Predicted ligand sequences (modelled structure)


ADAN-name: SDC25_1OV32-21.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 3.382 ΔGbinding 0.405
TOTAL
 3.787
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.599
Van der Waals -1.986 Backbone clash 0.135
Electrostatics -0.071 Helix dipole 0.000
Solvation Polar 2.579 Water bridges -0.035
Solvation Hyd -2.723 Disulfide 0.000
VdW clashes 0.625 Electrost. Kon -0.096
Entropy sc 0.439 Part.cov.bonds 0.000
Entropy mc

2.348

 ΔGstability

80.267
       

Predicted ligand sequences for model [SDC25_1OV32-21.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).
 
  SDC25_1OV32-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 EEKIGRPELD 0.0
2 EEKIGREELD 0.25
3 EEKIGRPEMD 0.25
4 EEKIQRPELD 0.27
5 EEKIHRPELD 0.28
6 EEKIGRPEED 0.28
7 EEKIGRTELD 0.34
8 EEKIRRPELD 0.35
9 EEKLGRPELD 0.42
10 EEKIGRQELD 0.46
11 EEKIGREEMD 0.5
12 EEKIQRPEMD 0.51
13 EEKIQREELD 0.52
14 EEKIHRPEMD 0.53
15 EEKIGREEED 0.53
16 EEKIHREELD 0.53
17 EEKIQRPEED 0.55
18 EEKIHRPEED 0.56
19 EEKIGRTEMD 0.59
20 EEKIRRPEMD 0.6
21 EEKIRREELD 0.6
22 EEKIQRTELD 0.61
23 EEKIGRTEED 0.62
24 EEKIHRTELD 0.62
25 EEKIRRPEED 0.63
26 EEKLGREELD 0.67
27 EEKLGRPEMD 0.67
28 EEKLQRPELD 0.69
29 EEKIRRTELD 0.7
30 EEKLGRPEED 0.7
31 EEKLHRPELD 0.7
32 EEKIGRQEMD 0.71
33 EEKIQRQELD 0.73
34 EEKIGRQEED 0.74
35 EEKIHRQELD 0.74
36 EEKIQREEMD 0.76
37 EEKLGRTELD 0.76
38 EEKLRRPELD 0.77
39 EEKIHREEMD 0.78
40 EEKIQREEED 0.8
41 EEKIHREEED 0.81
42 EEKIRRQELD 0.81
43 EEKIRREEMD 0.85
44 EEKIQRTEMD 0.86
45 EEKIHRTEMD 0.87
46 EEKLGRQELD 0.88
47 EEKIRREEED 0.88
48 EEKIQRTEED 0.89
49 EEKIHRTEED 0.91
50 EEKLGREEMD 0.92
51 EEKLQRPEMD 0.93
52 EEKIRRTEMD 0.94
53 EEKLQREELD 0.94
54 EEKLHRPEMD 0.95
55 EEKLGREEED 0.95
56 EEKLHREELD 0.96
57 EEKIQRQEMD 0.97
58 EEKLQRPEED 0.97
59 EEKIRRTEED 0.98
60 EEKLHRPEED 0.98
61 EEKIHRQEMD 0.99
62 EEKIQRQEED 1.01
63 EEKLGRTEMD 1.01
64 EEKIHRQEED 1.02
65 EEKLRRPEMD 1.02
66 EEKLRREELD 1.03
67 EEKLQRTELD 1.03
68 EEKLGRTEED 1.04
69 EEKLHRTELD 1.05
70 EEKLRRPEED 1.05
71 EEKIRRQEMD 1.06
72 EEKIRRQEED 1.09
73 EEKLRRTELD 1.12
74 EEKLGRQEMD 1.13
75 EEKLQRQELD 1.15
76 EEKLGRQEED 1.16
77 EEKLHRQELD 1.17
78 EEKLQREEMD 1.19
79 EEKLHREEMD 1.2
80 EEKLQREEED 1.22
81 EEKLRRQELD 1.23
82 EEKLHREEED 1.24
83 EEKLRREEMD 1.27
84 EEKLQRTEMD 1.28
85 EEKLHRTEMD 1.29
86 EEKLRREEED 1.31
87 EEKLQRTEED 1.31
88 EEKLHRTEED 1.33
89 EEKLRRTEMD 1.36
90 EEKLRRTEED 1.4
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 EEKLGRPELD

3.56

-6.6

-3.04
2 EEKIGREELD

4.61

-7.18

-2.57
3 EEKIGREEMD

4.58

-7.06

-2.48
4 EEKLGREELD

3.66

-6.07

-2.41
5 EEKIGRQELD

4.7

-7.1

-2.4
6 EEKLGRPEED

4.19

-6.51

-2.32
7 EEKIGRTELD

5.03

-7.33

-2.3
8 EEKIQREELD

5.38

-7.5

-2.12
9 EEKLGRPEMD

4.0

-5.94

-1.94
10 EEKIQRTELD

5.51

-7.16

-1.65
11 EEKIGREEED

4.12

-5.68

-1.56
12 EEKIRREELD

5.97

-7.34

-1.37
13 EEKIGRTEMD

4.99

-6.12

-1.13
14 EEKIGRPELD

4.63

-5.4

-0.77
15 EEKIQRPEED

5.52

-6.23

-0.71
16 EEKIHRPEMD

5.39

-6.04

-0.65
17 EEKIGRPEMD

4.23

-4.87

-0.64
18 EEKIHRPELD

6.19

-6.78

-0.59
19 EEKIGRTEED

5.89

-6.3

-0.41
20 EEKLQRPELD

5.98

-6.22

-0.24
21 EEKIHRPEED

5.52

-5.4

0.12
22 EEKIQRPEMD

6.03

-5.86

0.17
23 EEKIGRPEED

5.81

-5.49

0.32
24 EEKIRRPEED

6.54

-6.21

0.33
25 EEKIRRPELD

6.21

-5.72

0.49
26 EEKIHRTELD

6.67

-6.04

0.63
27 EEKIHREELD

6.31

-5.06

1.25
28 EEKIRRPEMD

7.47

-5.72

1.75
29 EEKIQRPELD

7.12

-5.16

1.96
30 EEKIRRTELD

8.13

-5.8

2.33

 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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