20.79
15 WYMWWQLDWMSsLPyVYLRy

5.27

-25.96

-20.69
16 WFDWWQLDWMSsLPyVYLRy

5.73

-26.16

-20.43
17 RYDWWQLDWHSsLPyVYLRy

7.11

-27.51

-20.4
18 WYDMWQLDWHSsLPyVYLRy

5.87

-26.04

-20.17
19 WYDWWQLDWHSsMPyVYLRy

7.31

-27.32

-20.01
20 MYDWWQLDWMSsLPyVYLRy

5.67

-25.6

-19.93
21 WYDWWQLDWHSsVPyVYLRy

8.73

-27.15

-18.42
22 WFDIWQLDWHSsLPyVYLRy

12.41

-30.5

-18.09
23 WYDWWQLDWHSDLPyVYLRy

9.84

-26.61

-16.77
24 MYDWWQLDWHSsLPyVYLRy

10.24

-26.96

-16.72
25 WFDWWQLDWHSsLPyVYLRy

12.62

-28.73

-16.11
26 WFDWWQLDWHSsVPyVYLRy

14.72

-30.49

-15.77
27 WYDWWQLDWHssLPyVYLRy

11.0

-26.23

-15.23
28 WYDIWQLDWHSsLPyVYLRy

14.74

-28.76

-14.02
29 WYDWWQLDWHSsLPyVYLRy

14.39

-26.91

-12.52
30 WYMWWQLDWHSsLPyVYLRy

9.32

-21.65

-12.33

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER