Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_2A08-19.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    

(Help)

Intraclash 1.595 ΔGbinding 2.058
TOTAL
 3.653
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.198
Van der Waals -5.201 Backbone clash 0.110
Electrostatics 0.409 Helix dipole 0.000
Solvation Polar 5.491 Water bridges 0.021
Solvation Hyd -7.361 Disulfide 0.000
VdW clashes 4.197 Electrost. Kon 0.474
Entropy sc 0.775 Part.cov.bonds 0.000
Entropy mc

4.329

 ΔGstability

17.871
       

Predicted ligand sequences for model [LSB3_2A08-19.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_2A08-19.PDB  

(data)
# Predicted Sequences Value Calculate
1 DPFKDGRRR 0.0
2 DPFRDGRRR 0.01
3 DPYKDGRRR 0.04
4 DPYRDGRRR 0.05
5 DPFMDGRRR 0.07
6 DPIKDGRRR 0.1
7 DPIRDGRRR 0.11
8 DPYMDGRRR 0.11
9 DPIMDGRRR 0.17
10 DMFKDGRRR 0.18
11 DMFRDGRRR 0.19
12 DMYKDGRRR 0.22
13 DPFKFGRRR 0.23
14 DMYRDGRRR 0.24
15 DPFRFGRRR 0.25
16 DMFMDGRRR 0.25
17 DPFKNGRRR 0.28
18 DDFKDGRRR 0.28
19 DMIKDGRRR 0.28
20 DPYKFGRRR 0.28
21 DPYRFGRRR 0.29
22 DPFRNGRRR 0.29
23 DMIRDGRRR 0.29
24 DDFRDGRRR 0.29
25 DMYMDGRRR 0.3
26 DPFMFGRRR 0.3
27 FPFKDGRRR 0.31
28 FPFRDGRRR 0.32
29 DPYKNGRRR 0.32
30 DPYRNGRRR 0.33
31 DDYKDGRRR 0.33
32 DPIKFGRRR 0.33
33 DDYRDGRRR 0.34
34 DPIRFGRRR 0.34
35 DPYMFGRRR 0.35
36 FPYKDGRRR 0.35
37 DPFMNGRRR 0.35
38 DMIMDGRRR 0.35
39 DDFMDGRRR 0.35
40 FPYRDGRRR 0.36
41 DPIKNGRRR 0.37
42 FPFMDGRRR 0.38
43 DDIKDGRRR 0.38
44 DPIRNGRRR 0.39
45 DPYMNGRRR 0.39
46 DDIRDGRRR 0.39
47 FPIKDGRRR 0.4
48 DDYMDGRRR 0.4
49 DPIMFGRRR 0.4
50 FPIRDGRRR 0.41
51 DMFKFGRRR 0.41
52 FPYMDGRRR 0.42
53 DMFRFGRRR 0.43
54 DDIMDGRRR 0.45
55 DPIMNGRRR 0.45
56 DMFKNGRRR 0.46
57 DMYKFGRRR 0.46
58 KPFKDGRRR 0.47
59 DMYRFGRRR 0.47
60 FPIMDGRRR 0.47
61 DMFRNGRRR 0.47
62 KPFRDGRRR 0.48
63 DMFMFGRRR 0.49
64 FMFKDGRRR 0.49
65 DMYKNGRRR 0.5
66 FMFRDGRRR 0.5
67 DMYRNGRRR 0.51
68 KPYKDGRRR 0.51
69 DMIKFGRRR 0.51
70 DMIRFGRRR 0.52
71 DDFKFGRRR 0.52
72 DMFMNGRRR 0.53
73 DDFRFGRRR 0.53
74 KPYRDGRRR 0.53
75 DMYMFGRRR 0.53
76 FMYKDGRRR 0.53
77 FPFKFGRRR 0.54
78 FMYRDGRRR 0.54
79 KPFMDGRRR 0.54
80 FPFRFGRRR 0.55
81 DMIKNGRRR 0.55
82 DDYKFGRRR 0.56
83 KPIKDGRRR 0.56
84 DDFKNGRRR 0.56
85 FMFMDGRRR 0.56
86 DMYMNGRRR 0.57
87 DDFRNGRRR 0.57
88 DMIRNGRRR 0.57
89 DDYRFGRRR 0.57
90 FMIKDGRRR 0.58
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DPYKFGRRR

3.29

-10.08

-6.79
2 DMYRDGRRR

3.54

-9.97

-6.43
3 DDFRDGRRR

3.27

-9.64

-6.37
4 DMIRDGRRR

3.52

-9.77

-6.25
5 DMFKDGRRR

3.11

-8.91

-5.8
6 DMFRDGRRR

3.83

-9.63

-5.8
7 DMYKDGRRR

3.93

-9.66

-5.73
8 DMIKDGRRR

3.43

-9.11

-5.68
9 DPFMDGRRR

2.74

-7.95

-5.21
10 FPFKDGRRR

2.84

-7.9

-5.06
11 DPYKDGRRR

2.72

-7.62

-4.9
12 DMYMDGRRR

2.79

-7.58

-4.79
13 DPFKNGRRR

2.62

-7.37

-4.75
14 FPFRDGRRR

3.15

-7.72

-4.57
15 DMFMDGRRR

2.77

-7.33

-4.56
16 DPFRDGRRR

2.98

-7.52

-4.54
17 DPYMDGRRR

3.46

-7.6

-4.14
18 DPFRNGRRR

3.78

-7.76

-3.98
19 DPFMFGRRR

2.9

-6.78

-3.88
20 DDFKDGRRR

2.91

-6.7

-3.79
21 DPIKDGRRR

2.93

-6.65

-3.72
22 DPFKFGRRR

3.64

-7.26

-3.62
23 DPFRFGRRR

2.87

-6.42

-3.55
24 DPIMDGRRR

2.97

-6.32

-3.35
25 DPYRFGRRR

3.08

-6.38

-3.3
26 DPFKDGRRR

3.13

-6.2

-3.07
27 DPYRDGRRR

3.3

-6.35

-3.05
28 DPIRDGRRR

3.52

-6.56

-3.04
29 DPYKNGRRR

3.54

-5.92

-2.38
30 DPYRNGRRR

2.99

-5.13

-2.14

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER