Predicted ligand sequences


ADAN-name: 1N5Z2.PDB (view again the scoring matrix)

PDB name: [1N5Z.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT M P P T L P H R D W
position 1 2 3 4 5 6 7 8 9 10
poly-Ala
A
 A
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 6.216 ΔGbinding -16.890
TOTAL
 -10.674
Backbone Hb -1.170 Cis_bond 0.000
Sidechain Hb -3.760 Torsional clash 0.260
Van der Waals -9.700 Backbone clash 0.470
Electrostatics -2.230 Helix dipole 0.000
Solvation Polar 7.840 Water bridges -0.570
Solvation Hyd -13.030 Disulfide 0.000
VdW clashes 0.260 Electrost. Kon -1.050
Entropy sc 4.720 Part.cov.bonds 0.000
Entropy mc

1.550

 ΔGstability

2.550
       

Predicted ligand sequences for template [1N5Z2.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).
 
  1N5Z2.PDB  

(data)
# Predicted Sequences Value Calculate
1 WMPRRPRRGW 0.0
2 WMPRRPRRYW 0.0
3 WMPRRPRRNW 0.01
4 WMPRRPHRGW 0.04
5 WMPRRPHRYW 0.04
6 WMPRRPHRNW 0.05
7 WMPKRPRRGW 0.09
8 WMPKRPRRYW 0.09
9 WMPKRPRRNW 0.1
10 WMPRRPKRYW 0.11
11 WMPRRPKRGW 0.11
12 WMPRRPKRNW 0.12
13 FMPRRPRRYW 0.12
14 MMPRRPRRYW 0.12
15 FMPRRPRRGW 0.12
16 MMPRRPRRGW 0.12
17 WMPQRPRRGW 0.13
18 MMPRRPRRNW 0.13
19 FMPRRPRRNW 0.13
20 WMPQRPRRYW 0.13
21 WMPKRPHRGW 0.13
22 WMPKRPHRYW 0.13
23 WMPQRPRRNW 0.14
24 WMPKRPHRNW 0.14
25 MMPRRPHRYW 0.16
26 FMPRRPHRYW 0.16
27 MMPRRPHRGW 0.16
28 FMPRRPHRGW 0.16
29 FMPRRPHRNW 0.17
30 WMPRRQRRYW 0.17
31 WMPQRPHRGW 0.17
32 WMPQRPHRYW 0.17
33 WMPRRQRRGW 0.17
34 MMPRRPHRNW 0.17
35 WMPQRPHRNW 0.18
36 WMPRRQRRNW 0.18
37 WMPKRPKRYW 0.2
38 WMPKRPKRGW 0.2
39 MMPKRPRRGW 0.2
40 MMPKRPRRYW 0.2
41 WLPRRPRRYW 0.21
42 MMPKRPRRNW 0.21
43 WMPRRQHRYW 0.21
44 WMPKRPKRNW 0.21
45 WMPRRQHRGW 0.21
46 FMPKRPRRGW 0.21
47 WLPRRPRRGW 0.21
48 FMPKRPRRYW 0.21
49 FMPKRPRRNW 0.22
50 WMPRRQHRNW 0.22
51 WLPRRPRRNW 0.22
52 MMPRRPKRGW 0.23
53 MMPRRPKRYW 0.23
54 FMPRRPKRGW 0.23
55 FMPRRPKRYW 0.23
56 FMPRRPKRNW 0.24
57 MMPQRPRRGW 0.24
58 MMPQRPRRYW 0.24
59 WMPQRPKRYW 0.24
60 WMPQRPKRGW 0.24
61 MMPKRPHRGW 0.24
62 MMPRRPKRNW 0.24
63 MMPKRPHRYW 0.24
64 FMPKRPHRGW 0.25
65 FMPQRPRRGW 0.25
66 MMPQRPRRNW 0.25
67 MMPKRPHRNW 0.25
68 WLPRRPHRGW 0.25
69 WMPQRPKRNW 0.25
70 FMPKRPHRYW 0.25
71 WLPRRPHRYW 0.25
72 FMPQRPRRYW 0.25
73 WLPRRPHRNW 0.26
74 WMPKRQRRYW 0.26
75 FMPKRPHRNW 0.26
76 FMPQRPRRNW 0.26
77 WMPKRQRRGW 0.26
78 WMPKRQRRNW 0.27
79 MMPQRPHRYW 0.28
80 MMPQRPHRGW 0.28
81 WMPRRQKRGW 0.28
82 FMPQRPHRYW 0.28
83 FMPQRPHRGW 0.28
84 WMPRRQKRYW 0.28
85 MMPRRQRRGW 0.29
86 FMPRRQRRGW 0.29
87 FMPRRQRRYW 0.29
88 WMPRRQKRNW 0.29
89 MMPRRQRRYW 0.29
90 MMPQRPHRNW 0.29
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WMPRRPHRNW

3.56

-21.31

-17.75
2 WMPRRPRRGW

3.63

-20.56

-16.93
3 WMPRRPHRYW

4.2

-20.71

-16.51
4 WMPQRPRRGW

3.44

-19.62

-16.18
5 MMPRRPRRGW

3.41

-19.5

-16.09
6 WMPKRPHRYW

4.29

-20.19

-15.9
7 MMPRRPHRGW

3.77

-19.66

-15.89
8 WMPKRPRRGW

3.52

-19.4

-15.88
9 MMPRRPRRNW

4.55

-20.42

-15.87
10 FMPRRPRRNW

4.74

-20.59

-15.85
11 WMPKRPRRNW

4.16

-19.82

-15.66
12 WMPKRPRRYW

4.65

-20.17

-15.52
13 WMPRRPRRNW

4.46

-19.93

-15.47
14 FMPRRPRRYW

4.91

-20.33

-15.42
15 WMPRRPKRGW

3.38

-18.79

-15.41
16 FMPRRPHRYW

3.99

-19.3

-15.31
17 FMPRRPHRGW

3.84

-19.15

-15.31
18 WMPRRPKRNW

4.84

-20.14

-15.3
19 WMPKRPHRNW

3.35

-18.5

-15.15
20 WMPQRPRRYW

5.08

-19.93

-14.85
21 WMPRRPRRYW

3.94

-18.76

-14.82
22 FMPRRPRRGW

4.02

-18.64

-14.62
23 WMPKRPHRGW

3.98

-18.58

-14.6
24 FMPRRPHRNW

3.43

-17.75

-14.32
25 WMPRRPHRGW

4.11

-18.1

-13.99
26 WMPRRPKRYW

4.63

-18.57

-13.94
27 MMPRRPHRYW

3.9

-17.83

-13.93
28 WMPRRQRRYW

4.5

-18.07

-13.57
29 WMPQRPRRNW

4.09

-17.32

-13.23
30 MMPRRPRRYW

4.69

-16.84

-12.15

 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.

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