Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_2A08-8.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8
poly-Ala
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 0.364 ΔGbinding -1.252
TOTAL
 -0.888
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.755
Van der Waals -4.029 Backbone clash 0.159
Electrostatics 0.303 Helix dipole 0.000
Solvation Polar 4.507 Water bridges -0.097
Solvation Hyd -5.129 Disulfide 0.000
VdW clashes 0.400 Electrost. Kon 0.388
Entropy sc 0.648 Part.cov.bonds 0.000
Entropy mc

2.277

 ΔGstability

10.101
       

Predicted ligand sequences for model [LSB3_2A08-8.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_2A08-8.PDB  

(data)
# Predicted Sequences Value Calculate
1 ERRYRDPF 0.0
2 DRRYRDPF 0.03
3 ERRFRDPF 0.09
4 ERRYRDWF 0.1
5 FRRYRDPF 0.1
6 DRRFRDPF 0.12
7 RRRYRDPF 0.12
8 DRRYRDWF 0.13
9 ERRYRDFF 0.15
10 HRRYRDPF 0.15
11 DRRYRDFF 0.18
12 ERRFRDWF 0.19
13 FRRFRDPF 0.19
14 FRRYRDWF 0.2
15 RRRFRDPF 0.21
16 RRRYRDWF 0.22
17 DRRFRDWF 0.22
18 HRRYRDWF 0.24
19 HRRFRDPF 0.24
20 ERRFRDFF 0.24
21 FRRYRDFF 0.25
22 RRRYRDFF 0.27
23 DRRFRDFF 0.27
24 FRRFRDWF 0.29
25 HRRYRDFF 0.3
26 ERRYRDHF 0.31
27 RRRFRDWF 0.31
28 ERRYMDPF 0.32
29 HRRFRDWF 0.33
30 FRRFRDFF 0.34
31 DRRYRDHF 0.34
32 DRRYMDPF 0.35
33 RRRFRDFF 0.36
34 ERRYRDRF 0.38
35 HRRFRDFF 0.39
36 ERRFRDHF 0.4
37 DRRYRDRF 0.41
38 ERRFMDPF 0.41
39 FRRYRDHF 0.41
40 ERRYMDWF 0.42
41 FRRYMDPF 0.42
42 DRRFRDHF 0.43
43 RRRYRDHF 0.43
44 RRRYMDPF 0.44
45 DRRFMDPF 0.44
46 DRRYMDWF 0.45
47 HRRYRDHF 0.46
48 HRRYMDPF 0.47
49 ERRFRDRF 0.47
50 ERRYMDFF 0.47
51 FRRYRDRF 0.48
52 FRRFRDHF 0.5
53 DRRYMDFF 0.5
54 DRRFRDRF 0.5
55 RRRYRDRF 0.5
56 ERRFMDWF 0.51
57 FRRFMDPF 0.51
58 RRRFRDHF 0.52
59 FRRYMDWF 0.52
60 RRRFMDPF 0.53
61 HRRYRDRF 0.53
62 RRRYMDWF 0.54
63 DRRFMDWF 0.54
64 HRRFRDHF 0.55
65 HRRYMDWF 0.56
66 ERRFMDFF 0.56
67 HRRFMDPF 0.56
68 FRRYMDFF 0.57
69 FRRFRDRF 0.57
70 RRRYMDFF 0.59
71 DRRFMDFF 0.59
72 RRRFRDRF 0.59
73 FRRFMDWF 0.61
74 HRRYMDFF 0.62
75 HRRFRDRF 0.62
76 RRRFMDWF 0.63
77 ERRYMDHF 0.63
78 HRRFMDWF 0.65
79 DRRYMDHF 0.66
80 FRRFMDFF 0.66
81 RRRFMDFF 0.68
82 ERRYMDRF 0.7
83 HRRFMDFF 0.71
84 ERRFMDHF 0.72
85 DRRYMDRF 0.73
86 FRRYMDHF 0.73
87 DRRFMDHF 0.75
88 RRRYMDHF 0.75
89 HRRYMDHF 0.78
90 ERRFMDRF 0.79
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 HRRFRDWF

2.41

-4.65

-2.24
2 RRRYRDFF

2.32

-3.59

-1.27
3 ERRFRDPF

2.36

-3.55

-1.19
4 RRRFRDPF

2.37

-3.55

-1.18
5 RRRYRDPF

2.12

-3.18

-1.06
6 RRRFRDWF

2.12

-2.55

-0.43
7 FRRYRDPF

2.1

-2.45

-0.35
8 RRRYRDWF

2.26

-2.44

-0.18
9 ERRFRDWF

2.13

-2.29

-0.16
10 DRRYRDWF

2.1

-2.23

-0.13
11 FRRFRDPF

2.14

-2.26

-0.12
12 FRRFRDWF

2.29

-2.39

-0.1
13 HRRYRDFF

2.33

-2.39

-0.06
14 ERRFRDFF

2.18

-2.21

-0.03
15 FRRYRDFF

2.34

-2.36

-0.02
16 HRRYRDWF

2.15

-2.13

0.02
17 FRRFRDFF

2.17

-2.15

0.02
18 HRRYRDPF

2.22

-2.13

0.09
19 DRRYRDPF

2.15

-2.05

0.1
20 ERRYRDHF

2.15

-2.03

0.12
21 DRRFRDFF

2.04

-1.91

0.13
22 ERRYRDPF

2.38

-2.24

0.14
23 FRRYRDWF

2.23

-2.07

0.16
24 DRRFRDPF

2.42

-2.22

0.2
25 HRRFRDPF

2.34

-2.13

0.21
26 DRRFRDWF

2.12

-1.89

0.23
27 ERRYRDWF

2.31

-1.99

0.32
28 ERRYRDFF

2.37

-2.02

0.35
29 DRRYRDFF

2.2

-1.54

0.66
30 ERRYMDPF

2.19

-1.5

0.69

 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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