Predicted ligand sequences (modelled structure)


ADAN-name: SHO1_1QCF-7.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala
A
 G A
A
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 8.205 ΔGbinding -3.248
TOTAL
 4.957
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.415
Van der Waals -3.960 Backbone clash 0.000
Electrostatics -0.017 Helix dipole 0.000
Solvation Polar 4.082 Water bridges -0.012
Solvation Hyd -5.304 Disulfide 0.000
VdW clashes 0.670 Electrost. Kon -0.023
Entropy sc 0.560 Part.cov.bonds 0.000
Entropy mc

1.615

 ΔGstability

51.120
       

Predicted ligand sequences for model [SHO1_1QCF-7.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_1QCF-7.PDB  

(data)
# Predicted Sequences Value Calculate
1 MRRPPPKH 0.0
2 MRRPPEKH 0.02
3 MRRPLPKH 0.03
4 MRRPLEKH 0.05
5 MRKPPPKH 0.08
6 MRKPPEKH 0.1
7 MRKPLPKH 0.12
8 MRKPLEKH 0.13
9 MFRPPPKH 0.15
10 MFRPPEKH 0.16
11 MFRPLPKH 0.18
12 MRPPPPKH 0.18
13 MFRPLEKH 0.2
14 MRPPPEKH 0.2
15 MRPPLPKH 0.22
16 MRPPLEKH 0.23
17 MFKPPPKH 0.23
18 WRRPPPKH 0.25
19 MFKPPEKH 0.25
20 MFKPLPKH 0.26
21 WRRPPEKH 0.27
22 MFKPLEKH 0.28
23 WRRPLPKH 0.29
24 WRRPLEKH 0.3
25 MRRPPPKW 0.31
26 MRRPPEKW 0.33
27 MFPPPPKH 0.33
28 WRKPPPKH 0.34
29 MRRPLPKW 0.34
30 MFPPPEKH 0.35
31 WRKPPEKH 0.35
32 MFPPLPKH 0.36
33 MRRPLEKW 0.36
34 WRKPLPKH 0.37
35 MRRPPVKH 0.37
36 MFPPLEKH 0.38
37 MRKPPPKW 0.39
38 WRKPLEKH 0.39
39 MMRPPPKH 0.4
40 WFRPPPKH 0.4
41 MRRPLVKH 0.4
42 MRRPPPKF 0.4
43 MRKPPEKW 0.41
44 MRRPPEKF 0.42
45 MMRPPEKH 0.42
46 MRKPLPKW 0.42
47 WFRPPEKH 0.42
48 MMRPLPKH 0.43
49 MRRPLPKF 0.43
50 WRPPPPKH 0.44
51 MRKPLEKW 0.44
52 WFRPLPKH 0.44
53 WRPPPEKH 0.45
54 WFRPLEKH 0.45
55 MRKPPVKH 0.45
56 MMRPLEKH 0.45
57 MRRPLEKF 0.45
58 MFRPPPKW 0.46
59 WRPPLPKH 0.47
60 MFRPPEKW 0.47
61 MRKPLVKH 0.48
62 WFKPPPKH 0.48
63 MRKPPPKF 0.48
64 MMKPPPKH 0.48
65 MFRPLPKW 0.49
66 MRPPPPKW 0.49
67 WRPPLEKH 0.49
68 WFKPPEKH 0.5
69 MRKPPEKF 0.5
70 MMKPPEKH 0.5
71 MFRPLEKW 0.51
72 MRPPPEKW 0.51
73 WFKPLPKH 0.52
74 MRKPLPKF 0.52
75 MFRPPVKH 0.52
76 MMKPLPKH 0.52
77 MRPPLPKW 0.53
78 MMKPLEKH 0.53
79 WFKPLEKH 0.53
80 MRKPLEKF 0.53
81 MRPPLEKW 0.54
82 MFKPPPKW 0.54
83 MFRPPPKF 0.55
84 MFRPLVKH 0.55
85 MRPPPVKH 0.55
86 MFKPPEKW 0.55
87 WRRPPPKW 0.56
88 MFRPPEKF 0.56
89 MFKPLPKW 0.57
90 WFPPPPKH 0.58
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 MRRPPPKW

4.12

-10.62

-6.5
2 MRRPPEKH

4.88

-10.59

-5.71
3 MRRPLPKW

4.49

-10.11

-5.62
4 MFRPLPKH

4.11

-9.29

-5.18
5 MRRPPEKW

4.64

-9.0

-4.36
6 WRRPLEKH

4.81

-8.5

-3.69
7 MFPPPEKH

7.06

-10.1

-3.04
8 MRKPPPKH

7.88

-10.7

-2.82
9 MFKPPPKH

7.83

-10.23

-2.4
10 MFRPPPKH

8.69

-10.81

-2.12
11 MRRPPPKH

9.38

-11.42

-2.04
12 MFRPPEKH

8.96

-10.97

-2.01
13 WRRPPPKH

8.16

-10.16

-2.0
14 WRKPPPKH

8.17

-9.85

-1.68
15 MFKPLPKH

8.83

-10.27

-1.44
16 MRKPPEKH

8.98

-10.29

-1.31
17 MRPPPPKH

9.29

-10.54

-1.25
18 MRKPLPKH

8.4

-9.63

-1.23
19 MFPPPPKH

8.62

-9.82

-1.2
20 MRRPLPKH

8.81

-10.01

-1.2
21 MFKPPEKH

8.94

-9.76

-0.82
22 MRRPLEKH

9.54

-10.28

-0.74
23 MRPPLPKH

7.86

-8.56

-0.7
24 MRPPPEKH

9.32

-9.66

-0.34
25 WRRPPEKH

9.47

-9.81

-0.34
26 WRRPLPKH

10.01

-9.82

0.19
27 MRKPLEKH

9.5

-9.04

0.46
28 MFKPLEKH

9.22

-8.72

0.5
29 MRPPLEKH

9.47

-8.59

0.88
30 MFRPLEKH

10.84

-9.48

1.36

 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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