Predicted ligand sequences (modelled structure)


ADAN-name: PIN3_1ZX6-8.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
A
 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    

(Help)

Intraclash 0.348 ΔGbinding 1.284
TOTAL
 1.632
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.699
Van der Waals -3.745 Backbone clash 0.014
Electrostatics 0.289 Helix dipole 0.000
Solvation Polar 4.356 Water bridges -0.036
Solvation Hyd -4.815 Disulfide 0.000
VdW clashes 2.601 Electrost. Kon 0.341
Entropy sc 0.517 Part.cov.bonds 0.000
Entropy mc

2.352

 ΔGstability

6.781
       

Predicted ligand sequences for model [PIN3_1ZX6-8.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).
 
  PIN3_1ZX6-8.PDB  

(data)
# Predicted Sequences Value Calculate
1 WRPPMGKF 0.0
2 WRRPMGKF 0.01
3 WRPPLGKF 0.06
4 WRRPLGKF 0.06
5 RRRPMGKF 0.07
6 RRPPMGKF 0.07
7 FRPPMGKF 0.08
8 FRRPMGKF 0.09
9 WRRPMFKF 0.11
10 WRPPMFKF 0.11
11 RRPPLGKF 0.12
12 WRPPMGNF 0.12
13 RRRPLGKF 0.13
14 WRRPMGNF 0.13
15 FRPPLGKF 0.14
16 FRRPLGKF 0.14
17 WRPPLFKF 0.16
18 WRRPLFKF 0.17
19 WRPPKGKF 0.17
20 WRPFMGKF 0.17
21 RRPPMFKF 0.17
22 WRRPKGKF 0.17
23 WRRFMGKF 0.18
24 WRRPLGNF 0.18
25 RRRPMFKF 0.18
26 WRPPLGNF 0.18
27 RRPPMGNF 0.19
28 WRPPMGHF 0.19
29 WRRPMGHF 0.19
30 FRPPMFKF 0.19
31 RRRPMGNF 0.2
32 FRRPMFKF 0.2
33 FRRPMGNF 0.21
34 FRPPMGNF 0.21
35 RRPPLFKF 0.23
36 WRRFLGKF 0.23
37 WRPFLGKF 0.23
38 RRRPLFKF 0.23
39 RRPPKGKF 0.23
40 WRPPMFNF 0.23
41 WRPPLGHF 0.24
42 RRPPLGNF 0.24
43 RRRFMGKF 0.24
44 WRRPMFNF 0.24
45 RRRPKGKF 0.24
46 RRPFMGKF 0.24
47 WRPLMGKF 0.24
48 FRPPKGKF 0.25
49 WRRLMGKF 0.25
50 FRRPLFKF 0.25
51 FRPPLFKF 0.25
52 RRPPMGHF 0.25
53 RRRPLGNF 0.25
54 WRRPLGHF 0.25
55 FRRPKGKF 0.26
56 FRPFMGKF 0.26
57 FRPPLGNF 0.26
58 RRRPMGHF 0.26
59 FRRFMGKF 0.26
60 FRPPMGHF 0.27
61 FRRPLGNF 0.27
62 WRPFMFKF 0.28
63 WRRPKFKF 0.28
64 WRPPKFKF 0.28
65 FRRPMGHF 0.28
66 WRRFMFKF 0.29
67 WRRPLFNF 0.29
68 WRPPKGNF 0.29
69 WRPPLFNF 0.29
70 RRPFLGKF 0.29
71 WRPLLGKF 0.3
72 WRRLLGKF 0.3
73 WRPPMFHF 0.3
74 WRRPKGNF 0.3
75 RRRFLGKF 0.3
76 RRPPMFNF 0.3
77 RRRPMFNF 0.3
78 WRRFMGNF 0.3
79 WRRPMFHF 0.3
80 WRPFMGNF 0.3
81 RRPPLGHF 0.31
82 FRPFLGKF 0.31
83 RRRPLGHF 0.31
84 RRPLMGKF 0.31
85 FRRPMFNF 0.32
86 FRPPMFNF 0.32
87 RRRLMGKF 0.32
88 FRRFLGKF 0.32
89 FRRPLGHF 0.33
90 FRRLMGKF 0.33
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WRPPMGKF

1.11

-6.15

-5.04
2 FRPPLGKF

1.08

-5.96

-4.88
3 RRPPMFKF

1.35

-5.99

-4.64
4 RRPPLGKF

1.43

-5.95

-4.52
5 RRPPMGNF

1.15

-5.63

-4.48
6 WRPPMFKF

1.57

-6.05

-4.48
7 WRPFMGKF

1.24

-5.57

-4.33
8 WRPPKGKF

1.1

-5.32

-4.22
9 WRPPMGHF

1.27

-5.36

-4.09
10 WRPPLGNF

1.18

-5.25

-4.07
11 RRPPMGKF

1.25

-5.29

-4.04
12 WRPPLGKF

2.01

-6.04

-4.03
13 FRPPMGKF

1.28

-5.12

-3.84
14 FRPPMFKF

2.09

-5.91

-3.82
15 WRRPMGNF

1.35

-5.16

-3.81
16 WRPPLFKF

1.49

-5.23

-3.74
17 RRRPMFKF

1.76

-5.48

-3.72
18 WRRPMGKF

1.34

-5.04

-3.7
19 WRPPMGNF

1.36

-4.69

-3.33
20 WRRPMGHF

1.31

-4.52

-3.21
21 FRRPLGKF

1.33

-4.39

-3.06
22 WRRFMGKF

2.15

-5.19

-3.04
23 WRRPLGKF

1.98

-5.0

-3.02
24 WRRPKGKF

1.46

-4.4

-2.94
25 RRRPLGKF

1.2

-4.03

-2.83
26 WRRPMFKF

1.75

-4.49

-2.74
27 FRRPMGKF

1.79

-4.32

-2.53
28 RRRPMGKF

1.56

-3.99

-2.43
29 WRRPLFKF

1.66

-3.87

-2.21
30 WRRPLGNF

1.38

-3.38

-2.0

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER