Predicted ligand sequences (modelled structure)


ADAN-name: BEM1-D2_1GCQ-7.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
G
 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 6.789 ΔGbinding 1.387
TOTAL
 8.176
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.410
Van der Waals -3.279 Backbone clash 0.000
Electrostatics 0.521 Helix dipole 0.000
Solvation Polar 3.348 Water bridges -0.135
Solvation Hyd -4.747 Disulfide 0.000
VdW clashes 2.745 Electrost. Kon 0.443
Entropy sc 0.166 Part.cov.bonds 0.000
Entropy mc

1.914

 ΔGstability

61.966
       

Predicted ligand sequences for model [BEM1-D2_1GCQ-7.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_1GCQ-7.PDB  

(data)
# Predicted Sequences Value Calculate
1 WRRRRPWE 0.0
2 WRRKRPWE 0.06
3 WRKRRPWE 0.09
4 WRRRMPWE 0.12
5 WRRRRPWQ 0.13
6 WRKKRPWE 0.15
7 WRRRRKWE 0.15
8 WRRRHPWE 0.17
9 WRRKMPWE 0.18
10 WRRKRPWQ 0.19
11 WRRYRPWE 0.2
12 WRKRMPWE 0.21
13 WRRKRKWE 0.21
14 WRKRRPWQ 0.22
15 WRHRRPWE 0.23
16 WRRKHPWE 0.23
17 WRKRRKWE 0.24
18 WRRRRPWF 0.25
19 WRRRMPWQ 0.25
20 IRRRRPWE 0.26
21 WRKRHPWE 0.26
22 WRKKMPWE 0.27
23 WRRRMKWE 0.27
24 WRKKRPWQ 0.28
25 WRRRRKWQ 0.28
26 WRKYRPWE 0.29
27 WRHKRPWE 0.29
28 WRKKRKWE 0.3
29 WRRRHPWQ 0.3
30 WRRKMPWQ 0.31
31 WRRYRPWQ 0.32
32 WRRKRPWF 0.32
33 WRRYMPWE 0.32
34 WRKKHPWE 0.32
35 WRRRHKWE 0.32
36 IRRKRPWE 0.32
37 WRRKMKWE 0.33
38 WRKRRPWF 0.34
39 WRKRMPWQ 0.34
40 WRRKRKWQ 0.34
41 WRHRMPWE 0.35
42 WRHRRPWQ 0.35
43 WRRYRKWE 0.35
44 IRKRRPWE 0.35
45 WRKRRKWQ 0.36
46 WRKRMKWE 0.36
47 WRRRRYWE 0.36
48 WRRKHPWQ 0.36
49 WRRYHPWE 0.37
50 WRHRRKWE 0.38
51 IRRRRPWQ 0.38
52 WRRKHKWE 0.38
53 IRRRMPWE 0.38
54 WRRRMPWF 0.38
55 WRKRHPWQ 0.39
56 WRKKMPWQ 0.4
57 WRRRRKWF 0.4
58 WRHRHPWE 0.4
59 WRRRMKWQ 0.4
60 WRKRHKWE 0.41
61 WRHKMPWE 0.41
62 WRKKRPWF 0.41
63 WRKYRPWQ 0.41
64 WRKYMPWE 0.41
65 IRRRRKWE 0.41
66 IRKKRPWE 0.41
67 WRRRHPWF 0.42
68 WRRKRYWE 0.42
69 WRKKMKWE 0.42
70 WRHKRPWQ 0.42
71 WRHYRPWE 0.43
72 WRKKRKWQ 0.43
73 IRRRHPWE 0.43
74 KRRRRPWE 0.44
75 IRRKMPWE 0.44
76 WRRRHKWQ 0.44
77 WRRKMPWF 0.44
78 WRKYRKWE 0.44
79 WRHKRKWE 0.44
80 WRRYRPWF 0.45
81 WRKRRYWE 0.45
82 WRRYMPWQ 0.45
83 WRKKHPWQ 0.45
84 IRRKRPWQ 0.45
85 WRKYHPWE 0.46
86 WRKRMPWF 0.46
87 IRRYRPWE 0.46
88 WRRKMKWQ 0.46
89 WRHKHPWE 0.46
90 WRRKRKWF 0.46
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WRRRMKWE

4.55

-9.1

-4.55
2 WRRKMPWQ

4.11

-8.24

-4.13
3 WRRRHPWQ

3.72

-7.6

-3.88
4 WRRRMPWQ

4.11

-7.44

-3.33
5 WRKKRPWE

3.4

-6.6

-3.2
6 IRRRRPWE

4.73

-7.62

-2.89
7 WRKKRPWQ

3.83

-6.64

-2.81
8 WRRKRPWE

4.31

-7.03

-2.72
9 WRRKHPWE

4.1

-6.53

-2.43
10 WRKRRPWE

7.21

-9.53

-2.32
11 WRRKRKWE

4.27

-6.33

-2.06
12 WRKKMPWE

4.47

-6.51

-2.04
13 WRKRHPWE

3.94

-5.83

-1.89
14 WRHKRPWE

3.96

-5.45

-1.49
15 WRKRRPWQ

7.8

-8.95

-1.15
16 WRRRRPWE

7.02

-6.8

0.22
17 WRRKMPWE

7.09

-6.69

0.4
18 WRKYRPWE

6.95

-6.42

0.53
19 WRRYRPWE

6.86

-6.18

0.68
20 WRKRMPWE

6.84

-6.07

0.77
21 WRRRRKWQ

7.09

-6.3

0.79
22 WRHRRPWE

7.07

-6.2

0.87
23 WRRRMPWE

7.32

-6.26

1.06
24 WRRRRPWF

8.07

-6.9

1.17
25 WRKRRKWE

7.39

-6.18

1.21
26 WRRRRPWQ

7.13

-5.9

1.23
27 WRRRRKWE

7.49

-6.23

1.26
28 WRKKRKWE

7.48

-6.13

1.35
29 WRRRHPWE

6.59

-4.92

1.67
30 WRRKRPWQ

8.48

-6.73

1.75

 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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