Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_1SSH-15.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 0.573 ΔGbinding 0.354
TOTAL
 0.927
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.329
Van der Waals -2.986 Backbone clash 0.066
Electrostatics 0.378 Helix dipole 0.000
Solvation Polar 2.880 Water bridges -0.037
Solvation Hyd -4.258 Disulfide 0.000
VdW clashes 1.936 Electrost. Kon 0.505
Entropy sc 0.447 Part.cov.bonds 0.000
Entropy mc

2.434

 ΔGstability

16.753
       

Predicted ligand sequences for model [LSB3_1SSH-15.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-15.PDB  

(data)
# Predicted Sequences Value Calculate
1 RDWIIRKMR 0.0
2 RDFIIRKMR 0.01
3 REWIIRKMR 0.03
4 RDWIIRLMR 0.04
5 RDWIIRRMR 0.04
6 REFIIRKMR 0.04
7 RDFIIRRMR 0.05
8 RDFIIRLMR 0.05
9 REWIIRRMR 0.06
10 REWIIRLMR 0.06
11 RDWIIRKIR 0.07
12 REFIIRRMR 0.07
13 REFIIRLMR 0.08
14 RDFIIRKIR 0.08
15 FDWIIRKMR 0.08
16 REWIIRKIR 0.09
17 FDFIIRKMR 0.09
18 RDWIIRLIR 0.1
19 RDWIIRRIR 0.1
20 REFIIRKIR 0.1
21 RPWIIRKMR 0.1
22 FEWIIRKMR 0.1
23 RPFIIRKMR 0.11
24 FEFIIRKMR 0.11
25 RDFIIRRIR 0.11
26 FDWIIRLMR 0.11
27 RDYIIRKMR 0.11
28 FDWIIRRMR 0.11
29 RDFIIRLIR 0.12
30 FDFIIRRMR 0.12
31 REWIIRRIR 0.13
32 RDWRIRKMR 0.13
33 FDFIIRLMR 0.13
34 REWIIRLIR 0.13
35 FEWIIRRMR 0.14
36 REFIIRLIR 0.14
37 FDWIIRKIR 0.14
38 REFIIRRIR 0.14
39 REYIIRKMR 0.14
40 FEWIIRLMR 0.14
41 RPWIIRRMR 0.14
42 RPWIIRLMR 0.14
43 RDFRIRKMR 0.14
44 RDYIIRLMR 0.15
45 RDYIIRRMR 0.15
46 FDFIIRKIR 0.15
47 FEFIIRRMR 0.15
48 RPFIIRRMR 0.15
49 RPFIIRLMR 0.15
50 FEFIIRLMR 0.15
51 RPWIIRKIR 0.16
52 REWRIRKMR 0.16
53 FPWIIRKMR 0.17
54 RDWRIRRMR 0.17
55 FEWIIRKIR 0.17
56 REFRIRKMR 0.17
57 RDWRIRLMR 0.17
58 RDYIIRKIR 0.18
59 RDFRIRLMR 0.18
60 REYIIRRMR 0.18
61 RDFRIRRMR 0.18
62 FDWIIRRIR 0.18
63 REYIIRLMR 0.18
64 FDWIIRLIR 0.18
65 RPFIIRKIR 0.18
66 RDWIKRKMR 0.18
67 FEFIIRKIR 0.18
68 FDFIIRLIR 0.19
69 FPFIIRKMR 0.19
70 REWRIRRMR 0.19
71 FDFIIRRIR 0.19
72 RDFIKRKMR 0.19
73 FDYIIRKMR 0.19
74 RPWIIRLIR 0.2
75 RDWRIRKIR 0.2
76 REWRIRLMR 0.2
77 RPWIIRRIR 0.2
78 REWIKRKMR 0.2
79 FEWIIRRIR 0.2
80 FEWIIRLIR 0.2
81 FDWRIRKMR 0.21
82 FPWIIRLMR 0.21
83 REFRIRRMR 0.21
84 RPYIIRKMR 0.21
85 REFRIRLMR 0.21
86 RDFRIRKIR 0.21
87 REYIIRKIR 0.21
88 FPWIIRRMR 0.21
89 RDWIKRRMR 0.21
90 RPFIIRRIR 0.21
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FDFIIRRMR

1.11

-10.88

-9.77
2 RDWIIRLIR

2.03

-11.65

-9.62
3 FDWIIRRMR

1.74

-11.22

-9.48
4 FDFIIRKMR

1.2

-10.23

-9.03
5 RDFIIRRMR

1.21

-10.2

-8.99
6 RDFIIRLIR

1.23

-10.19

-8.96
7 RPWIIRKMR

1.1

-10.02

-8.92
8 RDYIIRKMR

1.21

-10.1

-8.89
9 FEFIIRKMR

1.0

-9.85

-8.85
10 RDFIIRRIR

1.32

-9.91

-8.59
11 RDFIIRKIR

1.09

-9.55

-8.46
12 REFIIRKMR

1.46

-9.88

-8.42
13 RDWIIRKIR

1.85

-10.13

-8.28
14 FDWIIRLMR

2.07

-10.32

-8.25
15 FDWIIRKMR

1.75

-9.97

-8.22
16 RDFIIRLMR

2.03

-10.21

-8.18
17 RPFIIRKMR

1.66

-9.83

-8.17
18 RDWIIRRIR

2.18

-10.31

-8.13
19 RDFIIRKMR

1.36

-9.45

-8.09
20 RDWIIRRMR

1.97

-10.02

-8.05
21 REFIIRLMR

1.2

-9.23

-8.03
22 RDWIIRLMR

1.96

-9.92

-7.96
23 REWIIRKMR

1.66

-9.48

-7.82
24 RDWIIRKMR

1.77

-9.25

-7.48
25 REWIIRLMR

1.78

-9.25

-7.47
26 REFIIRRMR

2.06

-9.48

-7.42
27 REFIIRKIR

1.93

-9.2

-7.27
28 FEWIIRKMR

1.79

-8.96

-7.17
29 REWIIRRMR

1.94

-9.11

-7.17
30 REWIIRKIR

1.94

-8.83

-6.89

 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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