@TOME V2.2
(Nov 2016)
Ref.
-
Doc.
Global output mode :
Sort entries by :
Atome Result
Tools Result
PDB occurence
Core Structure Cluster
Sequence Color type :
Secondary Structure
Hydrophobicity
Disulfide Bonds
TCoffee Identity Score
Uniprot annotation
Core Structure Cluster
Contacts with Ligands
Show alignment :
Atome selection
All alignments
Only Template with Ligand
Column output:
Score:
Atome Rank Value
Tools Score
Hide column
Alignment:
Sequence Identity (%)
Tcoffee Alignment Score
Hide column
3D Common Core:
Tito PKB Score
Verify3D Score
QMean Score
Hide column
Structural Clustering:
Cluster Num
3D-Jury Struct. Score
Hide column
Modeller Result :
Model Rank
QMean Score
Dfire Score
Dope Score
Errat Score
Verify3D Score
Modeller Score
Hide column
Complexes Modeling
Show Ligands of Templates
Complexes Affinity Score
Main Binding Site Identity
Hide column
Templates Information:
Uniprot entry
Cath class
Scop class
Smart class
Prosite class
Pfam class
EC Number
Taxonomy
Experiment Method
Hide column
Sequence & Result Tab:
PDB Template Sequence
Complexes Tab
Values color: [
Good
|
Correct
|
Middling
|
Bad
]
Sequence color :
Mutated
Helix
Strand
Conserved
Query sequence : S22A5_HUMAN: (2015-12-09 )
MRDYDEVTAFLGEWGPFQRLIFFLLSASIIPNGFTGLSSVFLIATPEHRCRVPDAANLSSAWRNHTVPLRLRDGREVPHSCRRYRLATIANFSALGLEPGRDVDLGQLEQESCLDGWEFSQDVYLSTIVTEWNLVCEDDWKAPLTISLFFVGVLLGSFISGQLSDRFGRKNVLFVTMGMQTGFSFLQIFSKNFEMFVVLFVLVGMGQISNYVAAFVLGTEILGKSVRIIFSTLGVCIFYAFGYMVLPLFAYFIRDWRMLLVALTMPGVLCVALWWFIPESPRWLISQGRFEEAEVIIRKAAKANGIVVPSTIFDPSELQDLSSKKQQSHNILDLLRTWNIRMVTIMSIMLWMTISVGYFGLSLDTPNLHGDIFVNCFLSAMVEVPAYVLAWLLLQYLPRRYSMATALFLGGSVLLFMQLVPPDLYYLATVLVMVGKFGVTAAFSMVYVYTAELYPTVVRNMGVGVSSTASRLGSILSPYFVYLGAYDRFLPYILMGSLTILTAILTLFLPESFGTPLPDTIDQMLRVKGMKHRKTPSHTRMLKDGQERPTILKSTAF
Atome Classification :
(20 SA)
--.........10........20........30........40........50........60........70........80......-..90........100....-...110......-----.120.......130......-----.---------140.....---..150--------------.........160.......170----.------........----180.-.....--.190---.....------------..--..200..------.--.-----...210.......220..--.....-----230---.-------......240....----...250.-----..-----------.----....260......---.270.......280.-......290.......300.......310.......320..--.....330.........340-----..--------......350---...------.....360.-......370-....---...380.......390....----------...400-----.........410.......420-........-.430.......440..-----.....--450..-----------.....460.......470.-----------..-.-....480-----------.....-...490----------------........500.....-.-.510.......520.....--..530.......540.......550.....-------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
--MR
D
Y
D
E
V
T
A
F
L
GEWG
P
F
Q
R
L
I
F
F
L
L
S
A
S
IIPNGFTGL
S
S
V
F
L
I
AT
P
E
HRCRVPDAA
N
L
S
S
A
WRNH
T
V
P
L
R
LRDGREV
P
H
S
C
R
R
Y
R
L
A
-
T
IAN
F
S
ALGLEPGRDV
D
L
G
-
Q
L
E
Q
E
SCLDGWE-----FS
Q
D
V
Y
L
S
T
I
V
TE
W
N
L
V
CED-----D---------WKA
P
L
T
I
S
---
L
F
F
----------------
V
G
V
L
L
G
S
F
I
S
G
Q
L
S
D
RFGR
K
------
N
------
V
L
F
V
T
M
G
M
----
Q
T
G
F
-
S
F
L
Q
I
--
F
S
-----KN
F
E
M
------------
F
V
--
V
L
F
V
L
V
G
------
M
--
G
-----
Q
I
S
N
Y
V
A
A
F
V
L
G
T
E
I
L
G
K
--
S
V
R
I
I
-----
F
S
T
---
L
-------
G
V
C
I
F
Y
A
F
G
Y
M
V
L
----
P
L
F
A
Y
-
F
-----
I
R
-----------
D
----
W
R
M
L
L
V
A
LTM
P
G
V
---
L
C
V
A
L
W
W
FIPESP
R
W
-
L
I
SQGR
F
E
E
A
E
V
I
I
R
K
AAKAN
G
I
V
V
PSTIF
D
P
S
E
L
Q
D
L
S
S
K
--
K
Q
Q
S
H
N
--
I
L
D
L
L
R
TWNI
R
------
M
V
--------
T
I
M
S
I
M
L
W
----
M
T
I
------
S
V
G
Y
F
G
L
SL-DTPNL
H
G
D
I
-
F
V
N
C
---
F
L
S
A
M
V
E
V
P
A
Y
V
L
A
W
L
L
L
Q
Y
----------
L
P
R
R
-------
Y
S
M
A
T
A
L
F
LGG
S
V
L
L
F
M
QLV---P
P
D
L
Y
Y
L
A
-
T
V
L
V
M
V
GK
F
G
V
T
A
A
F
S
-----
M
V
Y
V
Y
--
T
A
E
L
Y
-----------
P
T
V
V
R
NMGVG
V
S
S
T
A
S
-
R
L
-----------
G
S
-
I
-
L
S
P
Y
F
V
------------
Y
LG
A
Y
-
D
R
F
L
P
-----------------
Y
I
L
M
G
S
L
T
I
L
T
A
I
L
T
L
-
F
-
L
P
E
SFGTPL
P
D
T
I
D
Q
M
L
R
V
--KGMKHRKTP
S
H
T
R
M
L
KDGQERP
T
I
LKSTAF-------
41
Fugue
78.93
16%
-119
- C1 -
4QEI
1
SYG_HUMAN
A:
[1-617]
--
I
V
D
R
A
K
M
G
D
T
L
K
R
-------
R
F
F
Y
D
Q
A
F
A
I
Y
G
G
V
S
G
L
Y
D
F
-------
G
P
V
G
C
A
L
K
N
N
I
I
Q
T
W
R
Q
H
F
I
Q
E
E
Q
I
L
E
I
D
C
T
M
L
T
P
E
P
V
L
K
-
T
S
G
H
V
D
K
F
A
D
F
M
V
K
D
V
K
N
G
E
R
F
R
A
D
H
L
L
K
A
H
L
-----
Q
K
L
Q
Q
E
L
A
D
L
F
V
N
F
N
L
M
F
K
T
-----
F
I
G
PGGN
M
P
G
Y
L
R
P
E
T
A
Q
---
G
I
F
L
N
F
K
R
L
L
E
F
N
QGKLP
F
A
A
A
Q
I
G
N
S
F
R
N
E
I
S
P
R
S
G
L
I
------
R
------
V
R
E
F
T
M
A
E
----
I
E
H
F
V
D
P
S
E
K
--
D
H
-----
P
K
F
Q
N
------------
V
A
D
L
H
L
Y
L
Y
S
A
------
K
--
A
-----
Q
V
S
G
Q
S
A
R
K
M
R
L
G
D
A
V
E
Q
--
G
V
-
I
N
-----
N
T
V
---
L
-------
G
Y
F
I
G
R
I
Y
L
Y
L
T
K
V
GIS
P
D
K
L
R
-
F
-----
R
Q
-----------
H
----
M
E
D
C
W
D
A
E
S
K
T
S
Y
---
G
W
I
E
I
V
G
C
A
D
R
S
C
Y
D
-
L
S
C
H
A
R
A
T
K
V
P
L
V
A
E
K
P
L
K
E
P
-
K
T
V
N
V
V
Q
F
E
P
S
K
G
A
I
G
K
A
Y
--
K
K
D
A
K
L
--
V
M
E
Y
L
A
I
C
D
E
C
------
Y
I
--------
T
E
M
E
M
L
L
N
E
K
G
E
F
T
I
------
E
T
Q
L
T
K
D
M
I
-
N
V
K
R
F
Q
K
T
L
-
Y
V
E
E
---
V
V
P
N
V
I
E
-
P
S
F
G
L
G
R
I
M
Y
T
V
----------
F
E
H
T
-------
F
H
V
R
E
----
G
D
E
Q
R
T
F
F
S
F
P
---
A
V
V
A
P
F
K
C
-
S
V
L
P
L
S
Q
N
---
Q
E
F
M
P
-----
F
V
K
E
L
--
S
E
A
L
T
R
H
G
V
-------
S
H
K
V
D
D
S
S
G
S
I
G
R
R
Y
A
-
R
T
-----------
D
E
-
I
-
G
V
A
F
G
V
------------
T
I
D
-
F
-
D
T
V
N
K
-----------------
T
P
H
T
A
T
L
R
D
R
D
S
M
R
Q
I
-
R
-
A
E
I
S
---
E
L
P
S
I
V
Q
D
L
A
----
N
G
N
I
T
W
A
D
V
E
A
R
Y
P
L
F
E
G
Q
E
T
G
K
K
-------------
6
PsiBlast_PDB
77.54
23%
-114
- C3 -
4PYP
1
GTR1_HUMAN
A:
[51-455]
-------------------------------------------------------------------------------------------------------------------------
R
-----
Y
G
E
S
I
L
P
T
T
L
T
T
L
W
S
L
------------------------
S
V
A
---
I
F
S
----------------
V
G
G
M
I
G
S
F
S
V
G
L
F
V
N
R
F
G
R
R
N
S
M
L
M
M
N
------
L
L
A
F
V
S
A
V
----
L
M
G
F
-
S
K
L
-----
G
-----
K
S
F
E
M
------------
L
I
--
L
G
R
F
I
I
G
------
V
Y
C
G
-----
L
T
T
G
F
V
P
M
Y
V
--
G
E
V
S
P
T
--
A
L
R
G
A
-----
L
G
T
---
L
H
Q
L
G
I
V
V
G
I
L
I
A
Q
V
F
G
---
L
----
D
S
I
M
G
-
N
-----
K
D
-----------
L
----
W
P
L
L
L
S
I
I
F
I
P
A
L
---
L
Q
C
I
V
L
P
F
C
P
E
S
P
R
F
L
L
I
N
R
N
E
E
N
R
A
K
S
V
L
K
K
L
R
G
T
A
D
V
T
-----
H
D
L
Q
E
M
K
E
E
S
R
Q
MM
R
E
K
K
V
T
--
I
L
E
L
F
R
S
P
A
Y
R
------
Q
P
--------
I
L
I
A
V
V
L
Q
----
L
S
Q
QLSG
I
N
A
V
F
Y
Y
S
T
S
I
F
E
K
A
G
V
Q
Q
P
V
-
Y
A
T
I
---
G
-
S
G
I
V
N
T
A
F
T
V
V
S
L
F
V
V
Q
R
----------
A
G
R
R
T
L
-----
H
L
I
G
L
A
G
M
A
G
C
A
I
L
M
T
I
A
L
A
---
L
L
E
Q
L
P
W
M
-
S
Y
L
S
I
V
A
I
F
G
F
V
A
F
F
E
V
GPGP
I
P
W
F
I
--
V
A
E
L
F
-----------
S
Q
G
P
R
P
A
A
I
A
V
A
G
F
S
N
-
W
T
-----------
S
N
F
I
-
V
G
M
C
F
Q
------------
Y
V
E
Q
L
-
C
G
P
Y
V
-----------------
F
I
I
F
T
V
L
L
V
L
F
F
I
F
T
Y
-
F
K
V
P
E
T
------------------------------------------------------
9
PsiBlast_PDB
72.77
20%
-110
- C3 -
4GC0
5
XYLE_ECOLI
A:
[66-479]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
G
C
I
I
G
G
A
L
G
G
Y
C
S
N
R
F
G
R
R
------
D
S
L
K
I
A
A
V
L
F
F
I
S
G
V
----
G
S
A
W
-
P
E
L
G
F
--
T
S
-----
I
N
P
D
N
TVPVYLAGY
V
P
E
F
V
--
I
Y
R
I
I
G
G
------
I
--
G
V
G
L
A
S
M
L
S
P
M
Y
I
A
E
L
A
P
A
H
I
R
G
K
--
L
V
S
-------
F
N
Q
---
F
-------
A
I
I
----
F
G
Q
L
L
V
----
Y
C
V
N
Y
-
F
-----
I
A
R
S
GD
A
S
W
L
N
T
D
G
----
W
R
Y
M
F
A
S
E
C
I
P
A
L
---
L
F
L
M
L
L
Y
T
V
P
E
S
P
R
W
-
L
M
S
R
G
K
Q
E
Q
A
E
G
I
L
R
K
--------
I
M
G
N
T
L
A
T
Q
A
V
Q
E
I
K
H
S
--
L
D
H
G
R
K
--
T
G
G
R
L
L
M
F
G
V
G
V
I
V
I
G
V
M
L
--------
S
I
F
Q
Q
F
V
G
----
I
N
V
------
V
L
Y
Y
A
P
E
V
F
-
K
T
L
G
A
S
T
D
I
A
L
L
Q
T
---
I
I
V
G
V
I
N
L
T
F
T
V
L
A
I
M
T
V
D
K
----------
F
G
R
K
P
L
Q
I
I
G
A
L
G
M
A
I
G
M
F
S
L
G
T
A
-
F
Y
T
Q
-----
A
P
G
I
V
A
L
L
-
S
M
L
F
Y
V
A
A
F
A
M
S
W
G
-
P
-----
V
C
W
V
L
--
L
S
E
I
F
-----------
P
N
A
I
R
G
K
A
L
A
I
A
V
A
A
Q
-
W
L
-----------
A
N
------
Y
F
V
S
W
T
F
P
M
M
D
K
N
S
W
L
V
A
H
F
-
H
N
G
F
S
-----------------
Y
W
I
Y
G
C
M
G
V
L
A
A
L
F
M
W
K
F
-
V
P
E
T
K
G
K
T
L
E
E
-
L
E
A
L
W
E
----------------------------------------
32
Fugue
72.25
14%
-99
- C3 -
4GC0
5
XYLE_ECOLI
A:
[5-479]
----------------
Y
N
S
S
Y
I
F
S
I
T
L
V
A
T
L
G
G
L
L
F
G
Y
D
T
A
V
I
S
G
T
V
E
S
L
N
T
V
F
V
A
P
Q
N
L
-------------------
S
E
S
A
A
N
S
L
L
G
-
F
C
V
A
S
A
L
I
G
C
I
I
G
G
A
L
G
G
Y
-
C
S
N
R
F
G
------------------------------------
R
---------
R
D
S
L
K
I
A
A
---
V
L
F
----------------
F
I
S
G
V
G
S
A
W
P
E
L
G
F
T
S
I
N
P
D
------
N
------
T
--
V
P
V
Y
L
----
A
G
Y
V
-
P
E
F
V
I
--
Y
R
-----
I
I
G
G
I
------------
G
V
--
G
L
A
S
M
L
S
------
P
--
M
-----
Y
I
A
E
L
A
P
A
H
I
R
G
K
L
V
S
F
N
--
Q
F
A
I
I
-----
F
G
Q
---
L
-------
L
V
Y
C
V
N
Y
F
I
A
R
S
G
----
D
A
S
W
L
-
N
-----
T
D
-----------
G
----
W
R
Y
M
F
A
S
E
C
I
P
A
L
---
L
F
L
M
L
L
Y
T
V
P
E
S
P
R
W
-
L
M
S
R
G
K
Q
E
Q
A
E
G
I
L
R
K
I
M
G
N
T
L
A
T
Q
A
V
Q
E
I
K
H
S
L
D
H
G
R
K
T
G
--
G
R
L
L
M
F
--
G
V
G
V
I
V
I
G
V
M
L
------
S
I
--------
F
Q
Q
F
V
G
I
N
----
V
V
L
------
Y
Y
A
P
E
V
F
K
T
-
L
G
A
S
T
D
I
A
L
-
L
Q
T
I
---
I
V
G
V
I
N
L
T
F
T
V
L
A
I
M
T
V
D
K
F
----------
G
R
K
P
-------
L
Q
I
I
G
A
L
G
M
A
I
G
M
F
S
L
G
T
A
F
Y
T
Q
A
P
G
I
V
A
L
L
-
S
M
L
F
Y
V
A
A
F
A
M
S
W
G
-
P
-----
V
C
W
V
L
--
L
S
E
I
F
-----------
P
N
A
I
R
G
K
A
L
A
I
A
V
A
A
Q
W
L
A
-----------
N
Y
-
F
-
V
S
W
T
F
P
------------
M
M
D
K
N
-
S
W
L
V
A
-----------------
H
F
H
N
G
F
S
Y
W
I
Y
G
C
M
G
V
-
L
-
A
A
L
F
M
W
K
F
V
P
E
T
---------------
K
G
K
T
L
E
E
L
E
A
L
W
E
------------------
8
PsiBlast_PDB
71.54
20%
-113
- C3 -
4GBZ
5
XYLE_ECOLI
A:
[66-479]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
G
C
I
I
G
G
A
L
G
G
Y
C
S
N
R
F
G
R
R
------
D
S
L
K
I
A
A
V
L
F
F
I
S
G
V
----
G
S
A
W
-
P
E
L
G
F
--
T
S
-----
I
N
P
D
N
TVPVYLAGY
V
P
E
F
V
--
I
Y
R
I
I
G
G
------
I
--
G
V
G
L
A
S
M
L
S
P
M
Y
I
A
E
L
A
P
A
H
I
R
G
K
--
L
V
S
-------
F
N
Q
---
F
-------
A
I
I
----
F
G
Q
L
L
V
----
Y
C
V
N
Y
-
F
-----
I
A
R
S
GD
A
S
W
L
N
T
D
G
----
W
R
Y
M
F
A
S
E
C
I
P
A
L
---
L
F
L
M
L
L
Y
T
V
P
E
S
P
R
W
-
L
M
S
R
G
K
Q
E
Q
A
E
G
I
L
R
K
--------
I
M
G
N
T
L
A
T
Q
A
V
Q
E
I
K
H
S
--
L
D
H
G
R
K
--
T
G
G
R
L
L
M
F
G
V
G
V
I
V
I
G
V
M
L
--------
S
I
F
Q
Q
F
V
G
----
I
N
V
------
V
L
Y
Y
A
P
E
V
F
-
K
T
L
G
A
S
T
D
I
A
L
L
Q
T
---
I
I
V
G
V
I
N
L
T
F
T
V
L
A
I
M
T
V
D
K
----------
F
G
R
K
P
L
Q
I
I
G
A
L
G
M
A
I
G
M
F
S
L
G
T
A
-
F
Y
T
Q
-----
A
P
G
I
V
A
L
L
-
S
M
L
F
Y
V
A
A
F
A
M
S
W
G
-
P
-----
V
C
W
V
L
--
L
S
E
I
F
-----------
P
N
A
I
R
G
K
A
L
A
I
A
V
A
A
Q
-
W
L
-----------
A
N
------
Y
F
V
S
W
T
F
P
M
M
D
K
N
S
W
L
V
A
H
F
-
H
N
G
F
S
-----------------
Y
W
I
Y
G
C
M
G
V
L
A
A
L
F
M
W
K
F
-
V
P
E
T
K
G
K
T
L
E
E
-
L
E
A
L
W
E
----------------------------------------
34
Fugue
71.36
17%
-112
- C3 -
4QIQ
-
XYLE_ECOLI
A:
[7-470]
--------
S
Y
I
F
S
I
T
L
V
A
T
L
G
G
L
L
F
G
Y
D
T
A
V
I
S
G
T
V
E
S
L
N
T
V
F
V
-----------
A
P
Q
N
L
S
-------------------
E
S
A
A
N
S
L
L
G
-
F
C
V
A
S
A
L
I
G
C
I
I
G
G
A
L
G
G
Y
-
C
S
N
R
F
G
-----------------------------
R
R
-----
D
---------
S
L
K
I
A
A
V
L
---
F
F
I
----------------
S
G
V
G
S
A
W
P
E
L
G
F
T
S
I
N
P
D
N
T
----------------
V
P
V
Y
L
----
A
G
Y
V
-
P
E
F
V
I
--
Y
R
-----
I
I
G
G
I
------------
G
V
--
G
L
A
S
M
L
S
------
P
--
M
-----
Y
I
A
E
L
A
P
A
H
I
R
G
K
L
V
S
F
N
--
Q
F
A
I
I
-----
F
G
Q
---
L
-------
L
V
Y
C
V
N
Y
F
I
A
R
S
G
----
D
A
S
W
L
-
N
-----
T
D
-----------
G
----
W
R
Y
M
F
A
S
E
C
I
P
A
L
---
L
F
L
M
L
L
Y
T
V
P
E
S
P
R
W
-
L
M
T
L
A
T
Q
A
V
Q
E
I
K
H
S
L
---------------
D
R
L
L
M
F
G
V
G
V
--
I
V
I
G
V
M
--
L
S
I
F
Q
Q
F
V
G
I
N
------
V
V
--------
L
Y
Y
A
P
E
V
F
----
K
T
L
------
G
A
S
-
T
D
I
A
L
-
L
Q
T
I
I
V
G
V
I
-
N
L
T
F
---
T
V
L
A
I
M
T
V
D
K
F
---
G
R
K
P
L
Q
----------
I
I
G
A
-------
L
G
M
A
I
G
M
F
S
L
G
T
A
F
Y
T
Q
------
A
P
G
I
V
A
L
L
-
S
M
L
F
Y
V
A
A
F
A
M
S
W
G
-
P
-----
V
C
W
V
L
--
L
S
E
I
F
-----------
P
N
A
I
R
G
K
A
L
A
I
A
V
A
A
Q
-
W
L
-----------
A
N
Y
F
-
V
S
W
T
F
P
------------
M
M
D
K
N
-
S
W
L
V
A
-----------------
H
F
H
N
G
F
S
Y
W
I
Y
G
C
M
G
V
-
L
-
A
A
L
F
M
W
K
F
V
P
E
T
K
G
K
T
L
-----------------------------------------
7
PsiBlast_PDB
70.72
20%
-115
- C3 -
4GBY
5
XYLE_ECOLI
A:
[66-479]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
G
C
I
I
G
G
A
L
G
G
Y
C
S
N
R
F
G
R
R
------
D
S
L
K
I
A
A
V
L
F
F
I
S
G
V
----
G
S
A
W
-
P
E
L
G
F
--
T
S
-----
I
N
P
D
N
TVPVYLAGY
V
P
E
F
V
--
I
Y
R
I
I
G
G
------
I
--
G
V
G
L
A
S
M
L
S
P
M
Y
I
A
E
L
A
P
A
H
I
R
G
K
--
L
V
S
-------
F
N
Q
---
F
-------
A
I
I
----
F
G
Q
L
L
V
----
Y
C
V
N
Y
-
F
-----
I
A
R
SGD
A
S
W
L
N
T
D
G
----
W
R
Y
M
F
A
S
E
C
I
P
A
L
---
L
F
L
M
L
L
Y
T
V
P
E
S
P
R
W
-
L
M
S
R
G
K
Q
E
Q
A
E
G
I
L
R
K
--------
I
M
G
N
T
L
A
T
Q
A
V
Q
E
I
K
H
S
--
L
D
H
G
R
K
--
T
G
G
R
L
L
M
F
G
V
G
V
I
V
I
G
V
M
L
--------
S
I
F
Q
Q
F
V
G
----
I
N
V
------
V
L
Y
Y
A
P
E
V
F
-
K
T
L
G
A
S
T
D
I
A
L
L
Q
T
---
I
I
V
G
V
I
N
L
T
F
T
V
L
A
I
M
T
V
D
K
----------
F
G
R
K
P
L
Q
I
I
G
A
L
G
M
A
I
G
M
F
S
L
G
T
A
-
F
Y
T
Q
-----
A
P
G
I
V
A
L
L
-
S
M
L
F
Y
V
A
A
F
A
M
S
W
G
-
P
-----
V
C
W
V
L
--
L
S
E
I
F
-----------
P
N
A
I
R
G
K
A
L
A
I
A
V
A
A
Q
-
W
L
-----------
A
N
------
Y
F
V
S
W
T
F
P
M
M
D
K
N
S
W
L
V
A
H
F
-
H
N
G
F
S
-----------------
Y
W
I
Y
G
C
M
G
V
L
A
A
L
F
M
W
K
F
-
V
P
E
T
K
G
K
T
L
E
E
-
L
E
A
L
W
E
----------------------------------------
5
PsiBlast_PDB
69.52
21%
-138
- C3 -
4JA4
-
XYLE_ECOLI
A:
[66-473]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
G
C
I
I
G
G
A
L
G
G
Y
C
S
N
R
F
G
R
R
------
D
S
L
K
I
A
A
V
L
F
F
I
S
G
V
----
G
S
A
W
-
P
E
L
G
F
--
T
S
-----
I
N
P
D
N
T
V
PVYLAGY
V
P
E
F
V
--
I
Y
R
I
I
G
G
------
I
--
G
V
G
L
A
S
M
L
S
P
M
Y
I
A
E
L
A
P
A
H
I
R
G
K
--
L
V
S
-------
F
N
Q
---
F
-------
A
I
I
----
F
G
Q
L
L
V
----
Y
C
V
N
Y
-
F
-----
I
A
RSGD
A
S
W
L
N
T
D
G
----
W
R
Y
M
F
A
S
E
C
I
P
A
L
---
L
F
L
M
L
L
Y
T
V
P
E
S
P
R
W
-
L
M
----
Q
E
Q
A
E
G
I
L
R
K
--------
I
M
G
N
T
L
A
T
Q
A
V
Q
E
I
K
H
S
--
L
D
H
G
----------
M
F
G
V
G
V
I
V
I
G
V
M
L
--------
S
I
F
Q
Q
F
V
G
----
I
N
V
------
V
L
Y
Y
A
P
E
V
------------
L
L
Q
T
---
I
I
V
G
V
I
N
L
T
F
T
V
L
A
I
M
T
V
D
K
----------
F
G
R
K
P
L
Q
I
I
G
A
L
G
M
A
I
G
M
F
S
L
G
T
A
-
F
Y
T
Q
-----
A
P
G
I
V
A
L
L
-
S
M
L
F
Y
V
A
A
F
A
M
S
W
G
-
P
-----
V
C
W
V
L
--
L
S
E
I
F
-----------
P
N
A
I
R
G
K
A
L
A
I
A
V
A
A
Q
-
W
L
-----------
A
N
------
Y
F
V
S
W
T
F
P
M
M
DKNSW-------
N
G
F
S
-----------------
Y
W
I
Y
G
C
M
G
V
L
A
A
L
F
M
W
K
F
-
V
P
E
T
K
G
K
T
L
E
E
L
E
A
L
W
E
-----------------------------------------
37
Fugue
68.90
16%
-107
* C2 *
4IUW
2
?
A:
[4-633]
LP
R
I
Q
D
D
L
Y
L
A
V
N
G
E
W
Q
A
K
T
P
----------
I
P
P
D
K
---
S
V
V
S
A
D
S
N
L
T
D
D
I
R
Q
K
L
V
A
D
L
S
T
M
T
K
T
A
K
T
-------
L
P
L
Q
Y
A
A
R
L
F
A
K
A
N
D
Q
T
R
R
Q
Q
L
G
I
E
P
V
R
D
-
R
I
S
-
F
L
M
A
L
T
T
L
D
Q
F
R
S
A
M
P
K
L
V
A
D
Q
Y
V
L
P
I
S
P
Y
V
D
A
D
M
H
D
-----
A
---------
E
H
N
I
L
N
L
G
G
P
D
T
I
L
----------------
P
D
A
A
M
Y
N
Q
E
D
A
E
N
A
A
D
L
A
A
W
------
S
------
Q
M
A
A
A
M
L
A
----
A
V
G
F
-
S
Q
T
D
Q
--
T
A
Y
V
E
A
A
K
R
F
D
R
------------
R
L
--
A
D
Y
V
P
A
N
------
V
--
D
-----
L
A
V
D
S
T
Y
D
N
P
L
S
W
Q
A
F
E
D
--
A
A
G
Y
L
G
I
P
Q
A
F
A
T
---
Y
MPQ----
T
P
A
K
V
N
A
V
V
P
A
Y
L
----
P
H
L
S
K
-
L
L
TPDN
Y
S
-----------
E
----
W
H
A
W
M
V
I
N
E
L
L
T
C
A
T
Y
L
S
D
D
L
R
Q
L
A
G
Q
Y
D
R
F
-
L
A
G
Q
P
E
A
S
S
W
T
K
H
A
F
G
I
A
N
E
Y
F
D
D
V
I
G
Q
Y
Y
G
Q
T
Y
F
-
G
A
D
A
K
--
A
D
V
T
A
M
--
V
K
Q
I
L
A
Q
Y
R
V
Q
------
L
E
N
NTWLS
P
A
T
K
Q
K
A
M
R
K
----
L
A
T
------
M
Q
V
K
M
G
Y
P
A
-
R
L
F
S
L
Y
D
H
L
-
S
V
D
V
DDD
L
L
T
A
I
L
K
L
S
A
Q
T
Q
A
F
W
F
K
Q
L
GQTVDRNQWN
M
P
G
H
-------
L
V
N
A
S
Y
D
P
L
K
N
D
I
T
F
P
A
G
I
L
---
Q
P
P
Y
Y
S
L
K
W
T
R
A
E
N
L
G
G
T
G
A
T
I
G
H
E
-----
I
S
H
S
F
D
N
N
G
A
L
Y
DEYGNLHNWWT
P
A
D
K
Q
A
F
D
Q
L
V
K
A
M
A
A
-
Q
F
DGRDYEG
V
K
V
N
G
T
-
L
T
V
S
E
N
M
A
------------
D
N
A
G
M
-
D
V
A
L
A
L
L
GDQPD
V
K
D
L
Q
A
F
F
I
T
Y
A
R
S
W
A
T
K
M
R
P
E
R
A
K
T
-
V
-
L
R
Q
D
V
H
A
P
A
T
L
R
V
N
V
P
V
Q
N
F
P
A
W
Y
Q
A
F
N
V
Q
P
Q
D
G
M
Y
R
Q
P
Q
K
R
L
T
I
W
H
Q
----------
36
Fugue
67.14
19%
-99
- C3 -
4QUV
1
?
A:
[23-427]
---------
F
S
W
L
V
L
M
I
A
L
P
P
L
V
Y
Y
L
W
I
C
V
T
Y
Y
Q
G
E
L
V
F
T
S
--------------
D
A
A
A
W
R
R
F
W
S
H
V
A
P
P
--------
T
W
H
A
A
G
L
Y
A
A
W
-
F
L
G
Q
A
A
L
Q
V
W
A
P
G
P
T
V
Q
G
M
-
K
L
P
D
G
S
R
L
D
Y
R
M
-----
N
G
I
F
S
F
L
F
T
L
A
V
V
F
G
L
V
T
---------------------------------------------------
M
G
W
L
D
A
T
V
L
Y
D
Q
------------------------
L
----
G
P
L
L
-
T
V
V
N
I
--
F
T
-----
F
V
F
A
G
------------
F
L
--
Y
F
W
-------------
G
-----
P
F
Y
D
Y
F
M
G
T
A
L
N
P
R
I
G
S
L
--
D
L
K
L
F
-----
C
E
A
---
R
-------
P
G
M
I
F
W
L
L
M
N
L
S
M
----
A
A
K
Q
Y
-
E
-----
L
H
---------------------------
G
T
---
V
T
V
P
M
L
L
V
V
G
F
Q
S
F
Y
-
L
I
D
Y
F
I
H
E
E
A
V
L
T
--------------------------------------------
T
W
D
I
K
------
H
E
--------
K
------------------------
F
G
-------------------------------
W
M
L
C
W
G
D
L
V
W
----------
L
P
F
T
-------
Y
T
L
Q
A
Q
Y
L
V
H
H
T
------------
H
D
L
P
V
W
G
-
I
I
A
I
V
A
L
N
L
A
G
Y
A
I
F
R
-----
G
A
N
I
Q
--
K
H
H
F
R
-----------
R
D
P
N
R
---
I
V
W
G
K
P
A
K
-
Y
I
-----------
K
T
-
K
-
Q
G
S
L
L
L
------------
T
S
G
W
W
-
G
I
A
R
H
-----------------
M
N
Y
F
G
D
L
M
I
A
---
L
S
W
-
C
-
L
P
A
A
F
G
S
P
I
P
Y
F
H
I
V
Y
F
T
I
--
L
L
L
H
R
E
K
R
D
D
A
M
C
L
A
K
Y
G
E
D
W
L
Q
Y
R
K
K
V
P
W
RIVPKIY
38
Fugue
60.92
13%
-111
- C2 -
4EI7
1
REPX_BACC1
A:
[3-384]
------
G
N
F
S
E
I
E
S
Q
G
N
I
S
L
K
F
G
F
L
G
L
-------
G
M
G
G
C
A
I
A
A
E
C
A
N
K
E
T
Q
I
K
------------
N
N
K
Y
P
Y
----------------
R
A
-
I
L
V
N
T
N
S
Q
D
F
N
K
I
E
I
K
N
T
G
-
N
V
R
K
I
Q
-
L
E
G
Y
E
--------------------------------------------------------------------------
Q
G
A
A
R
N
P
Q
V
G
E
E
A
F
V
K
------
H
--------------------
E
T
-
K
I
F
E
A
--
V
K
-----
Q
E
F
E
D
------------
R
D
--
F
I
W
I
T
C
G
------
L
--
G
-----
G
-------------------------------------------------
G
T
G
T
G
A
L
----
L
K
A
I
E
-
M
-----
L
Y
-----------
E
----
H
D
Y
N
F
G
L
L
L
T
L
-----------------
P
R
D
-
A
E
A
L
K
V
L
E
N
A
T
S
R
I
R
S
I
A
M
N
Q
E
A
F
G
S
I
V
L
I
D
N
A
K
L
Y
R
K
F
E
E
--
E
N
P
S
A
L
--
A
N
E
Y
T
S
Y
S
N
K
Y
------
I
A
--------
D
A
L
H
E
I
N
L
----
V
T
-----------------
S
S
F
T
P
F
S
D
T
-
H
F
D
-------------------------------------
A
-------
S
E
F
A
Q
V
I
N
T
P
G
V
L
S
L
A
K
L
E
L
---
K
S
N
Q
L
D
T
E
-
N
P
L
G
Y
L
T
Q
L
G
N
A
L
E
K
G
-----
V
L
Y
D
T
--
E
R
E
E
L
-----------
E
S
A
-
K
K
S
A
L
S
I
V
T
S
P
L
-
R
A
-----------
G
R
-
L
-
Y
N
-----------------
F
S
F
L
-
N
Q
M
E
N
-----------------
F
L
K
E
R
T
P
Y
V
D
E
R
P
I
A
P
-
Y
-
V
N
K
H
T
T
K
K
E
E
D
I
V
K
F
Y
S
V
V
--
A
G
L
P
L
---
P
K
R
V
S
D
I
I
D
E
I
T
R
I
K
E
E
R
E
Q
A
N
-------
39
Fugue
60.90
11%
-106
- C3 -
1PW4
-
GLPT_ECOLI
A:
[5-451]
--------------------------------------------
F
K
P
A
P
H
K
A
R
L
P
A
------------------
A
E
I
D
P
T
Y
R
R
L
R
W
Q
I
F
-
L
G
I
F
F
G
Y
A
A
Y
Y
L
V
R
K
N
---------------------------
F
A
L
A
M
P
Y
L
V
E
Q
G
F
S
-----
R
---------
G
D
L
G
F
A
L
S
---
G
I
S
----------------
I
A
Y
G
F
S
K
F
I
M
G
S
V
S
D
R
S
N
P
R
------
V
------
F
L
P
A
G
L
I
L
A
A
A
V
M
L
F
M
-
G
F
V
P
W
--
A
T
-----
S
S
I
A
V
------------
M
F
--
V
L
L
F
L
C
G
------
W
--
F
-----
Q
G
M
G
W
P
P
C
G
R
T
M
V
H
W
W
S
Q
--
K
E
R
G
G
-----
I
V
S
---
V
-------
W
N
C
A
H
N
V
G
G
G
I
P
P
----
L
L
F
L
L
-
G
-----
M
A
WFN--------
D
----
W
H
A
A
L
Y
M
P
A
F
C
A
I
---
L
V
A
L
F
A
F
A
M
M
R
D
T
P
Q
-
S
C
G
L
P
P
I
E
E
Y
K
-------------------
N
D
T
A
K
Q
I
F
M
Q
Y
--
V
L
P
N
K
L
--
L
W
Y
I
A
I
A
N
V
F
V
------
Y
L
--------
L
R
Y
G
I
L
D
W
----
S
P
T
------
Y
L
K
--
E
V
K
H
-
F
A
L
D
K
S
S
W
A
-
Y
F
L
Y
---
E
Y
A
G
I
P
G
T
L
L
C
G
W
M
S
D
K
V
F
R
----------
G
N
R
G
-------
A
T
G
V
F
F
M
T
L
V
T
I
A
T
I
V
Y
W
M
N
---
P
A
G
N
P
T
V
D
-
M
I
C
M
I
V
I
G
F
L
I
Y
G
P
V
M
-----
L
I
G
L
H
--
A
L
E
L
A
-----------
P
K
K
A
A
G
T
A
A
G
F
T
G
L
F
G
-
Y
L
-----------
G
G
-
S
-
V
A
A
S
A
I
------------
V
G
Y
T
V
-
D
F
F
G
W
-----------------
D
G
G
F
M
V
M
I
G
G
S
I
L
A
V
I
-
L
-
L
I
V
V
M
I
G
E
K
R
R
H
E
Q
L
L
Q
E
L
--
V
P
-----------------------------------
33
Fugue
56.94
12%
-113
- C3 -
2GFP
-
EMRD_ECOLI
A:
[9-383]
----------------------------------
L
L
L
M
L
V
L
L
V
A
V
G
Q
M
A
Q
T
I
Y
I
P
A
I
A
D
M
A
R
D
L
N
V
--------------------------------------------------------------------------------
R
-----
E
---------
G
A
V
Q
S
V
M
G
---
A
Y
L
----------------
L
T
Y
G
V
S
Q
L
F
Y
G
P
I
S
D
R
V
G
R
R
------
P
------
V
I
L
V
G
M
S
I
----
F
M
L
A
-
T
L
V
A
V
--
T
T
-----
S
S
L
T
V
------------
L
I
--
A
A
S
A
M
Q
G
------
M
--
G
-----
T
G
V
G
G
V
M
A
R
T
L
P
R
D
L
Y
E
R
--
T
----------
Q
L
---
R
-------
H
A
N
S
L
L
N
M
G
I
L
V
S
----
P
L
L
A
P
-
L
-----
I
G
-----------
G
----
L
L
D
T
---------------------------------
M
W
N
W
R
A
C
Y
L
F
L
L
V
L
C
A
G
V
T
F
S
M
A
R
W
M
P
E
T
R
P
V
D
A
P
R
--
T
R
L
L
T
S
--
Y
K
T
L
F
G
N
S
G
F
N
------
C
Y
--------
L
L
M
L
I
G
G
L
----
A
G
I
------
A
A
F
E
A
C
-----
S
G
V
L
M
G
A
V
-
L
G
L
S
---
S
M
T
V
S
I
L
F
I
L
P
I
P
A
A
F
F
G
A
W
----------
F
A
G
R
-------
P
N
K
R
F
S
T
L
M
W
Q
S
V
I
C
C
L
L
-----
A
G
L
L
M
W
I
P
-
D
W
F
G
V
M
N
V
W
T
L
L
V
P
A
A
-----
L
F
F
F
G
--
A
G
M
L
F
-----------
P
L
A
T
S
G
A
M
E
P
F
P
F
L
A
G
-
T
A
-----------
G
A
-
L
-
V
G
G
L
Q
N
------------
I
G
S
G
V
L
A
S
L
S
A
-----------------
M
L
P
Q
T
G
Q
G
S
L
G
L
L
M
T
L
-
M
-
G
L
L
I
V
L
C
W
L
P
L
-----------------------------------------------
2
PsiBlast_PDB
56.47
29%
-111
- C3 -
4ZWB
1
?
A:
[87-301]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
S
V
A
---
I
F
S
----------------
V
G
G
M
I
G
S
F
S
V
G
L
F
V
N
R
F
G
R
R
------
N
S
-----
M
L
I
V
N
L
L
A
----
V
T
G
G
-
C
F
M
G
L
CK
V
A
-----
K
S
V
E
M
------------
L
I
--
L
G
R
L
V
I
G
------
L
F
C
G
-----
L
C
T
G
F
V
P
M
Y
I
--
G
E
I
S
P
T
--
A
L
R
G
A
-----
F
G
T
L
N
Q
L
-------
G
I
V
V
----
G
I
L
V
A
----
Q
I
F
G
L
E
F
-----
I
L
-----------
G
SEEL
W
P
L
L
L
G
F
T
I
L
P
A
I
---
L
Q
S
A
A
L
P
F
C
P
E
S
P
R
F
L
L
I
N
R
K
E
E
E
N
A
K
Q
I
L
Q
R
L
W
G
T
Q
D
V
S
Q
-----
D
I
Q
E
M
K
D
E
S
A
R
--
M
S
Q
E
K
Q
VT
V
L
E
L
F
R
V
S
S
Y
R
------
Q
P
--------
I
I
I
S
I
V
L
Q
----
L
S
Q
------
Q
L
S
G
I
N
A
V
F
-
Y
Y
S
T
G
I
F
K
D
-
A
G
V
Q
---
E
P
I
Y
A
T
I
G
A
G
V
V
N
T
I
F
T
V
V
S
----------
L
F
L
V
-------
E
R
A
G
R
R
T
L
H
M
I
G
L
G
G
M
A
F
C
S
---
T
L
M
T
V
S
L
L
-
L
K
D
N
Y
N
G
M
S
F
V
C
I
G
A
I
-----
L
V
F
V
A
--
F
F
E
I
G
-----------
P
G
P
I
P
W
F
I
V
A
E
L
F
S
Q
G
-
P
R
-----------
P
A
-
A
-
M
A
V
A
G
C
------------
S
N
W
T
S
-
N
F
L
V
G
-----------------
L
L
F
P
S
A
A
H
Y
L
G
A
Y
V
F
I
-
I
-
F
T
G
F
L
I
T
F
L
A
F
T
F
F
K
V
P
E
T
--
R
G
R
T
F
E
D
I
T
R
A
F
E
G
Q
A
H
--------------------
3
PsiBlast_PDB
56.36
29%
-109
- C3 -
4ZWC
1
?
A:
[87-301]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
S
V
A
---
I
F
S
----------------
V
G
G
M
I
G
S
F
S
V
G
L
F
V
N
R
F
G
R
R
------
N
S
-----
M
L
I
V
N
L
L
A
----
V
T
G
G
-
C
F
M
G
L
CK
V
A
-----
K
S
V
E
M
------------
L
I
--
L
G
R
L
V
I
G
------
L
F
C
G
-----
L
C
T
G
F
V
P
M
Y
I
--
G
E
I
S
P
T
--
A
L
R
G
A
-----
F
G
T
L
N
Q
L
-------
G
I
V
V
----
G
I
L
V
A
----
Q
I
F
G
L
E
F
-----
I
L
-----------
G
SEEL
W
P
L
L
L
G
F
T
I
L
P
A
I
---
L
Q
S
A
A
L
P
F
C
P
E
S
P
R
F
L
L
I
N
R
K
E
E
E
N
A
K
Q
I
L
Q
R
L
W
G
T
Q
D
V
S
Q
-----
D
I
Q
E
M
K
D
E
S
A
R
--
M
S
Q
E
K
Q
VT
V
L
E
L
F
R
V
S
S
Y
R
------
Q
P
--------
I
I
I
S
I
V
L
Q
----
L
S
Q
------
Q
L
S
G
I
N
A
V
F
-
Y
Y
S
T
G
I
F
K
D
-
A
G
V
Q
---
E
P
I
Y
A
T
I
G
A
G
V
V
N
T
I
F
T
V
V
S
----------
L
F
L
V
-------
E
R
A
G
R
R
T
L
H
M
I
G
L
G
G
M
A
F
C
S
---
T
L
M
T
V
S
L
L
-
L
K
D
N
Y
N
G
M
S
F
V
C
I
G
A
I
-----
L
V
F
V
A
--
F
F
E
I
G
-----------
P
G
P
I
P
W
F
I
V
A
E
L
F
S
Q
G
-
P
R
-----------
P
A
-
A
-
M
A
V
A
G
C
------------
S
N
W
T
S
-
N
F
L
V
G
-----------------
L
L
F
P
S
A
A
H
Y
L
G
A
Y
V
F
I
-
I
-
F
T
G
F
L
I
T
F
L
A
F
T
F
F
K
V
P
E
T
--
R
G
R
T
F
E
D
I
T
R
A
F
E
G
Q
A
H
--------------------
1
PsiBlast_PDB
56.11
29%
-110
- C3 -
4ZW9
4
?
A:
[87-301]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
S
V
A
---
I
F
S
----------------
V
G
G
M
I
G
S
F
S
V
G
L
F
V
N
R
F
G
R
R
------
N
S
-----
M
L
I
V
N
L
L
A
----
V
T
G
G
-
C
F
M
G
L
CK
V
A
-----
K
S
V
E
M
------------
L
I
--
L
G
R
L
V
I
G
------
L
F
C
G
-----
L
C
T
G
F
V
P
M
Y
I
--
G
E
I
S
P
T
--
A
L
R
G
A
-----
F
G
T
L
N
Q
L
-------
G
I
V
V
----
G
I
L
V
A
----
Q
I
F
G
L
E
F
-----
I
L
-----------
G
SEEL
W
P
L
L
L
G
F
T
I
L
P
A
I
---
L
Q
S
A
A
L
P
F
C
P
E
S
P
R
F
L
L
I
N
R
K
E
E
E
N
A
K
Q
I
L
Q
R
L
W
G
T
Q
D
V
S
Q
-----
D
I
Q
E
M
K
D
E
S
A
R
--
M
S
Q
E
K
Q
VT
V
L
E
L
F
R
V
S
S
Y
R
------
Q
P
--------
I
I
I
S
I
V
L
Q
----
L
S
Q
------
Q
L
S
G
I
N
A
V
F
-
Y
Y
S
T
G
I
F
K
D
-
A
G
V
Q
---
E
P
I
Y
A
T
I
G
A
G
V
V
N
T
I
F
T
V
V
S
----------
L
F
L
V
-------
E
R
A
G
R
R
T
L
H
M
I
G
L
G
G
M
A
F
C
S
---
T
L
M
T
V
S
L
L
-
L
K
D
N
Y
N
G
M
S
F
V
C
I
G
A
I
-----
L
V
F
V
A
--
F
F
E
I
G
-----------
P
G
P
I
P
W
F
I
V
A
E
L
F
S
Q
G
-
P
R
-----------
P
A
-
A
-
M
A
V
A
G
C
------------
S
N
W
T
S
-
N
F
L
V
G
-----------------
L
L
F
P
S
A
A
H
Y
L
G
A
Y
V
F
I
-
I
-
F
T
G
F
L
I
T
F
L
A
F
T
F
F
K
V
P
E
T
--
R
G
R
T
F
E
D
I
T
R
A
F
E
G
Q
A
H
--------------------
4
PsiBlast_PDB
55.11
29%
-110
- C3 -
5C65
8
?
A:
[65-279]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
S
V
A
---
I
F
S
----------------
V
G
G
M
I
G
S
F
S
V
G
L
F
V
N
R
F
G
R
R
------
N
S
-----
M
L
I
V
N
L
L
A
----
V
T
G
G
-
C
F
M
G
L
C
K
V
A
-----
K
S
V
E
M
------------
L
I
--
L
G
R
L
V
I
G
------
L
F
C
G
-----
L
C
T
G
F
V
P
M
Y
I
--
G
E
I
S
P
T
--
A
L
R
G
A
-----
F
G
T
L
N
Q
L
-------
G
I
V
V
----
G
I
L
V
A
----
Q
I
F
G
L
E
F
-----
I
L
-----------
G
SEEL
W
P
L
L
L
G
F
T
I
L
P
A
I
---
L
Q
S
A
A
L
P
F
C
P
E
S
P
R
F
L
L
I
N
R
K
E
E
E
N
A
K
Q
I
L
Q
R
L
W
G
T
Q
D
V
S
Q
-----
D
I
Q
E
M
K
D
E
S
A
R
--
M
S
Q
E
K
Q
VT
V
L
E
L
F
R
V
S
S
Y
R
------
Q
P
--------
I
I
I
S
I
V
L
Q
----
L
S
Q
------
Q
L
S
G
I
N
A
V
F
-
Y
Y
S
T
G
I
F
K
D
-
A
P
I
Y
---
A
T
I
G
A
G
V
V
N
T
I
F
T
V
V
S
L
F
L
V
----------
E
R
A
G
-------
R
R
T
L
H
M
I
G
L
G
G
M
A
F
C
S
T
L
M
T
---
V
S
L
L
L
K
D
M
-
S
F
V
C
I
G
A
I
L
V
F
V
A
F
F
E
-----
I
G
P
G
P
--
I
P
W
F
I
-----------
V
A
E
L
F
S
Q
G
P
R
P
A
A
M
A
V
-
A
G
-----------
C
S
-
N
-
W
T
S
N
F
L
------------
V
G
L
L
F
-
P
S
A
A
H
-----------------
Y
L
G
A
Y
V
F
I
I
F
T
G
F
L
I
T
-
F
-
L
A
F
T
F
F
K
V
P
E
T
R
G
R
T
F
E
D
I
--
T
R
A
F
E
G
Q
A
-----------------------------
10
PsiBlast_PDB
50.86
24%
-98
- C3 -
4LDS
-
?
A:
[46-230]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
V
V
S
---
S
M
L
----------------
I
G
A
I
V
G
A
G
S
S
G
P
L
A
D
K
L
G
R
R
------
R
------
L
V
M
L
I
A
I
V
----
F
I
I
G
-
A
L
I
L
A
--
A
S
-----
T
N
L
A
L
------------
L
I
--
I
G
R
L
I
I
G
L
A
V
G
G
S
M
--
S
-----
T
V
P
V
Y
L
S
E
M
A
-
P
T
E
Y
R
G
S
LG
S
L
N
Q
L
-----
M
I
T
---
I
-------
G
I
L
A
A
Y
L
V
N
Y
A
--------
F
A
D
-------
I
E
-----------
G
----
W
R
W
M
L
G
L
A
V
V
P
S
V
---
I
L
L
V
G
I
Y
F
M
P
E
S
P
R
W
-
L
L
-
E
N
R
N
E
E
A
A
---
R
Q
V
M
K
I
T
--------
Y
D
D
S
E
I
D
K
E
L
K
E
--
M
K
E
I
N
A
--
I
S
E
--
S
T
W
T
V
I
------
K
S
--------
P
W
L
G
R
I
L
I
----
V
G
C
------
I
F
A
I
F
Q
Q
F
I
-
G
I
N
A
V
I
F
Y
S
-
S
S
I
F
---
A
K
A
G
L
G
E
A
A
S
I
L
G
S
V
G
I
G
T
I
----------
N
V
L
V
-------
T
I
V
A
I
F
V
V
D
K
I
D
R
K
K
L
L
V
G
G
---
N
I
G
M
I
A
S
L
-
L
I
M
A
I
L
I
W
T
I
G
I
A
S
S
A
-----
W
I
I
I
V
--
C
L
S
L
F
-----------
I
V
F
F
G
I
S
W
G
P
V
L
W
V
M
L
-
P
E
-----------
L
F
-
P
-
M
R
A
R
G
A
------------
A
T
G
I
S
-
A
L
V
L
N
-----------------
I
G
T
L
I
V
S
L
F
F
P
I
L
S
D
A
-
L
-
S
T
E
W
V
F
L
I
F
A
F
I
G
V
L
A
M
I
F
--
V
I
K
F
L
P
E
T
R
G
---------------------------
12
PsiBlast_PDB
43.53
26%
-123
- C3 -
4ZP0
1
?
A:
[13-109]
--------------------------------------------------------------------------------------------------------------------
C
L
V
L
Y
E
-----
F
S
T
Y
I
G
N
D
M
I
Q
P
G
M
L
A
V
V
E
Q
Y
QAGI
D
---------
W
-
V
P
T
S
M
T
---
A
Y
L
----------------
A
G
G
M
F
L
Q
W
L
L
G
P
L
S
D
R
I
G
R
R
------
P
------
V
M
L
A
G
V
V
W
----
F
I
V
T
-
C
L
A
I
L
--
L
A
-----
Q
N
I
E
Q
------------
F
T
--
L
L
R
F
L
Q
G
------
I
--
S
-----
L
C
F
I
G
A
V
G
Y
A
A
I
R
E
S
F
E
E
--
A
V
C
I
K
-----
I
T
A
---
L
-------
M
A
N
V
A
L
I
A
P
L
L
G
P
----
L
V
G
A
A
-
W
-----
I
H
-----------
V
----
L
P
W
E
G
M
F
V
L
F
A
A
L
---
A
A
I
S
F
F
G
L
Q
R
A
M
P
E
T
-
A
T
R
I
G
E
K
L
S
L
K
E
L
G
R
D
Y
K
L
V
L
K
N
G
R
F
V
A
G
A
L
A
L
G
F
V
S
L
P
L
L
--
A
W
I
A
Q
S
--
P
I
I
I
I
T
G
E
Q
L
S
------
S
Y
--------
E
Y
G
L
L
Q
V
P
----
I
F
G
------
A
L
I
A
G
N
L
L
L
-
A
R
L
T
S
R
R
T
V
-
R
S
L
I
---
I
M
G
G
W
P
I
M
I
G
L
L
V
A
A
A
A
T
V
I
----------
S
S
H
A
-------
Y
L
W
M
T
A
G
L
S
I
Y
A
F
G
I
G
L
A
N
A
---
G
L
V
R
L
T
L
F
-
A
S
D
M
S
K
G
T
V
S
A
A
M
G
M
L
-----
Q
M
L
I
F
--
T
V
G
I
E
-----------
I
S
K
H
A
W
L
N
G
G
N
G
L
F
N
L
-
F
N
-----------
L
V
-
N
-
G
I
L
W
L
S
------------
L
M
V
I
F
-
L
K
-------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
42.44
26%
-127
- C3 -
4ZOW
1
?
A:
[12-108]
--------------------------------------------------------------------------------------------------------------------
C
L
V
L
Y
E
-----
F
S
T
Y
I
G
N
D
M
I
Q
P
G
M
L
A
V
V
E
Q
Y
QAGI
D
---------
W
-
V
P
T
S
M
T
---
A
Y
L
----------------
A
G
G
M
F
L
Q
W
L
L
G
P
L
S
D
R
I
G
R
R
------
P
------
V
M
L
A
G
V
V
W
----
F
I
V
T
-
C
L
A
I
L
--
L
A
-----
Q
N
I
E
Q
------------
F
T
--
L
L
R
F
L
Q
G
------
I
--
S
-----
L
C
F
I
G
A
V
G
Y
A
A
I
R
E
S
F
E
E
--
A
V
C
I
K
-----
I
T
A
---
L
-------
M
A
N
V
A
L
I
A
P
L
L
G
P
----
L
V
G
A
A
-
W
-----
I
H
-----------
V
----
L
P
W
E
G
M
F
V
L
F
A
A
L
---
A
A
I
S
F
F
G
L
Q
R
A
M
P
E
T
-
A
T
R
I
G
E
K
L
S
L
K
E
L
G
R
D
Y
K
L
V
L
K
N
G
R
F
V
A
G
A
L
A
L
G
F
V
S
L
P
L
L
--
A
W
I
A
Q
S
--
P
I
I
I
I
T
G
E
Q
L
S
------
S
Y
--------
E
Y
G
L
L
Q
V
P
----
I
F
G
------
A
L
I
A
G
N
L
L
L
-
A
R
L
T
S
R
R
T
V
-
R
S
L
I
---
I
M
G
G
W
P
I
M
I
G
L
L
V
A
A
A
A
T
V
I
----------
S
S
H
A
-------
Y
L
W
M
T
A
G
L
S
I
Y
A
F
G
I
G
L
A
N
A
---
G
L
V
R
L
T
L
F
-
A
S
D
M
S
K
G
T
V
S
A
A
M
G
M
L
-----
Q
M
L
I
F
--
T
V
G
I
E
-----------
I
S
K
H
A
W
L
N
G
G
N
G
L
F
N
L
-
F
N
-----------
L
V
-
N
-
G
I
L
W
L
S
------------
L
M
V
I
F
-
L
K
-------------------------------------------------------------------------------------------------