Predicted ligand sequences (modelled structure)


ADAN-name: BEM1-D1_JO8-LCK-17.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 10.228 ΔGbinding -2.257
TOTAL
 7.971
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.274
Van der Waals -4.540 Backbone clash 0.021
Electrostatics -0.258 Helix dipole 0.000
Solvation Polar 5.356 Water bridges -0.039
Solvation Hyd -6.391 Disulfide 0.000
VdW clashes 1.269 Electrost. Kon -0.297
Entropy sc 0.961 Part.cov.bonds 0.000
Entropy mc

3.959

 ΔGstability

53.597
       

Predicted ligand sequences for model [BEM1-D1_JO8-LCK-17.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-LCK-17.PDB  

(data)
# Predicted Sequences Value Calculate
1 YRFMNGRSR 0.0
2 YRFMNGFSR 0.04
3 YRWMNGRSR 0.05
4 YRWMNGFSR 0.1
5 YRKMNGRSR 0.12
6 YRYMNGRSR 0.12
7 YRKMNGFSR 0.16
8 YRYMNGFSR 0.16
9 YRVMNGRSR 0.29
10 YRVMNGFSR 0.33
11 FRFMNGRSR 0.35
12 FRFMNGFSR 0.4
13 YRFRNGRSR 0.41
14 FRWMNGRSR 0.41
15 FRWMNGFSR 0.45
16 YRFRNGFSR 0.46
17 FRYMNGRSR 0.47
18 YRWRNGRSR 0.47
19 FRKMNGRSR 0.47
20 YRWRNGFSR 0.51
21 FRYMNGFSR 0.52
22 FRKMNGFSR 0.52
23 YRYRNGRSR 0.53
24 YRKRNGRSR 0.53
25 YRKRNGFSR 0.58
26 YRYRNGFSR 0.58
27 YPFMNGRSR 0.61
28 FRVMNGRSR 0.64
29 YPFMNGFSR 0.65
30 YPWMNGRSR 0.66
31 FRVMNGFSR 0.69
32 YRVRNGRSR 0.7
33 YPWMNGFSR 0.71
34 YPYMNGRSR 0.73
35 YPKMNGRSR 0.73
36 YRVRNGFSR 0.75
37 YRFKNGRSR 0.76
38 YRFMNGRCR 0.76
39 FRFRNGRSR 0.77
40 YPYMNGFSR 0.77
41 YPKMNGFSR 0.77
42 YRFKNGFSR 0.8
43 YRWKNGRSR 0.81
44 FRFRNGFSR 0.81
45 YRFMNGFCR 0.81
46 FRWRNGRSR 0.82
47 YRWMNGRCR 0.82
48 FRWRNGFSR 0.86
49 YRWKNGFSR 0.86
50 YRWMNGFCR 0.86
51 YRKMNGRCR 0.88
52 YRKKNGRSR 0.88
53 YRYKNGRSR 0.88
54 FRKRNGRSR 0.89
55 FRYRNGRSR 0.89
56 YRYMNGRCR 0.89
57 YPVMNGRSR 0.9
58 YRKKNGFSR 0.92
59 YRKMNGFCR 0.93
60 YRYKNGFSR 0.93
61 YRYMNGFCR 0.93
62 FRYRNGFSR 0.93
63 FRKRNGFSR 0.93
64 YPVMNGFSR 0.94
65 FPFMNGRSR 0.96
66 FPFMNGFSR 1.01
67 FPWMNGRSR 1.02
68 YPFRNGRSR 1.02
69 YRVMNGRCR 1.05
70 YRVKNGRSR 1.05
71 FRVRNGRSR 1.06
72 FPWMNGFSR 1.06
73 YPFRNGFSR 1.07
74 FPKMNGRSR 1.08
75 FPYMNGRSR 1.08
76 YPWRNGRSR 1.08
77 YRVKNGFSR 1.09
78 YRVMNGFCR 1.1
79 FRVRNGFSR 1.1
80 FRFKNGRSR 1.11
81 FRFMNGRCR 1.12
82 YPWRNGFSR 1.12
83 FPKMNGFSR 1.12
84 FPYMNGFSR 1.13
85 YPKRNGRSR 1.14
86 YPYRNGRSR 1.14
87 FRFKNGFSR 1.16
88 FRFMNGFCR 1.16
89 FRWKNGRSR 1.17
90 FRWMNGRCR 1.17
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 YPFMNGRSR

7.09

-9.84

-2.75
2 YPFMNGFSR

7.42

-9.81

-2.39
3 FRKMNGFSR

7.73

-10.11

-2.38
4 FRWMNGRSR

7.31

-9.17

-1.86
5 YRWMNGRSR

8.28

-10.06

-1.78
6 FRKMNGRSR

8.01

-9.6

-1.59
7 FRWMNGFSR

7.16

-8.74

-1.58
8 FRFMNGRSR

7.74

-9.3

-1.56
9 YRKMNGFSR

7.96

-9.22

-1.26
10 YRYMNGFSR

7.41

-8.63

-1.22
11 FRYMNGRSR

7.31

-8.44

-1.13
12 FRYMNGFSR

8.97

-9.94

-0.97
13 YRFRNGRSR

8.41

-9.16

-0.75
14 YRKMNGRSR

7.98

-8.72

-0.74
15 YRFMNGRSR

6.79

-7.45

-0.66
16 YPWMNGRSR

6.94

-7.59

-0.65
17 YRWMNGFSR

7.47

-8.0

-0.53
18 YRFMNGFSR

8.23

-8.58

-0.35
19 YRYMNGRSR

7.96

-8.03

-0.07
20 YRYRNGRSR

7.63

-7.48

0.15
21 YRWRNGFSR

6.47

-5.65

0.82
22 YRVMNGRSR

7.34

-6.51

0.83
23 FRFMNGFSR

6.48

-5.61

0.87
24 YRKRNGRSR

7.3

-6.41

0.89
25 FRVMNGRSR

7.43

-6.5

0.93
26 YRWRNGRSR

7.35

-6.33

1.02
27 YRFRNGFSR

7.7

-6.61

1.09
28 YRVMNGFSR

7.36

-6.2

1.16
29 YRYRNGFSR

6.47

-4.55

1.92
30 YRKRNGFSR

7.98

-5.93

2.05

 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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