Predicted ligand sequences (modelled structure)


ADAN-name: BEM1-D2_1SEM-9.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala
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 4.401 ΔGbinding -1.757
TOTAL
 2.644
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.445
Van der Waals -3.416 Backbone clash 0.109
Electrostatics -0.047 Helix dipole 0.000
Solvation Polar 3.138 Water bridges -0.011
Solvation Hyd -4.958 Disulfide 0.000
VdW clashes 0.414 Electrost. Kon -0.108
Entropy sc 0.539 Part.cov.bonds 0.000
Entropy mc

2.246

 ΔGstability

43.964
       

Predicted ligand sequences for model [BEM1-D2_1SEM-9.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-D2_1SEM-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 YPPRPPFD 0.0
2 YRPRPPFD 0.04
3 YPFRPPFD 0.09
4 YPPRFPFD 0.09
5 YPPRPLFD 0.12
6 YRFRPPFD 0.13
7 YRPRFPFD 0.13
8 YPPRPFFD 0.13
9 YPWRPPFD 0.14
10 YRPRPLFD 0.16
11 YPFRFPFD 0.17
12 YRPRPFFD 0.17
13 YRWRPPFD 0.18
14 YPPRFLFD 0.2
15 YPFRPLFD 0.2
16 YPFRPFFD 0.21
17 YPPRFFFD 0.21
18 YPPRPPFM 0.21
19 YRFRFPFD 0.22
20 YPWRFPFD 0.22
21 YRPRFLFD 0.24
22 YPWRPLFD 0.25
23 YRPRPPFM 0.25
24 YRFRPLFD 0.25
25 YPWRPFFD 0.26
26 YRPRFFFD 0.26
27 YRFRPFFD 0.26
28 YRWRFPFD 0.27
29 YNPRPPFD 0.28
30 YPPRFPFM 0.29
31 YPFRFLFD 0.29
32 YPFRPPFM 0.3
33 YPFRFFFD 0.3
34 YRWRPLFD 0.3
35 YRWRPFFD 0.31
36 YPPRPLFM 0.32
37 YRFRFLFD 0.33
38 YPPRPFFM 0.33
39 YRFRPPFM 0.34
40 YPWRFLFD 0.34
41 YRPRFPFM 0.34
42 YRFRFFFD 0.34
43 YPWRPPFM 0.35
44 YPWRFFFD 0.35
45 YNFRPPFD 0.36
46 YNPRFPFD 0.36
47 YRPRPLFM 0.37
48 YPFRFPFM 0.38
49 YRPRPFFM 0.38
50 YRWRFLFD 0.38
51 YRWRPPFM 0.39
52 YRWRFFFD 0.39
53 YNPRPLFD 0.39
54 YNPRPFFD 0.4
55 YPPRFLFM 0.41
56 YPFRPLFM 0.41
57 YPFRPFFM 0.42
58 YNWRPPFD 0.42
59 YPPRFFFM 0.42
60 YPPRPPMD 0.42
61 YRFRFPFM 0.43
62 YPWRFPFM 0.43
63 RPPRPPFD 0.43
64 YPPRPPFT 0.44
65 YNFRFPFD 0.45
66 YRPRFLFM 0.45
67 YRFRPLFM 0.45
68 YPWRPLFM 0.46
69 YRPRFFFM 0.46
70 YPPRYPFD 0.46
71 YRPRPPMD 0.47
72 YPWRPFFM 0.47
73 RRPRPPFD 0.47
74 YRFRPFFM 0.47
75 YRPRPPFT 0.48
76 YNFRPLFD 0.48
77 YRWRFPFM 0.48
78 YNPRFLFD 0.48
79 YNPRPPFM 0.49
80 YNFRPFFD 0.49
81 YNPRFFFD 0.49
82 YRPRYPFD 0.5
83 YPFRFLFM 0.5
84 YNWRFPFD 0.5
85 RPFRPPFD 0.51
86 RPPRFPFD 0.51
87 YPPRFPMD 0.51
88 YPFRFFFM 0.51
89 YRWRPLFM 0.51
90 YPFRPPMD 0.51
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 YPPRPPFM

1.77

-13.32

-11.55
2 YPPRPPFD

1.86

-12.84

-10.98
3 YRPRPPFM

2.04

-12.95

-10.91
4 YPWRPPFD

2.09

-12.91

-10.82
5 YRPRPPFD

1.89

-12.67

-10.78
6 YPWRPFFD

1.71

-12.3

-10.59
7 YPWRPLFD

1.67

-12.17

-10.5
8 YRFRPFFD

2.14

-12.52

-10.38
9 YPFRPPFD

2.43

-12.66

-10.23
10 YPPRPLFD

1.74

-11.88

-10.14
11 YRFRPPFD

2.2

-12.3

-10.1
12 YRWRPPFD

2.17

-12.24

-10.07
13 YPFRPFFD

1.84

-11.84

-10.0
14 YPPRPFFD

2.14

-12.13

-9.99
15 YRPRPFFD

1.9

-11.67

-9.77
16 YPPRFPFM

1.98

-11.7

-9.72
17 YPPRFLFD

1.85

-11.56

-9.71
18 YRFRPLFD

1.99

-11.7

-9.71
19 YPFRPLFD

1.7

-11.38

-9.68
20 YRPRPLFD

2.01

-11.67

-9.66
21 YPPRFFFD

1.81

-10.9

-9.09
22 YPFRFPFD

2.15

-11.09

-8.94
23 YNPRPPFD

2.67

-11.58

-8.91
24 YRPRFPFD

2.38

-11.26

-8.88
25 YRWRFPFD

2.34

-10.99

-8.65
26 YRFRFPFD

1.99

-10.62

-8.63
27 YRPRFFFD

2.0

-10.5

-8.5
28 YRPRFLFD

2.29

-10.65

-8.36
29 YPPRFPFD

2.49

-10.8

-8.31
30 YPWRFPFD

2.42

-9.94

-7.52

 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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