Predicted ligand sequences (modelled structure)


ADAN-name: BEM1-D2_1GCQ-11.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7
poly-Ala
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 3.029 ΔGbinding 1.833
TOTAL
 4.862
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.808
Van der Waals -3.499 Backbone clash 0.003
Electrostatics -0.228 Helix dipole 0.000
Solvation Polar 3.462 Water bridges -0.022
Solvation Hyd -5.392 Disulfide 0.000
VdW clashes 2.796 Electrost. Kon -0.226
Entropy sc 0.717 Part.cov.bonds 0.000
Entropy mc

3.417

 ΔGstability

58.984
       

Predicted ligand sequences for model [BEM1-D2_1GCQ-11.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-11.PDB  

(data)
# Predicted Sequences Value Calculate
1 YRPRHGR 0.0
2 YRRRHGR 0.12
3 YRKRHGR 0.18
4 YRPRHSR 0.27
5 YRFRHGR 0.27
6 YRLRHGR 0.3
7 YRRRHSR 0.39
8 YRPRHPR 0.44
9 YRPRHQR 0.45
10 YRPFHGR 0.45
11 YRKRHSR 0.46
12 YRPRHCR 0.47
13 YRFRHSR 0.55
14 YRRRHPR 0.56
15 YKPRHGR 0.56
16 FRPRHGR 0.56
17 YRRRHQR 0.57
18 YRRFHGR 0.57
19 YRLRHSR 0.58
20 YRRRHCR 0.59
21 YRKRHPR 0.63
22 YRKFHGR 0.64
23 YRKRHQR 0.64
24 YRKRHCR 0.65
25 YKRRHGR 0.67
26 FRRRHGR 0.68
27 YRFRHPR 0.72
28 YRFFHGR 0.72
29 YRPFHSR 0.72
30 YRFRHQR 0.73
31 YKKRHGR 0.74
32 YRFRHCR 0.74
33 YRLRHPR 0.75
34 FRKRHGR 0.75
35 YRLFHGR 0.76
36 YRLRHQR 0.76
37 YRLRHCR 0.77
38 FRPRHSR 0.83
39 YKFRHGR 0.83
40 FRFRHGR 0.83
41 YKPRHSR 0.83
42 YRRFHSR 0.84
43 YKLRHGR 0.86
44 FRLRHGR 0.86
45 YRPFHPR 0.89
46 YRPFHQR 0.9
47 YRKFHSR 0.91
48 YRPFHCR 0.92
49 FRRRHSR 0.95
50 YKRRHSR 0.95
51 YKPRHPR 1.0
52 FRPRHPR 1.0
53 YRFFHSR 1.0
54 YKPRHQR 1.01
55 YKPFHGR 1.01
56 YRRFHPR 1.01
57 FRPFHGR 1.01
58 FRPRHQR 1.01
59 YKKRHSR 1.01
60 YRRFHQR 1.02
61 YKPRHCR 1.02
62 FRKRHSR 1.02
63 FRPRHCR 1.03
64 YRLFHSR 1.03
65 YRRFHCR 1.04
66 YRKFHPR 1.08
67 YRKFHQR 1.09
68 YKFRHSR 1.1
69 YRKFHCR 1.1
70 FRFRHSR 1.11
71 YKRRHPR 1.12
72 FKPRHGR 1.12
73 FRRRHPR 1.12
74 YKRFHGR 1.12
75 YKLRHSR 1.13
76 FRRFHGR 1.13
77 YKRRHQR 1.13
78 FRRRHQR 1.13
79 FRLRHSR 1.14
80 YKRRHCR 1.14
81 FRRRHCR 1.15
82 YRFFHPR 1.17
83 YRFFHQR 1.18
84 YKKRHPR 1.18
85 FRKRHPR 1.19
86 YKKFHGR 1.19
87 YRFFHCR 1.19
88 YKKRHQR 1.19
89 YRLFHPR 1.2
90 FRKRHQR 1.2
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 YRRRHPR

4.27

-7.81

-3.54
2 YRFRHPR

4.31

-7.75

-3.44
3 YKRRHGR

3.91

-7.15

-3.24
4 YRKRHCR

4.36

-7.45

-3.09
5 YRLRHGR

4.97

-7.93

-2.96
6 YRRRHSR

4.77

-7.54

-2.77
7 YRFRHSR

4.7

-7.36

-2.66
8 YRPRHGR

5.09

-7.7

-2.61
9 YRFRHQR

4.39

-6.99

-2.6
10 FRRRHGR

4.54

-7.13

-2.59
11 YRRFHGR

4.13

-6.66

-2.53
12 YRPRHPR

4.25

-6.74

-2.49
13 YRKRHPR

4.21

-6.68

-2.47
14 YRRRHCR

4.33

-6.78

-2.45
15 YRKRHGR

6.11

-8.55

-2.44
16 FRPRHGR

4.81

-7.1

-2.29
17 YKPRHGR

4.71

-6.91

-2.2
18 YRLRHSR

4.85

-6.91

-2.06
19 YRRRHGR

5.28

-7.33

-2.05
20 YRKFHGR

3.92

-5.84

-1.92
21 YRKRHQR

4.98

-6.79

-1.81
22 YRPFHGR

3.93

-5.73

-1.8
23 YRPRHQR

5.41

-7.15

-1.74
24 YRPRHSR

4.48

-6.21

-1.73
25 YRFRHGR

5.63

-7.33

-1.7
26 YRRRHQR

5.18

-6.8

-1.62
27 YRFFHGR

5.04

-6.58

-1.54
28 YRKRHSR

5.56

-6.97

-1.41
29 YRPFHSR

4.02

-5.24

-1.22
30 YRPRHCR

5.19

-6.05

-0.86

 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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