Predicted ligand sequences (modelled structure)


ADAN-name: SHO1_1QKX-17.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    

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Intraclash 16.320 ΔGbinding 3.522
TOTAL
 19.842
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.281
Van der Waals -4.849 Backbone clash 0.091
Electrostatics 0.451 Helix dipole 0.000
Solvation Polar 5.321 Water bridges -0.073
Solvation Hyd -6.965 Disulfide 0.000
VdW clashes 6.639 Electrost. Kon 0.354
Entropy sc 0.486 Part.cov.bonds 0.000
Entropy mc

3.151

 ΔGstability

70.827
       

Predicted ligand sequences for model [SHO1_1QKX-17.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).
 
  SHO1_1QKX-17.PDB  

(data)
# Predicted Sequences Value Calculate
1 FEFKWGRGR 0.0
2 FEWKWGRGR 0.01
3 FDFKWGRGR 0.04
4 FEFKFGRGR 0.04
5 FEWKFGRGR 0.05
6 FDWKWGRGR 0.05
7 WEFKWGRGR 0.07
8 FDFKFGRGR 0.07
9 WEWKWGRGR 0.08
10 MEFKWGRGR 0.08
11 MEWKWGRGR 0.09
12 FDWKFGRGR 0.09
13 WEFKFGRGR 0.11
14 MEFKFGRGR 0.11
15 WDFKWGRGR 0.11
16 WDWKWGRGR 0.12
17 FEYKWGRGR 0.12
18 WEWKFGRGR 0.12
19 MDFKWGRGR 0.12
20 MDWKWGRGR 0.13
21 MEWKFGRGR 0.13
22 WDFKFGRGR 0.14
23 WDWKFGRGR 0.15
24 MDFKFGRGR 0.15
25 FDYKWGRGR 0.16
26 FEYKFGRGR 0.16
27 MDWKFGRGR 0.16
28 FELKWGRGR 0.17
29 WEYKWGRGR 0.19
30 MEYKWGRGR 0.2
31 FDLKWGRGR 0.2
32 FELKFGRGR 0.2
33 FDYKFGRGR 0.2
34 WEYKFGRGR 0.23
35 WDYKWGRGR 0.23
36 MEYKFGRGR 0.24
37 MDYKWGRGR 0.24
38 WELKWGRGR 0.24
39 MELKWGRGR 0.24
40 FDLKFGRGR 0.24
41 LEFKWGRGR 0.25
42 LEWKWGRGR 0.26
43 WDYKFGRGR 0.27
44 WELKFGRGR 0.27
45 WDLKWGRGR 0.27
46 MDLKWGRGR 0.28
47 MDYKFGRGR 0.28
48 FERKWGRGR 0.28
49 LEFKFGRGR 0.28
50 LDFKWGRGR 0.28
51 MELKFGRGR 0.28
52 LEWKFGRGR 0.29
53 LDWKWGRGR 0.3
54 WDLKFGRGR 0.31
55 MDLKFGRGR 0.32
56 FERKFGRGR 0.32
57 LDFKFGRGR 0.32
58 FDRKWGRGR 0.32
59 LDWKFGRGR 0.33
60 KEFKWGRGR 0.34
61 WERKWGRGR 0.35
62 KEWKWGRGR 0.35
63 FDRKFGRGR 0.36
64 MERKWGRGR 0.36
65 LEYKWGRGR 0.37
66 KDFKWGRGR 0.38
67 KEFKFGRGR 0.38
68 KDWKWGRGR 0.39
69 KEWKFGRGR 0.39
70 WERKFGRGR 0.39
71 WDRKWGRGR 0.39
72 MERKFGRGR 0.4
73 MDRKWGRGR 0.4
74 KDFKFGRGR 0.41
75 LDYKWGRGR 0.41
76 LELKWGRGR 0.41
77 LEYKFGRGR 0.41
78 KDWKFGRGR 0.43
79 WDRKFGRGR 0.43
80 MDRKFGRGR 0.44
81 LDYKFGRGR 0.45
82 LDLKWGRGR 0.45
83 LELKFGRGR 0.45
84 KEYKWGRGR 0.47
85 LDLKFGRGR 0.49
86 KDYKWGRGR 0.5
87 KEYKFGRGR 0.5
88 KELKWGRGR 0.51
89 LERKWGRGR 0.53
90 KDYKFGRGR 0.54
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FELKWGRGR

7.5

-5.67

1.83
2 MEWKFGRGR

8.48

-6.34

2.14
3 FEWKFGRGR

7.25

-5.06

2.19
4 MEFKWGRGR

8.14

-5.84

2.3
5 FEWKWGRGR

7.52

-5.17

2.35
6 WEYKWGRGR

7.73

-5.23

2.5
7 WEWKWGRGR

8.32

-5.63

2.69
8 FDYKWGRGR

8.67

-5.7

2.97
9 MDWKWGRGR

8.3

-5.19

3.11
10 WDFKWGRGR

8.28

-5.05

3.23
11 MEFKFGRGR

8.16

-4.7

3.46
12 FDWKWGRGR

7.77

-4.27

3.5
13 WEWKFGRGR

9.11

-5.6

3.51
14 MDFKWGRGR

7.49

-3.86

3.63
15 FEFKWGRGR

8.07

-4.31

3.76
16 WEFKWGRGR

8.37

-4.6

3.77
17 FDFKWGRGR

7.84

-3.72

4.12
18 FEFKFGRGR

7.89

-3.72

4.17
19 MEWKWGRGR

8.23

-3.96

4.27
20 FEYKWGRGR

8.36

-4.03

4.33
21 MDWKFGRGR

8.11

-3.59

4.52
22 FEYKFGRGR

8.48

-3.8

4.68
23 MEYKWGRGR

8.84

-4.03

4.81
24 FDFKFGRGR

8.7

-3.74

4.96
25 MDFKFGRGR

7.33

-2.15

5.18
26 FDWKFGRGR

7.62

-2.44

5.18
27 WEFKFGRGR

9.2

-3.81

5.39
28 WDFKFGRGR

8.65

-3.12

5.53
29 WDWKWGRGR

9.15

-3.4

5.75
30 WDWKFGRGR

9.13

-3.18

5.95

 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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