Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_1OOT-21.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 10
poly-Ala
A
A
A
A
G
G
 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 1.205 ΔGbinding -0.672
TOTAL
 0.533
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.099
Van der Waals -1.382 Backbone clash 0.007
Electrostatics 0.120 Helix dipole 0.000
Solvation Polar 1.446 Water bridges -0.054
Solvation Hyd -2.140 Disulfide 0.000
VdW clashes 0.243 Electrost. Kon 0.151
Entropy sc 0.313 Part.cov.bonds 0.000
Entropy mc

1.807

 ΔGstability

18.878
       

Predicted ligand sequences for model [LSB3_1OOT-21.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_1OOT-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 EMQMGRPRRR 0.0
2 EMIMGRPRRR 0.02
3 EMFMGRPRRR 0.05
4 EWQMGRPRRR 0.24
5 EWIMGRPRRR 0.26
6 EWFMGRPRRR 0.29
7 EMQMGRPRMR 0.33
8 EMQMGRTRRR 0.35
9 EMIMGRPRMR 0.35
10 EMQMHRPRRR 0.37
11 EMIMGRTRRR 0.37
12 EMFMGRPRMR 0.38
13 EMIMHRPRRR 0.39
14 EMQMGRPTRR 0.4
15 EMFMGRTRRR 0.41
16 EMIMGRPTRR 0.41
17 EMFMHRPRRR 0.42
18 EMQMGRERRR 0.43
19 EMIMGRERRR 0.45
20 EMFMGRPTRR 0.45
21 EMFMGRERRR 0.49
22 EWQMGRPRMR 0.57
23 EWIMGRPRMR 0.59
24 EWQMGRTRRR 0.59
25 EWQMHRPRRR 0.6
26 EWIMGRTRRR 0.61
27 EWIMHRPRRR 0.62
28 EWFMGRPRMR 0.62
29 EWQMGRPTRR 0.63
30 EWFMGRTRRR 0.64
31 EWIMGRPTRR 0.65
32 EWFMHRPRRR 0.66
33 EWQMGRERRR 0.67
34 EWFMGRPTRR 0.68
35 EMQMGRTRMR 0.69
36 EWIMGRERRR 0.69
37 EMQMHRPRMR 0.7
38 EMIMGRTRMR 0.71
39 EMQMHRTRRR 0.72
40 EWFMGRERRR 0.72
41 EMIMHRPRMR 0.72
42 EMQMGRPTMR 0.73
43 EMIMHRTRRR 0.74
44 EMFMGRTRMR 0.74
45 EMIMGRPTMR 0.75
46 EMQMGRTTRR 0.75
47 EMFMHRPRMR 0.75
48 EMQMHRPTRR 0.76
49 EMFMHRTRRR 0.77
50 EMQMGRERMR 0.77
51 EMIMGRTTRR 0.77
52 EMIMHRPTRR 0.78
53 EMFMGRPTMR 0.78
54 EMIMGRERMR 0.79
55 EMQMHRERRR 0.8
56 EMFMGRTTRR 0.8
57 EMFMHRPTRR 0.81
58 EMIMHRERRR 0.82
59 EMFMGRERMR 0.82
60 EMQMGRETRR 0.83
61 EMFMHRERRR 0.85
62 EMIMGRETRR 0.85
63 EMFMGRETRR 0.88
64 EWQMGRTRMR 0.92
65 EWQMHRPRMR 0.94
66 EWIMGRTRMR 0.94
67 EWIMHRPRMR 0.95
68 EWQMGRPTMR 0.96
69 EWQMHRTRRR 0.96
70 EWIMGRPTMR 0.98
71 EWIMHRTRRR 0.98
72 EWFMGRTRMR 0.98
73 EWFMHRPRMR 0.99
74 EWQMGRTTRR 0.99
75 EWQMGRERMR 1.0
76 EWQMHRPTRR 1.0
77 EWIMGRTTRR 1.0
78 EWFMHRTRRR 1.01
79 EWFMGRPTMR 1.02
80 EWIMGRERMR 1.02
81 EWIMHRPTRR 1.02
82 EWFMGRTTRR 1.04
83 EWQMHRERRR 1.04
84 EWFMHRPTRR 1.05
85 EMQMHRTRMR 1.05
86 EWFMGRERMR 1.06
87 EWIMHRERRR 1.06
88 EMIMHRTRMR 1.07
89 EWQMGRETRR 1.07
90 EMQMGRTTMR 1.08
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 EMQMGRTRRR

3.43

-12.13

-8.7
2 EWFMGRPRRR

3.25

-11.87

-8.62
3 EWFMGRTRRR

3.85

-12.32

-8.47
4 EMQMGRERRR

3.3

-11.75

-8.45
5 EMFMGRPRRR

3.83

-12.04

-8.21
6 EMIMGRERRR

3.7

-11.63

-7.93
7 EWIMGRPRRR

3.38

-11.19

-7.81
8 EMQMGRPRRR

3.21

-10.95

-7.74
9 EMFMGRERRR

3.29

-10.85

-7.56
10 EMIMGRTRRR

3.44

-10.72

-7.28
11 EMIMGRPRRR

3.07

-10.3

-7.23
12 EWQMGRTRRR

3.2

-10.3

-7.1
13 EMIMGRPRMR

3.04

-9.52

-6.48
14 EWIMGRTRRR

3.73

-10.16

-6.43
15 EWQMHRPRRR

5.5

-11.69

-6.19
16 EMFMGRTRRR

3.54

-9.51

-5.97
17 EWQMGRPTRR

4.75

-10.38

-5.63
18 EMQMHRPRRR

4.58

-10.07

-5.49
19 EMIMHRPRRR

4.86

-10.35

-5.49
20 EMQMGRPTRR

3.96

-9.37

-5.41
21 EWIMHRPRRR

4.76

-10.14

-5.38
22 EMQMGRPRMR

3.12

-8.47

-5.35
23 EMFMHRPRRR

4.51

-9.86

-5.35
24 EWFMGRPRMR

2.88

-8.21

-5.33
25 EWQMGRPRMR

2.88

-8.04

-5.16
26 EWIMGRPRMR

4.3

-9.38

-5.08
27 EWQMGRPRRR

3.35

-8.39

-5.04
28 EMFMGRPRMR

3.45

-8.38

-4.93
29 EMIMGRPTRR

4.01

-8.84

-4.83
30 EMFMGRPTRR

4.62

-9.44

-4.82

 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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