Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_2A08-21.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 0.752 ΔGbinding -0.601
TOTAL
 0.151
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.119
Van der Waals -1.673 Backbone clash 0.123
Electrostatics 0.049 Helix dipole 0.000
Solvation Polar 1.754 Water bridges -0.073
Solvation Hyd -2.455 Disulfide 0.000
VdW clashes 0.276 Electrost. Kon 0.042
Entropy sc 0.409 Part.cov.bonds 0.000
Entropy mc

2.227

 ΔGstability

16.762
       

Predicted ligand sequences for model [YSC84_2A08-21.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).
 
  YSC84_2A08-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 EWWMGRPTRR 0.0
2 EWQMGRPTRR 0.02
3 EWIMGRPTRR 0.03
4 EMWMGRPTRR 0.14
5 EMQMGRPTRR 0.16
6 EMIMGRPTRR 0.17
7 EWWLGRPTRR 0.31
8 EFWMGRPTRR 0.33
9 EWQLGRPTRR 0.33
10 EWILGRPTRR 0.34
11 EFIMGRPTRR 0.35
12 EFQMGRPTRR 0.35
13 EWWMGRTTRR 0.35
14 EWIMGRTTRR 0.38
15 EWQMGRTTRR 0.38
16 EWWMHRPTRR 0.38
17 EWIMHRPTRR 0.4
18 EWQMHRPTRR 0.4
19 EWWMGRPTRT 0.41
20 EWQMGRPTRT 0.43
21 EWIMGRPTRT 0.44
22 EWWMGRETRR 0.44
23 EWWMGRPKRR 0.45
24 EWQMGRETRR 0.46
25 EMWLGRPTRR 0.46
26 EWIMGRETRR 0.47
27 EWQMGRPKRR 0.47
28 EWIMGRPKRR 0.48
29 EMQLGRPTRR 0.48
30 EMILGRPTRR 0.48
31 EMWMGRTTRR 0.5
32 EMWMHRPTRR 0.52
33 EMQMGRTTRR 0.52
34 EMIMGRTTRR 0.52
35 EMQMHRPTRR 0.54
36 EMIMHRPTRR 0.55
37 EMWMGRPTRT 0.56
38 EMQMGRPTRT 0.58
39 EMIMGRPTRT 0.58
40 EMWMGRETRR 0.58
41 EMWMGRPKRR 0.59
42 EMQMGRETRR 0.6
43 EMQMGRPKRR 0.61
44 EMIMGRETRR 0.61
45 EMIMGRPKRR 0.62
46 EFWLGRPTRR 0.64
47 EFILGRPTRR 0.66
48 EFQLGRPTRR 0.66
49 EWWLGRTTRR 0.67
50 EFWMGRTTRR 0.68
51 EWQLGRTTRR 0.69
52 EWILGRTTRR 0.69
53 EWWLHRPTRR 0.69
54 EFWMHRPTRR 0.7
55 EFQMGRTTRR 0.7
56 EFIMGRTTRR 0.71
57 EWQLHRPTRR 0.71
58 EFQMHRPTRR 0.72
59 EWILHRPTRR 0.72
60 EFIMHRPTRR 0.73
61 EWWMHRTTRR 0.73
62 EWWLGRPTRT 0.73
63 EFWMGRPTRT 0.74
64 EWQMHRTTRR 0.75
65 EWILGRPTRT 0.75
66 EWWLGRETRR 0.75
67 EWQLGRPTRT 0.75
68 EWWLGRPKRR 0.76
69 EFIMGRPTRT 0.76
70 EFQMGRPTRT 0.76
71 EWIMHRTTRR 0.76
72 EFWMGRETRR 0.77
73 EWQLGRETRR 0.77
74 EWWMGRTTRT 0.77
75 EWILGRETRR 0.78
76 EWQLGRPKRR 0.78
77 EFWMGRPKRR 0.78
78 EWIMGRTTRT 0.79
79 EFQMGRETRR 0.79
80 EWQMGRTTRT 0.79
81 EWWMHRPTRT 0.79
82 EWILGRPKRR 0.79
83 EFIMGRETRR 0.79
84 EFIMGRPKRR 0.8
85 EFQMGRPKRR 0.8
86 EMWLGRTTRR 0.81
87 EWWMGRTKRR 0.81
88 EWQMHRPTRT 0.81
89 EWIMHRPTRT 0.82
90 EWWMHRETRR 0.82
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 EMQMGRPTRR

3.28

-9.98

-6.7
2 EFWMGRPTRR

3.24

-8.6

-5.36
3 EFIMGRPTRR

3.86

-9.02

-5.16
4 EMWMGRPTRR

3.22

-8.31

-5.09
5 EMIMGRPTRR

3.89

-8.81

-4.92
6 EFQMGRPTRR

3.3

-7.72

-4.42
7 EWWMGRPTRR

3.35

-7.7

-4.35
8 EMILGRPTRR

3.78

-8.06

-4.28
9 EMWLGRPTRR

3.72

-7.94

-4.22
10 EMQLGRPTRR

3.75

-7.83

-4.08
11 EWIMGRPKRR

3.31

-7.38

-4.07
12 EWIMGRETRR

2.91

-6.93

-4.02
13 EWWMGRTTRR

3.36

-7.26

-3.9
14 EWIMHRPTRR

5.18

-8.85

-3.67
15 EWQMGRPTRR

3.52

-7.16

-3.64
16 EWQMGRPTRT

3.61

-7.19

-3.58
17 EWWMGRPTRT

3.61

-7.16

-3.55
18 EWQMGRETRR

3.65

-7.09

-3.44
19 EWQMGRTTRR

3.54

-6.97

-3.43
20 EWIMGRPTRR

3.77

-7.17

-3.4
21 EWWMGRETRR

3.51

-6.85

-3.34
22 EWIMGRPTRT

3.55

-6.62

-3.07
23 EWIMGRTTRR

3.84

-6.85

-3.01
24 EWQMGRPKRR

3.6

-6.45

-2.85
25 EWILGRPTRR

4.56

-7.37

-2.81
26 EWWLGRPTRR

4.27

-7.06

-2.79
27 EWQLGRPTRR

4.26

-6.89

-2.63
28 EWWMGRPKRR

3.78

-6.4

-2.62
29 EWQMHRPTRR

5.01

-7.53

-2.52
30 EWWMHRPTRR

4.95

-7.1

-2.15

 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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