Predicted ligand sequences (modelled structure)


ADAN-name: BEM1-D1_JO8-QCF-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 7.488 ΔGbinding -2.459
TOTAL
 5.029
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.421
Van der Waals -4.566 Backbone clash 0.081
Electrostatics -0.183 Helix dipole 0.000
Solvation Polar 5.334 Water bridges -0.026
Solvation Hyd -6.365 Disulfide 0.000
VdW clashes 0.896 Electrost. Kon -0.175
Entropy sc 0.949 Part.cov.bonds 0.000
Entropy mc

3.804

 ΔGstability

50.871
       

Predicted ligand sequences for model [BEM1-D1_JO8-QCF-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).
 
  BEM1-D1_JO8-QCF-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 FRPFNGRSR 0.0
2 FRPFRGRSR 0.09
3 FRPFSGRSR 0.28
4 FRSFNGRSR 0.29
5 FRPMNGRSR 0.29
6 FRRFNGRSR 0.3
7 FRIFNGRSR 0.31
8 FRMFNGRSR 0.31
9 FRPRNGRSR 0.33
10 FRPFPGRSR 0.36
11 FRPMRGRSR 0.39
12 FRSFRGRSR 0.39
13 FRMFRGRSR 0.4
14 FRIFRGRSR 0.4
15 FRRFRGRSR 0.4
16 FRPRRGRSR 0.42
17 FRPFIGRSR 0.46
18 RRPFNGRSR 0.56
19 FRPMSGRSR 0.58
20 FRSFSGRSR 0.58
21 FRSMNGRSR 0.59
22 FRMFSGRSR 0.59
23 FRRFSGRSR 0.59
24 FRIFSGRSR 0.59
25 YRPFNGRSR 0.59
26 FRRMNGRSR 0.6
27 FRMMNGRSR 0.6
28 FRIMNGRSR 0.6
29 FRPRSGRSR 0.61
30 FRSRNGRSR 0.62
31 FRRRNGRSR 0.63
32 FRMRNGRSR 0.64
33 FRIRNGRSR 0.64
34 FRSFPGRSR 0.65
35 RRPFRGRSR 0.65
36 FRPMPGRSR 0.65
37 FRRFPGRSR 0.66
38 FRIFPGRSR 0.67
39 FRMFPGRSR 0.67
40 YRPFRGRSR 0.68
41 FRSMRGRSR 0.68
42 FRMMRGRSR 0.69
43 FRPRPGRSR 0.69
44 FRRMRGRSR 0.69
45 FRIMRGRSR 0.7
46 FRRRRGRSR 0.72
47 FRSRRGRSR 0.72
48 FRMRRGRSR 0.73
49 FRIRRGRSR 0.73
50 FRPMIGRSR 0.75
51 FRSFIGRSR 0.75
52 FRRFIGRSR 0.76
53 FRIFIGRSR 0.77
54 FRMFIGRSR 0.77
55 FRPRIGRSR 0.79
56 RRPFSGRSR 0.84
57 RRPMNGRSR 0.85
58 RRSFNGRSR 0.86
59 RRRFNGRSR 0.86
60 YRPFSGRSR 0.87
61 RRIFNGRSR 0.87
62 RRMFNGRSR 0.87
63 FRSMSGRSR 0.87
64 FRRMSGRSR 0.88
65 YRPMNGRSR 0.88
66 YRSFNGRSR 0.88
67 FRMMSGRSR 0.89
68 RRPRNGRSR 0.89
69 FRIMSGRSR 0.89
70 YRRFNGRSR 0.89
71 YRIFNGRSR 0.9
72 YRMFNGRSR 0.9
73 FRSRSGRSR 0.91
74 FRRRSGRSR 0.92
75 YRPRNGRSR 0.92
76 RRPFPGRSR 0.92
77 FRMRSGRSR 0.92
78 FRIRSGRSR 0.93
79 FRSMPGRSR 0.94
80 RRPMRGRSR 0.95
81 YRPFPGRSR 0.95
82 RRSFRGRSR 0.95
83 FRRMPGRSR 0.95
84 FRIMPGRSR 0.96
85 FRMMPGRSR 0.96
86 RRMFRGRSR 0.96
87 RRRFRGRSR 0.96
88 YRPMRGRSR 0.97
89 RRIFRGRSR 0.97
90 YRSFRGRSR 0.97
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FRPMSGRSR

5.92

-12.0

-6.08
2 FRIMNGRSR

6.65

-12.65

-6.0
3 FRRMNGRSR

7.52

-13.24

-5.72
4 FRPMRGRSR

6.8

-12.34

-5.54
5 FRPMNGRSR

6.71

-12.11

-5.4
6 FRMMNGRSR

7.32

-12.36

-5.04
7 FRSMNGRSR

7.39

-12.25

-4.86
8 FRRFNGRSR

7.16

-11.91

-4.75
9 FRSRNGRSR

7.11

-11.58

-4.47
10 FRPFNGRSR

7.64

-11.98

-4.34
11 FRIFNGRSR

7.44

-11.72

-4.28
12 FRPRRGRSR

6.8

-10.96

-4.16
13 FRSFNGRSR

7.96

-12.01

-4.05
14 FRMFNGRSR

7.98

-12.03

-4.05
15 FRPRNGRSR

6.81

-10.83

-4.02
16 FRPRSGRSR

6.67

-10.15

-3.48
17 FRSFRGRSR

7.53

-10.64

-3.11
18 FRRFRGRSR

7.85

-10.9

-3.05
19 RRPFNGRSR

7.58

-10.49

-2.91
20 FRPFPGRSR

8.37

-11.27

-2.9
21 FRMFRGRSR

7.97

-10.73

-2.76
22 FRPFSGRSR

6.44

-9.18

-2.74
23 FRMFSGRSR

5.65

-8.38

-2.73
24 YRPFNGRSR

7.16

-9.35

-2.19
25 FRPFRGRSR

7.17

-9.29

-2.12
26 FRIFSGRSR

5.65

-7.73

-2.08
27 FRIFRGRSR

9.85

-11.63

-1.78
28 FRSFSGRSR

5.36

-6.25

-0.89
29 FRRFSGRSR

8.59

-8.99

-0.4
30 FRPFIGRSR

10.83

-10.12

0.71

 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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