Predicted ligand sequences (modelled structure)


ADAN-name: BEM1-D1_JO8-QCF-18.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 10
poly-Ala
A
 A
A
 A
A
 G 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 7.046 ΔGbinding 0.630
TOTAL
 7.676
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.682
Van der Waals -3.625 Backbone clash 1.149
Electrostatics 0.087 Helix dipole 0.000
Solvation Polar 4.109 Water bridges 0.000
Solvation Hyd -4.980 Disulfide 0.000
VdW clashes 1.453 Electrost. Kon 0.068
Entropy sc 0.300 Part.cov.bonds 0.000
Entropy mc

2.537

 ΔGstability

51.691
       

Predicted ligand sequences for model [BEM1-D1_JO8-QCF-18.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-18.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPPLNSMWYD 0.0
2 FPPLNRMWYD 0.0
3 FPFLNRMWYD 0.13
4 FPFLNSMWYD 0.13
5 FPYLNRMWYD 0.15
6 FPYLNSMWYD 0.15
7 FPPLNRWWYD 0.17
8 FPPLNSWWYD 0.17
9 FPPINSMWYD 0.18
10 FPPLNGMWYD 0.19
11 FPPINRMWYD 0.19
12 FFPLNRMWYD 0.23
13 FFPLNSMWYD 0.23
14 FPPLNSMWPD 0.24
15 FPPLNRMWPD 0.24
16 FPPLNRLWYD 0.27
17 FPPLNSLWYD 0.27
18 FPPLNSMLYD 0.28
19 FPPLNRMLYD 0.28
20 FPPLNSMWYS 0.28
21 FPPLNRMWYS 0.28
22 FPFLNSWWYD 0.3
23 FPFLNRWWYD 0.3
24 FPFINRMWYD 0.31
25 FPPLNSMWYT 0.31
26 FPPLNRMWYT 0.31
27 FPFINSMWYD 0.31
28 FPYLNRWWYD 0.32
29 FPFLNGMWYD 0.32
30 FPYLNSWWYD 0.32
31 FPYINSMWYD 0.33
32 FPYLNGMWYD 0.34
33 FPYINRMWYD 0.34
34 FPPINRWWYD 0.35
35 FPPINSWWYD 0.35
36 FFFLNRMWYD 0.35
37 FFFLNSMWYD 0.35
38 FPPLNGWWYD 0.36
39 FPFLNSMWPD 0.37
40 FPPKNSMWYD 0.37
41 FPPINGMWYD 0.37
42 FPPKNRMWYD 0.37
43 FPFLNRMWPD 0.37
44 FFYLNRMWYD 0.38
45 FFYLNSMWYD 0.38
46 FPYLNSMWPD 0.39
47 FFPLNSWWYD 0.39
48 FFPLNRWWYD 0.4
49 FPFLNSLWYD 0.4
50 FPFLNRLWYD 0.4
51 FPYLNRMWPD 0.4
52 FPFLNSMLYD 0.41
53 FFPINSMWYD 0.41
54 FFPINRMWYD 0.41
55 FPFLNRMWYS 0.41
56 FPFLNRMLYD 0.41
57 FLPLNSMWYD 0.41
58 FLPLNRMWYD 0.41
59 FPPLNRWWPD 0.41
60 FPPLNSWWPD 0.41
61 FPFLNSMWYS 0.41
62 FFPLNGMWYD 0.41
63 FPPINSMWPD 0.42
64 FPYLNSLWYD 0.42
65 FPYLNSMLYD 0.43
66 FPPINRMWPD 0.43
67 FPFLNSMWYT 0.43
68 FPYLNSMWYS 0.43
69 FPPLNGMWPD 0.43
70 FPYLNRLWYD 0.43
71 FPFLNRMWYT 0.44
72 FPYLNRMWYS 0.44
73 FPYLNRMLYD 0.44
74 FPPLNSWLYD 0.45
75 FPPLNRWWYS 0.45
76 FPPLNRWLYD 0.45
77 FPPLNSMFYD 0.45
78 FPPLNSWWYS 0.45
79 FPPLNRMFYD 0.45
80 FPPINSLWYD 0.45
81 FPPINSMLYD 0.46
82 FPPLNGLWYD 0.46
83 FPYLNRMWYT 0.46
84 FPYLNSMWYT 0.46
85 FPPINRLWYD 0.46
86 FPPINSMWYS 0.46
87 FFPLNRMWPD 0.47
88 FPPLNGMLYD 0.47
89 FPPLNGMWYS 0.47
90 FPPINRMLYD 0.47
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FPYLNRMWYD

4.71

-8.37

-3.66
2 FPPLNRMLYD

6.15

-8.79

-2.64
3 FPFLNGMWYD

3.83

-6.3

-2.47
4 FPPLNRMWYS

4.98

-7.24

-2.26
5 FPYLNSWWYD

4.79

-7.02

-2.23
6 FPPLNGMWYD

4.07

-6.2

-2.13
7 FPPLNRMWPD

5.81

-7.91

-2.1
8 FPPLNRLWYD

5.02

-7.06

-2.04
9 FPPLNSMLYD

6.08

-8.1

-2.02
10 FPPLNRMWYT

4.35

-6.33

-1.98
11 FPPLNSMWYT

4.66

-6.56

-1.9
12 FPFLNSMWYD

4.94

-6.74

-1.8
13 FPYLNRWWYD

5.42

-6.82

-1.4
14 FPFLNRMWYD

5.91

-7.25

-1.34
15 FPPLNSMWPD

5.59

-6.91

-1.32
16 FPFINSMWYD

5.21

-6.39

-1.18
17 FPPLNRMWYD

5.9

-7.04

-1.14
18 FPPLNRWWYD

6.1

-7.17

-1.07
19 FPPINSMWYD

5.86

-6.85

-0.99
20 FPFLNSWWYD

5.44

-6.32

-0.88
21 FPPINRMWYD

5.11

-5.97

-0.86
22 FPPLNSMWYD

6.32

-6.77

-0.45
23 FPYLNSMWYD

5.86

-6.09

-0.23
24 FFPLNRMWYD

5.87

-6.09

-0.22
25 FPPLNSLWYD

6.24

-6.43

-0.19
26 FPPLNSMWYS

6.16

-6.31

-0.15
27 FPFINRMWYD

5.37

-5.41

-0.04
28 FPPLNSWWYD

6.23

-6.01

0.22
29 FFPLNSMWYD

5.79

-5.45

0.34
30 FPFLNRWWYD

7.76

-5.93

1.83

 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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