Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_1SSH-20.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 0.862 ΔGbinding -0.646
TOTAL
 0.216
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.171
Van der Waals -4.163 Backbone clash 0.057
Electrostatics 0.440 Helix dipole 0.000
Solvation Polar 4.133 Water bridges -0.055
Solvation Hyd -5.824 Disulfide 0.000
VdW clashes 1.999 Electrost. Kon 0.484
Entropy sc 1.085 Part.cov.bonds 0.000
Entropy mc

3.634

 ΔGstability

14.460
       

Predicted ligand sequences for model [LSB3_1SSH-20.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).
 
  LSB3_1SSH-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 FKFMRGWSR 0.0
2 FKFMRGFSR 0.02
3 FKPMRGWSR 0.07
4 FKEMRGWSR 0.08
5 FKPMRGFSR 0.09
6 FKEMRGFSR 0.1
7 FKFMRGRSR 0.1
8 FRFMRGWSR 0.11
9 FRFMRGFSR 0.12
10 FKFKRGWSR 0.17
11 FKPMRGRSR 0.17
12 FKEMRGRSR 0.18
13 FRPMRGWSR 0.18
14 FREMRGWSR 0.18
15 FKFKRGFSR 0.19
16 FREMRGFSR 0.2
17 FRPMRGFSR 0.2
18 FRFMRGRSR 0.21
19 FKPKRGWSR 0.24
20 FKEKRGWSR 0.25
21 FKPKRGFSR 0.26
22 FKEKRGFSR 0.27
23 FKFKRGRSR 0.27
24 FRPMRGRSR 0.28
25 FREMRGRSR 0.28
26 FRFKRGWSR 0.28
27 FRFKRGFSR 0.3
28 NKFMRGWSR 0.32
29 NKFMRGFSR 0.34
30 FKPKRGRSR 0.34
31 FKEKRGRSR 0.35
32 FREKRGWSR 0.35
33 FRPKRGWSR 0.35
34 FKFMKGWSR 0.37
35 FREKRGFSR 0.37
36 FRPKRGFSR 0.37
37 FRFKRGRSR 0.38
38 NKPMRGWSR 0.39
39 NKEMRGWSR 0.39
40 FKFMKGFSR 0.39
41 LKFMRGWSR 0.4
42 NKPMRGFSR 0.41
43 NKEMRGFSR 0.41
44 FKFMRGWWR 0.41
45 NKFMRGRSR 0.42
46 LKFMRGFSR 0.42
47 NRFMRGWSR 0.42
48 FKFMRGFWR 0.43
49 FKEMKGWSR 0.44
50 FKPMKGWSR 0.44
51 NRFMRGFSR 0.44
52 FREKRGRSR 0.45
53 FRPKRGRSR 0.45
54 FKPMKGFSR 0.46
55 FKEMKGFSR 0.46
56 FDFMRGWSR 0.46
57 FKFMKGRSR 0.47
58 LKPMRGWSR 0.47
59 FRFMKGWSR 0.47
60 FDFMRGFSR 0.48
61 LKEMRGWSR 0.48
62 FKPMRGWWR 0.48
63 NKPMRGRSR 0.49
64 NKFKRGWSR 0.49
65 FKEMRGWWR 0.49
66 FRFMKGFSR 0.49
67 NKEMRGRSR 0.49
68 NRPMRGWSR 0.49
69 LKPMRGFSR 0.49
70 FKPMRGFWR 0.5
71 LKEMRGFSR 0.5
72 FKFMIGWSR 0.5
73 LKFMRGRSR 0.5
74 NREMRGWSR 0.5
75 NKFKRGFSR 0.51
76 LRFMRGWSR 0.51
77 NRPMRGFSR 0.51
78 FKEMRGFWR 0.51
79 FKFMRGRWR 0.51
80 NREMRGFSR 0.52
81 FKFMIGFSR 0.52
82 FRFMRGWWR 0.52
83 NRFMRGRSR 0.52
84 FDPMRGWSR 0.53
85 FDEMRGWSR 0.53
86 LRFMRGFSR 0.53
87 FRFMRGFWR 0.53
88 FKEMKGRSR 0.54
89 FRPMKGWSR 0.54
90 FKPMKGRSR 0.54
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FKPMRGFSR

2.36

-9.4

-7.04
2 FKPMRGWSR

1.82

-8.75

-6.93
3 FREMRGRSR

2.75

-9.31

-6.56
4 FKEKRGFSR

1.96

-8.46

-6.5
5 FRPMRGRSR

2.16

-8.64

-6.48
6 FKEMRGRSR

2.39

-8.85

-6.46
7 FKEMRGWSR

2.05

-8.42

-6.37
8 FRFMRGWSR

1.69

-8.04

-6.35
9 FREMRGWSR

2.2

-8.52

-6.32
10 FKPKRGRSR

2.17

-8.35

-6.18
11 FREMRGFSR

2.0

-8.17

-6.17
12 FRPMRGWSR

2.26

-8.43

-6.17
13 FKEMRGFSR

2.52

-8.67

-6.15
14 FKFMRGRSR

2.31

-8.42

-6.11
15 FKPMRGRSR

2.02

-7.98

-5.96
16 FRFMRGRSR

2.13

-8.08

-5.95
17 FRPMRGFSR

2.22

-8.06

-5.84
18 FKFMRGFSR

2.31

-7.96

-5.65
19 FKFMRGWSR

1.75

-7.29

-5.54
20 FKPKRGWSR

2.56

-7.85

-5.29
21 NKFMRGFSR

3.0

-8.28

-5.28
22 FKPKRGFSR

2.44

-7.67

-5.23
23 FKFKRGRSR

2.22

-7.33

-5.11
24 NKFMRGWSR

2.0

-6.96

-4.96
25 FKFKRGWSR

1.92

-6.85

-4.93
26 FKEKRGWSR

2.28

-6.92

-4.64
27 FKFKRGFSR

2.04

-6.65

-4.61
28 FRFKRGWSR

2.36

-6.97

-4.61
29 FRFMRGFSR

3.38

-7.65

-4.27
30 FRFKRGFSR

3.25

-6.73

-3.48

 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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