Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_1SSH-14.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
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 1.737 ΔGbinding -1.383
TOTAL
 0.354
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.494
Van der Waals -3.309 Backbone clash 0.036
Electrostatics 0.375 Helix dipole 0.000
Solvation Polar 2.972 Water bridges -0.052
Solvation Hyd -4.890 Disulfide 0.000
VdW clashes 0.066 Electrost. Kon 0.497
Entropy sc 0.540 Part.cov.bonds 0.000
Entropy mc

3.197

 ΔGstability

15.714
       

Predicted ligand sequences for model [LSB3_1SSH-14.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-14.PDB  

(data)
# Predicted Sequences Value Calculate
1 KWFIIRKMR 0.0
2 KWPIIRKMR 0.0
3 RWPIIRKMR 0.02
4 RWFIIRKMR 0.03
5 MWPIIRKMR 0.06
6 MWFIIRKMR 0.07
7 KWYIIRKMR 0.08
8 KWPIIRWMR 0.09
9 KWPIIRIMR 0.1
10 KWMIIRKMR 0.1
11 KWFIIRWMR 0.1
12 RWPIIRWMR 0.11
13 KWPIIRLMR 0.11
14 RWYIIRKMR 0.11
15 KWFIIRIMR 0.11
16 RWMIIRKMR 0.12
17 RWFIIRWMR 0.12
18 KWFIIRLMR 0.12
19 RWPIIRIMR 0.13
20 RWFIIRIMR 0.13
21 RWPIIRLMR 0.14
22 RWFIIRLMR 0.14
23 MWYIIRKMR 0.14
24 MWPIIRWMR 0.15
25 MWFIIRWMR 0.16
26 MWMIIRKMR 0.16
27 MWPIIRIMR 0.16
28 MWFIIRIMR 0.17
29 KWYIIRWMR 0.17
30 MWPIIRLMR 0.17
31 MWFIIRLMR 0.18
32 KWYIIRIMR 0.19
33 KWMIIRWMR 0.19
34 RWYIIRWMR 0.2
35 KWYIIRLMR 0.2
36 KWMIIRIMR 0.2
37 IWPIIRKMR 0.21
38 IWFIIRKMR 0.21
39 RWYIIRIMR 0.21
40 RWMIIRWMR 0.21
41 KWMIIRLMR 0.21
42 RWYIIRLMR 0.22
43 RWMIIRIMR 0.23
44 RWMIIRLMR 0.23
45 MWYIIRWMR 0.23
46 KWPIVRKMR 0.23
47 KWFIVRKMR 0.24
48 MWMIIRWMR 0.25
49 MWYIIRIMR 0.25
50 MWYIIRLMR 0.26
51 KWFILRKMR 0.26
52 RWFIVRKMR 0.26
53 KWPILRKMR 0.26
54 MWMIIRIMR 0.26
55 RWPIVRKMR 0.26
56 KWFIFRKMR 0.27
57 KWPIFRKMR 0.27
58 MWMIIRLMR 0.27
59 RWPILRKMR 0.28
60 RWFILRKMR 0.28
61 IWYIIRKMR 0.29
62 MWPIVRKMR 0.29
63 RWPIFRKMR 0.29
64 MWFIVRKMR 0.3
65 RWFIFRKMR 0.3
66 IWFIIRWMR 0.3
67 IWPIIRWMR 0.3
68 IWMIIRKMR 0.31
69 KWYIVRKMR 0.31
70 IWPIIRIMR 0.31
71 KWPIVRWMR 0.32
72 MWPILRKMR 0.32
73 MWFILRKMR 0.32
74 IWPIIRLMR 0.32
75 IWFIIRIMR 0.32
76 KWFIVRWMR 0.33
77 MWPIFRKMR 0.33
78 KWMIVRKMR 0.33
79 IWFIIRLMR 0.33
80 KWPIVRIMR 0.34
81 KWYILRKMR 0.34
82 KWFIVRIMR 0.34
83 RWYIVRKMR 0.34
84 MWFIFRKMR 0.34
85 KWPIVRLMR 0.34
86 KWFILRWMR 0.35
87 KWFIVRLMR 0.35
88 KWYIFRKMR 0.35
89 RWFIVRWMR 0.35
90 RWPIVRWMR 0.35
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KWPIIRKMR

1.55

-14.59

-13.04
2 RWFIIRWMR

2.02

-15.01

-12.99
3 KWMIIRKMR

2.53

-15.45

-12.92
4 MWFIIRWMR

2.26

-14.65

-12.39
5 KWPIIRLMR

1.63

-13.98

-12.35
6 KWYIIRKMR

2.15

-13.87

-11.72
7 RWPIIRWMR

1.67

-12.94

-11.27
8 RWPIIRKMR

1.61

-12.81

-11.2
9 MWPIIRLMR

2.17

-13.31

-11.14
10 KWPIIRWMR

1.62

-12.62

-11.0
11 MWPIIRWMR

1.39

-12.13

-10.74
12 KWFIIRLMR

2.01

-12.71

-10.7
13 RWYIIRKMR

1.35

-12.01

-10.66
14 KWFIIRWMR

1.82

-12.43

-10.61
15 MWPIIRIMR

1.14

-11.69

-10.55
16 RWMIIRKMR

1.58

-11.96

-10.38
17 RWPIIRLMR

1.66

-11.94

-10.28
18 KWYIIRWMR

1.12

-11.27

-10.15
19 MWPIIRKMR

1.65

-11.74

-10.09
20 MWMIIRKMR

1.97

-11.86

-9.89
21 KWFIIRIMR

2.12

-11.87

-9.75
22 MWFIIRIMR

2.29

-12.0

-9.71
23 RWPIIRIMR

1.43

-11.08

-9.65
24 RWFIIRKMR

1.92

-11.37

-9.45
25 KWFIIRKMR

1.89

-11.02

-9.13
26 KWPIIRIMR

2.12

-11.23

-9.11
27 MWFIIRKMR

1.97

-10.97

-9.0
28 MWYIIRKMR

1.87

-10.85

-8.98
29 RWFIIRIMR

2.17

-10.98

-8.81
30 RWFIIRLMR

2.74

-10.91

-8.17

 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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