@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 : S2611_HUMAN: (2015-12-10 )
MPSSVTALGQARSSGPGMAPSACCCSPAALQRRLPILAWLPSYSLQWLKMDFVAGLSVGLTAIPQALAYAEVAGLPPQYGLYSAFMGCFVYFFLGTSRDVTLGPTAIMSLLVSFYTFHEPAYAVLLAFLSGCIQLAMGVLRLGFLLDFISYPVIKGFTSAAAVTIGFGQIKNLLGLQNIPRPFFLQVYHTFLRIAETRVGDAVLGLVCMLLLLVLKLMRDHVPPVHPEMPPGVRLSRGLVWAATTARNALVVSFAALVAYSFEVTGYQPFILTGETAEGLPPVRIPPFSVTTANGTISFTEMVQDMGAGLAVVPLMGLLESIAVAKAFASQNNYRIDANQELLAIGLTNMLGSLVSSYPVTGSFGRTAVNAQSGVCTPAGGLVTGVLVLLSLDYLTSLFYYIPKSALAAVIIMAVAPLFDTKIFRTLWRVKRLDLLPLCVTFLLCFWEVQYGILAGALVSLLMLLHSAARPETKVSEGPVLVLQPASGLSFPAMEALREEILSRALEVSPPRCLVLECTHVCSIDYTVVLGLGELLQDFQKQGVALAFVGLQVPVLRVLLSADLKGFQYFSTLEEAEKHLRQEPGTQPYNIREDSILDQKVALLKA
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....-...560--.-...-----..---.-..570.......580.......590.-----......600....------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-----------------------------MPS
S
V
T
A
L
GQARSSGPGMAPSA-----------CCC
S
P
A
A
L
Q
RRL
P
I
L
A
WLP--------SYS
L
Q
W
L
---
K
M
D
F
----------------
V
A
G
L
S
------
V
G
L
T
---
A
I
P
Q
A
L
A
Y
A
E
----VAGLPP--Q
Y
G
L
Y
S
A
F
M
----
G
C
F
V
Y
F
F-----L-GTSRDVTL
G
P
T
--------------------
A
I
M
S
L
L
V
S
-
F
Y
-TFH
E
P
A
-
Y
A
V
L
L
A
F
L
S
G
--
C
I
Q
-----
L
A
M
G
V
L
----
R
L
G
F
L
L
D
F
IS
Y
P
V
I
----K-GFTS
A
A
A
V
T
I
G
F
G
Q
I
K
N
L
LGL---Q--NI
P
R
P
F
F
L
---
Q
V
Y
H
T
F
L
R
I
A
---
E
T
RV
G
D
A
-----------
V
L
G
L
V
C
----
M
L
L
L
L
V
L
K
L
M
R
DHVPP----------VH--PEMP--PG
V
R
LSR
G
L
V
W
A
ATTA------------R-------N
A
L
V
V
S
F
A
A
L
V
A
Y
S
F
E
-VTGY
Q
P
-
F
I
L
TGETA-E-GLPPVRIPP
F
S
V
TTANG-------------------
T
I
-
S
F
T
E
M
V
Q
D
MG------A
G
L
A
V
V
P
L
M
-----
G
L
L
E
S
I
A
V
A
K
A
F
ASQN
N
----
Y
R
------ID-------ANQE
L
L
A
I
G
L
T
N
M
L
G
S
L
------
V
SSYPVTGSFGR
T
A
VNAQSGVCTP--A
G
G
L
V
T
G
-
V
L
V
L
L
---------
S
L
D
Y
--
L
T
S
L
F
---
Y
----YI
P
K
S
A
L
A
A
V
I
I
-------
M
A
V
A
P
L
F
D
T
K
---
I
F
R
T
L
W
R
V
K
R-------L
D
L
L
P
L
C
V
-----------
T
F
L
-
L
C
F
-----------
W
E
--------------
V
-------------------
Q
Y
G
I
L
-
A
G
A
L
--------------
V
S
L
L
M
----
L
--
L
H
SA-----ARPETKVSEG
P
V
L
V
L
QPA---SGLS
F
--
P
A
M
E
A
-----
L
R
E
E
--
I
L
S
R
A
LE--------------------------------------V-S---PP-
R
C
L
V
L
E
CTHVCS-I
D
Y
T
V
V
L
G
L
G
E
L
L
Q
D
F
--
Q
--K-----QG
V
A
L
A
F
V
GL
Q
V
P
V
L
-
R
V
L
L
----
S
-ADL-----KG---
F
-
Q
Y
F
S
T
L
E
E
A
E
K
H
L
R
QEPGTQPYNIR
E
-----
D
S
I
L
D
Q
K
V
A
L
LKA------------
24
Fugue
89.11
24%
-117
- C3 -
5DA0
2
?
A:
[14-484]
--------------------------------------------------------------------------------
Q
--------
R
E
W
F
A
N
P
---
R
K
D
V
----------------
L
A
G
I
V
------
V
A
L
A
---
L
I
P
E
A
I
A
F
S
I
----
I
A
G
V
D
P
--
Q
V
G
L
Y
A
S
F
I
----
I
A
L
I
T
A
F
-----
L
-
G
G
R
P
G
M
I
S
A
A
T
--------------------
G
A
M
A
L
L
M
T
-
G
L
V
K
D
H
G
I
Q
-
Y
L
F
A
A
T
V
L
T
G
--
V
L
Q
-----
V
V
F
G
W
A
----
K
L
A
R
Y
L
K
F
V
P
R
S
V
M
----
V
-
G
F
V
N
A
L
A
I
L
I
F
M
A
Q
L
P
Q
F
V
G
---------------------
A
N
W
Q
M
Y
A
---
M
V
A
A
G
L
A
-----------
I
I
Y
L
L
-------------------
P
L
----------
V
F
--
K
A
M
P
----------------
S
A
------------
L
-------
V
A
I
V
V
L
T
V
V
A
V
V
T
G
A
D
-
V
K
T
V
G
D
-
M
---
G
T
L
P
-
T
-
A
L
P
H
F
Q
F
P
Q
V
P
L
T
----------------------------
F
E
T
L
A
I
I
F
------
P
V
A
L
T
L
S
L
V
-----
G
L
L
E
S
L
L
T
A
Q
L
I
D
E
R
T
D
----
T
T
------
S
D
-------
K
N
V
E
S
R
G
Q
G
V
A
N
I
V
T
G
F
------
F
G
G
M
A
G
C
A
M
I
G
Q
S
M
I
N
V
T
S
G
G
R
G
R
--
L
S
T
F
V
A
G
-
A
F
L
M
V
---------
L
I
L
A
--
L
Q
P
L
L
---
V
----
Q
I
P
M
A
A
L
V
A
V
M
M
-------
V
V
A
I
S
T
F
D
W
G
---
S
L
R
--
F
P
K
G
E
-------
T
V
V
M
L
A
T
V
-----------
A
V
T
-
V
F
T
-----------
H
D
--------------
L
-------------------
S
L
G
V
L
-
I
G
V
V
--------------
L
S
A
L
F
----
F
--
A
R
K
V
SQL
S
Q
V
T
P
V
D
E
V
D
G
T
R
T
Y
R
V
R
-----
G
Q
L
F
F
--
V
S
T
H
D
-----
F
L
H
Q
--
F
D
F
T
-------------------------------------------
H
---
P
A
-
R
R
V
V
I
D
L
S
D
A
H
F
-
W
D
G
S
A
V
G
A
L
D
K
V
M
L
K
F
--
M
--
R
-----
Q
G
T
S
V
E
L
R
G
L
-------------------------------------
N
A
A
S
A
T
L
V
E
R
L
---------------------------------------
29
Fugue
72.99
16%
-103
- C2 -
4UIR
2
OLHYD_ELIME
A:
[2-646]
-------NPITSKF
D
K
V
L
N
A
SSEYGHVNH
E
P
D
S
-
S
K
E
Q
Q
R
N
T
P
Q
K
S
M
P
F
S
D
--------------
Q
I
G
N
Y
Q
R
N
K
G
I
P
V
Q
S
Y
--------
D
N
S
K
I
Y
I
---
I
G
S
G
----------------
I
A
G
M
S
------
A
A
Y
Y
---
F
I
R
D
G
H
V
P
A
K
N
I
T
F
L
E
Q
L
H
I
--
D
G
G
S
L
D
G
A
G
----
N
P
T
D
G
Y
I
-----
I
-
R
G
G
R
E
M
D
M
T
Y
E
--------------------
N
L
W
D
M
F
Q
D
-
I
P
-
A
L
E
M
P
A
P
Y
S
V
L
D
E
Y
R
L
I
--
N
D
N
D
S
N
Y
S
K
A
R
L
I
N
----
N
K
G
E
I
K
D
F
S
K
F
G
-
L
----
N
-
K
M
D
Q
L
A
I
I
R
L
L
L
K
N
K
E
E
L
D
D
L
TIE
D
--
Y
F
S
E
S
F
L
K
---
S
N
F
W
T
F
W
R
T
M
F
AF
E
N
W
H
S
L
L
-----------
E
L
K
L
Y
M
----
H
R
F
L
H
A
I
D
G
L
N
D
L
S
S
L
----------
V
F
--
P
K
Y
N
--
Q
Y
D
T
F
---
V
T
P
L
R
K
F
L
------------
Q
-------
E
K
G
V
N
I
H
L
N
T
L
V
K
D
L
D
-
I
H
I
N
T
E
G
K
V
V
E
G
I
I
T
-
E
Q
D
G
K
E
V
K
I
P
V
G
K
N
D
Y
V
I
V
-------------------
T
T
G
S
M
T
E
D
T
F
Y
G
N
------
N
K
T
A
P
I
I
G
I
DNSTS
G
Q
S
A
G
W
K
L
W
K
N
L
A
A
K
S
------
E
------
I
F
-------
G
K
P
E
K
F
C
---
S
N
I
E
K
S
A
------
W
E
S
A
T
L
T
C
K
P
S
A
L
I
D
K
L
K
E
Y
S
V
N
D
PY
S
G
K
T
V
T
G
G
I
I
T
I
T
---------
D
S
N
W
--
L
M
S
F
T
---
C
N
RQP
H
F
P
E
Q
P
D
D
V
L
V
L
-------
W
V
Y
A
L
F
M
D
K
E
GNY
I
K
K
T
M
L
E
C
T
G
-------
D
E
I
L
A
E
L
C
-----------
Y
H
L
--
G
I
-----------
E
D
--------------
Q
-------------------
L
E
N
V
Q
-
K
N
T
I
--------------
V
R
T
A
F
----
M
PY
I
T
S
M
-----
F
M
P
R
A
K
-
G
D
R
P
R
V
V
P
E
G
C
---
K
N
L
G
L
V
G
Q
F
V
E
T
-----
N
N
D
V
--
V
F
T
M
E
S
S
--------------------------------------
V
-
R
---
T
A
-
R
I
A
V
Y
K
L
L
N
L
-----
N
K
Q
V
P
D
I
N
P
L
Q
Y
D
I
--
R
--
H
-----
L
L
K
A
A
K
T
L
N
D
D
K
P
F
V
G
E
G
L
L
----
R
-
K
V
L
-----
K
G
---
T
-
Y
F
E
H
V
L
P
A
G
E
E
H
-------
E
S
F
I
A
E
H
-----
V
N
K
F
R
E
W
V
K
G
I
R
G
------------
32
Fugue
71.62
18%
-124
- C5 -
5AGA
1
DPOLQ_HUMAN
A:
[3-827]
-DKLLLANWGLP
K
A
V
L
E
K
Y
H
SFGVKKMF
E
W
Q
A
E
C
L
L
L
G
Q
V
L
E
-
G
K
N
L
V
Y
S
A
P
T
SAG
K
T
L
V
A
E
L
L
I
L
K
R
V
L
E
M
R
K
K
A
L
F
I
L
P
F
V
S
V
A
K
E
K
K
Y
Y
L
Q
S
L
---
F
Q
E
V
G
I
K
V
D
G
Y
M
GSTSPSRH
F
S
S
L
D
------
I
A
V
C
---
T
I
E
R
A
N
G
L
I
N
----
R
L
I
E
E
N
--
K
M
D
L
L
G
M
V
V
----
V
D
E
L
H
M
L
-----
G
-
D
S
H
R
------
G
--------------------
Y
L
L
E
L
L
L
T
-
K
I
-
C
Y
I
T
R
K
-
S
A
S
C
Q
A
D
S
N
A
V
Q
I
V
G
-----
M
S
A
T
L
P
----
N
L
E
L
V
A
S
W
L
N
A
E
L
Y
H
T
DF
R
-
P
V
P
L
L
E
S
V
K
V
G
N
S
I
Y
D
S
S
M
K
L
---
V
--
R
E
F
E
P
M
L
Q
V
K
G
D
E
D
H
V
V
S
L
C
Y
---
E
T
I
C
D
N
H
-----------
S
V
L
L
F
C
PS
K
K
W
C
E
K
L
A
D
I
I
A
R
E
F
Y
N
L
----------
H
H
QA
S
E
C
P
--
P
V
I
L
E
Q
K
E
L
L
E
V
M
D
Q
L
------------
R
R
LPSGLD
S
V
L
Q
K
T
V
P
W
G
V
A
F
H
H
A
G
L
T
F
E
E
R
-
D
I
I
E
G
A
F
R
-
Q
-
G
L
I
R
V
L
A
A
T
S
T
L
S
S
G
V
N
L
P
A
R
R
V
I
I
RTPIFGGRPLD
I
L
-
T
Y
K
Q
M
V
G
R
A
G
RKGVDT
V
G
E
S
I
L
I
C
K
-----
N
S
E
K
S
K
G
I
A
L
L
Q
G
S
L
K
P
----
V
R
SCLQRG
E
E
-------
V
T
G
S
M
I
R
A
I
L
E
I
I
V
G
G
V
------
A
S
T
S
Q
D
M
H
T
Y
A
A
C
T
F
L
A
A
S
-------
M
G
A
I
E
A
C
-
V
M
W
L
L
---------
E
N
E
F
--
I
Q
S
T
E
E
G
K
V
----
Y
H
P
T
H
L
G
S
A
T
L
S
-------
S
S
L
S
P
A
D
T
L
D
---
I
F
A
D
L
Q
R
A
M
K
GFVLEND
L
H
I
L
Y
L
V
T
PMFEDWTTID
W
Y
R
F
-
F
C
L
-----------
W
E
K
LP
T
S
M
K
R
V
A
E
L
V
G
V
-------------------
E
E
G
F
L
-
A
R
C
V
K
GKVVARTERQHR
Q
M
A
I
H
K
----
R
--
F
F
T
S
-----
L
V
L
L
D
L
I
S
E
V
P
L
R
E
I
N
Q
K
---
Y
G
C
N
R
--
G
Q
I
Q
S
-----
L
Q
Q
S
A
A
V
Y
A
G
M
I
T
--------------------------------------
V
-
F
---
S
N
-
R
L
G
W
H
N
M
E
L
L
L
S
Q
F
Q
K
R
L
T
F
G
I
Q
R
E
L
C
D
L
--
V
--
R
VSLLN
A
Q
R
A
R
V
L
Y
A
S
G
F
H
T
V
-
A
D
L
A
----
R
-
A
N
I
-----
V
E
---
V
-
E
V
I
L
K
N
A
V
P
F
K
S
A
R
K
E
A
V
E
E
R
R
N
M
R
T
I
W
V
T
G
R
K
G
L
T
E
R
E
A
A
A
L
I
V
E
E
A
R
M
I
L
Q
Q
D
L
30
Fugue
67.82
19%
-102
- C5 -
4LZ6
-
?
A:
[1-446]
-----------------------------------
Q
K
Q
Q
S
E
R
L
G
T
E
A
I
P
K
-------------------
L
L
R
S
L
S
I
P
A
M
I
G
--------
M
F
V
M
A
L
Y
---
N
V
V
D
----------------
T
I
F
I
S
------
Y
A
V
G
IEG
V
A
G
V
T
I
A
F
P
I
----
M
M
I
M
M
S
--
M
A
G
A
L
G
I
G
G
----
A
S
V
I
S
R
R
-----
L
-
G
E
R
R
G
-
E
E
A
N
Q
--------------------
V
F
G
N
I
L
T
V
-
I
L
-
V
L
S
V
I
G
-
F
I
S
A
F
T
L
L
G
P
--
A
L
Q
-----
L
----------------
F
G
A
T
S
V
T
----
Q
-
G
Y
A
T
D
Y
L
F
P
I
L
L
G
---------------
S
I
F
F
F
F
A
---
F
A
A
N
N
I
I
R
S
E
-------
G
N
A
-----------
T
F
A
M
V
T
----
M
I
V
P
A
V
L
N
I
L
L
D
V
L
F
I
----------
F
G
--
L
N
M
G
-----------
V
L
G
A
S
I
A
------------
T
-------
V
I
A
Q
A
S
V
T
G
L
V
L
R
Y
F
-----------
L
T
G
K
S
T
-
L
-
S
L
H
W
-----------------------------------
S
D
L
R
M
K
G
S
V
I
------
K
E
V
C
L
V
G
L
P
-----
A
F
V
Q
Q
S
S
A
S
L
M
M
I
A
I
N
S
----
M
L
------
L
R
-------
F
G
S
D
F
Y
-----------------------
V
G
V
F
G
L
V
Q
-
R
I
M
M
F
V
M
M
P
--
M
M
G
I
M
Q
A
-
M
Q
P
I
V
---------
G
Y
N
Y
--
G
A
K
Q
Y
---
S
----
R
L
R
E
T
V
M
L
G
F
K
V
-------
A
T
I
--------------------------------------------------------------------------------------------------------
F
-
S
I
G
I
--------------
F
A
L
L
M
----
L
--
F
P
E
A
-----
L
L
R
V
F
T
A
D
R
E
V
I
Q
A
G
V
S
A
---
M
H
I
L
F
--
C
V
T
F
L
-----
I
G
A
Q
--
I
V
A
G
G
L
Y
--------------------------------------
Q
-
S
L
GK
P
K
-
Q
A
L
I
L
S
L
S
R
Q
I
I
-
F
L
I
P
L
V
L
I
L
P
H
I
---
F
--
G
--
L
-----
S
G
V
W
W
A
F
------------
P
----
I
-
A
D
V
-----
L
S
---
F
-
I
L
T
V
V
L
L
Y
R
--------------------------
D
R
N
V
F
F
L
K
-------------
31
Fugue
66.46
17%
-109
- C5 -
4U5B
3
GRIA2_RAT
A:
[1-804]
N
S
I
Q
I
G
G
L
F
P
RGAD
Q
E
Y
S
A
F
R
V
G
M
V
Q
F
ST
S
E
F
R
L
T
P
H
I
D
N
L
E
V
A
N
S
F
A
V
T
N
-----------
A
F
C
S
Q
F
S
-
R
G
V
Y
A
I
F
G
F
Y
D
--------
K
K
S
V
N
T
I
----
T
S
F
----------------
C
G
T
L
H
------
V
S
F
I
T
P-
S
F
P
T
D
G
T
H
P
F
----
V
I
Q
M
R
P
DL
K
G
A
L
L
S
L
I
E
Y
Y
QW
D
K
F
A
Y
L
Y
D
SDRG
L
-
S
T
L
Q
A
V
L
D
S
A
A
E
K
K
W
Q
V
T
A
I
N
VGNINNDKKD
E
T
Y
R
S
L
F
Q
-
D
L
-
E
L
K
G
E
R
-
R
V
I
L
D
C
E
R
D
K
--
V
N
D
-----
I
V
D
Q
V
I
----
T
I
G
K
H
V
K
G
Y
H
Y
I
I
A
----
N
L
G
F
T
D
G
D
L
L
K
I
Q
F
G
G
A
-
E
V
S
G
F
---
Q
IV
D
Y
D
D
S
L
V
S
---
K
F
I
E
R
W
S
T
L
E
---
E
K
E
Y
P
G
A
HTATIK
Y
T
S
A
L
T
Y
D
A
V
Q
----
V
M
T
E
A
F
R
N
L
R
K
Q
R
I
E
I
SRRGNAGDCL
A
N
--
P
A
V
P
W
G
Q
G
V
E
I
E
R
A
L
K
Q
V
Q
V
E
G
LS
G
N
I
K
F
D
QNGK
R
-------
I
N
Y
T
I
N
I
M
E
L
K
T
N
G
P
R
-
K
I
G
Y
W
S
---
E
V
D
K
M
V
-
V
-
T
L
T
E
E
Q
K
T
V
V
V
T
T
I
L
E
S
-------------------
P
Y
-
V
M
M
K
K
N
H
E
M
L
------
E
G
N
E
R
Y
E
-------
G
Y
C
V
D
L
A
A
E
I
A
K
H
C
G
F
K
----
Y
K
------
L
T
I
V
GDGKY
G
A
R
D
A
D
T
K
I
W
D
G
M
V
G
E
L
V
Y
GKAD
I
A
I
A
P
L
T
I
T
L
V
R
E
E
V
I
D
F
S
K
P
F
-------
M
S
L
G
-
I
S
I
M
I
K
K
P
Q
KSKPG
V
F
S
F
--
L
D
P
L
A
---
Y
----
E
I
W
M
A
I
V
F
A
Y
I
L
-------
V
S
V
V
L
F
L
S
A
R
---
I
V
A
G
V
W
W
F
F
T
-------
L
I
I
I
S
S
Y
T
-----------
A
N
L
-
A
T
F
-----------
L
T
--------------
V
E
R
MVSPIES
A
E
D
L
S
K
Q
TE
I
A
Y
G
T
L
D
S
G
S
T
--------------
K
E
F
F
R
R
SKI
A
--
V
F
D
K
-----
M
W
T
Y
M
R
S
A
E
P
S
V
F
V
R
T
T
A
---
E
G
V
A
R
--
V
R
K
S
K
GK
Y
A
Y
L
L
E
S
--
T
M
N
E
Y
I
E
--------------------------------------
Q
-
R
---
K
P
-
C
D
T
M
K
V
G
G
N
L
D
S
-
K
G
Y
G
I
A
T
P
K
G
S
S
L
--------
G
-----
T
P
V
N
L
A
V
L
K
L
S
E
----
Q
G
V
L
----
D
-
K
L
K
-----
N
K
---
W
-
W
Y
D
K
G
E
C
G
A
S
A
L
S
L
S
N
V
A
G
V
F
Y
I
L
V
G
-----
G
L
G
L
A
M
L
V
A
L
I
E
F
------------
11
HHSearch
57.11
19%
-120
- C3 -
2KA5
-
Y1081_THEMA
A:
[19-124]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
D
D
V
V
I
L
M
P
N
K
---
E
L
-
N
I
--
E
N
A
H
L
-----
F
K
K
W
--
V
F
D
E
F
L
---------------------------------------
N
-
K
---
G
Y
-
N
K
I
F
L
V
L
S
D
V
E
S
-
I
D
S
F
S
L
G
V
I
V
N
I
L
K
S
I
--
S
--
S
-----
S
G
G
F
F
A
L
V
S
P
N
E
K
V
E
-
R
V
L
S
----
L
-
T
N
L
D----
R
I
---
V
-
K
I
Y
D
T
I
S
E
A
M
E
E
V
R
R
K
----------------------------------------
9
HHSearch
55.10
14%
-110
- C3 -
3QE7
2
URAA_ECOLI
A:
[13-410]
----------------------------------------------------------------------------------------------
P
L
---
L
Q
T
I
----------------
P
L
S
L
Q
H
L
F
A
M
F
G
A
T
V
---
L
V
P
V
L
F
H
----------
I
N
P
--
A
T
V
L
L
F
N
G
I
----
G
T
L
L
Y
L
F
-----
I
C
K
G
K
I
P
A
Y
L
G
S
S
--------------------
F
A
F
I
S
P
V
L
-
L
L
-
L
P
L
G
Y
E
-
V
A
L
G
G
F
I
M
C
G
--
V
L
F
-----
C
L
V
S
F
I
V
K
K
A
G
T
G
W
L
D
V
L
F
P
P
A
A
M
----
G
-
A
I
V
A
V
I
G
L
E
L
A
G
V
A
A
G
M
A
G
L
L
---
P
--
A
-
E
G
----------------
Q
---
T
P
D
S
K
T
I
-----------
I
I
S
I
T
T
----
L
A
V
T
V
L
G
S
V
L
F
R
G
F
L
----------------------------------
A
I
I
------------
P
-------
I
L
I
G
V
-
L
V
G
Y
A
L
S
F
A
M
-
G
I
--
V
D
-
T
T
P
I
I
N
A
H
W
F
-
A
L
P
T
L
Y
T
P
R
F
E
-----------------------------
W
-----
F
A
I
------
L
T
I
L
P
A
A
L
V
-----
V
I
A
E
H
V
G
H
L
V
V
T
A
N
I
V
K
KDLL
R
D
------
P
G
-------
L
H
R
S
M
F
A
N
G
L
S
T
V
I
S
G
F
------
F
G
S
T
P
N
T
T
Y
G
E
N
I
G
V
M
A
I
T
R
V
Y
S
T
--
W
V
I
G
G
A
A
-
I
F
A
I
L
---------
L
S
C
V
G
K
L
A
A
A
I
---
Q
----
M
I
P
L
P
V
M
G
G
V
S
L
L
L
Y
G
V
I
G
A
S
G
I
R
V
L
I
E
S
---
K
V
D
-
Y
N
--
K
A
-------
Q
N
L
I
L
T
S
V
-----------
I
L
I
I
G
V
S
GAKVNIGAAEL
K
G
--------------
M
-------------------
A
L
A
T
I
-
V
G
I
G
--------------
L
S
L
I
F
----
K
--
L
I
S
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
HHSearch
54.70
15%
-117
- C3 -
1TH8
-
SP2AA_GEOSE
B:
[10-114]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
Q
D
V
L
I
V
R
L
S
G
---
E
L
-
D
H
--
H
T
A
E
E
-----
L
R
E
Q
--
V
T
D
V
L
E
N
----------------------------------------
R
---
A
I
-
R
H
I
V
L
N
L
G
Q
L
T
F
-
M
D
S
S
G
L
G
V
I
L
G
R
Y
K
Q
I
--
K
--
N
-----
V
G
G
Q
M
V
V
C
A
V
S
P
A
V
K
-
R
L
F
D
----
M
-
S
G
L
F
----
K
I
---
I
-
R
V
E
A
D
E
Q
F
A
L
Q
A
L
G
V
A
----------------------------------------
17
HHSearch
53.24
15%
-100
- C3 -
3T6O
-
?
A:
[12-120]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
A
Q
V
T
V
I
S
F
P
A
VFQ
R
L
-
R
E
--
T
E
V
E
Q
-----
I
A
S
T
--
F
L
A
A
M
Q
G
----------------------------------------
A
---
Q
P
-
R
K
V
L
I
D
L
E
G
V
E
F
-
F
G
S
S
F
I
E
L
L
V
R
G
W
K
R
I
--
K
--
E
D----
Q
Q
G
V
F
A
L
C
S
V
S
P
Y
C
V
-
E
V
L
Q
----
V
-
T
H
I
D----
E
V
---
W
-
P
R
Y
S
T
K
Q
E
A
L
L
A
M
A
------------------------------------------
26
Fugue
52.68
15%
-112
- C3 -
3LLO
1
A:
[1-143]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
-------------------
P
S
Y
T
V
-
L
G
Q
L
--------------
P
D
T
D
V
----
Y
--
I
D
I
D
-----
A
Y
E
E
V
K
E
I
P
G
-
I
K
I
F
Q
I
N
---
A
P
I
Y
Y
--
A
N
S
D
L
-----
Y
S
S
A
--
N
I
----------------------------------------------------
H
T
V
I
L
D
F
T
Q
V
N
F
-
M
D
S
V
G
V
K
T
L
A
G
I
V
K
E
Y
--
G
--
D
-----
V
G
I
Y
V
Y
L
A
G
C
S
A
Q
V
V
-
N
D
L
T
----
S
-
N
R
F
FENPA
L
K
---
E
-
L
L
F
H
S
I
H
D
A
V
L
G
S
Q
V
R
E
A
--------------------------------------
27
Fugue
52.47
15%
-80
* C3 *
2VY9
-
?
A:
[6-119]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
I
L
K
V
D
D
Y
W
V
V
A
I
E
---
E
T
L
H
D
--
Q
S
V
I
Q
-----
F
K
E
E
--
L
L
H
N
I
T
G
----------------------------------------
V
---
A
G
-
K
G
L
V
I
D
I
S
A
L
E
V
-
V
D
S
F
V
T
R
V
L
I
E
I
S
R
L
A
--
E
--
L
-----
L
G
L
P
F
V
L
T
G
I
K
P
A
V
A
-
I
T
L
T
----
E
M
G
L
D
-----
L
R
---
G
M
A
T
A
L
N
L
Q
K
G
L
D
K
L
K
N
L
A
R
M
-------------------------------------
16
HHSearch
52.17
21%
-87
- C3 -
1SBO
-
Y1442_THEMA
A:
[11-110]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
D
D
K
A
I
V
R
V
Q
G
---
D
I
-
D
A
--
Y
N
S
S
E
-----
L
K
E
Q
--
L
R
N
F
I
S
T
----------------------------------------
T
---
S
K
-
K
K
I
V
L
D
L
S
S
V
S
Y
-
M
D
S
A
G
L
G
T
L
V
V
I
L
K
D
A
--
K
--
I
-----
N
G
K
E
F
I
L
S
S
L
K
E
S
I
S
-
R
I
L
K
----
L
-
T
H
L
D
----
K
I
---
F
-
K
I
T
D
T
V
E
E
A
-----------------------------------------------
15
HHSearch
50.84
17%
-108
- C3 -
3NY7
2
?
A:
[15-117]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
D
D
V
L
V
L
R
V
I
G
---
P
L
-
F
F
--
A
A
A
E
G
-----
L
F
T
D
--
L
E
S
R
L
E
---------------------------------------------
G
K
-
R
I
V
I
L
K
W
D
A
V
P
V
-
L
D
A
G
G
L
D
A
F
Q
R
F
V
K
R
L
--
P
--------
E
G
C
E
L
R
V
C
N
V
E
F
Q
P
L
-
R
T
M
A
----
R
-
A
G
I
Q
----
P
I
PGR
L
-
A
F
F
P
N
R
R
A
A
M
A
D
L
-------------------------------------------
10
HHSearch
49.43
13%
-105
- C3 -
1H4X
1
SP2AA_LYSSH
A:
[10-112]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
E
T
V
V
I
R
L
F
G
---
E
L
-
D
H
--
H
A
V
E
Q
-----
I
R
A
K
--
I
S
T
A
I
F
Q
----------------------------------------
G
---
A
V
-
T
T
I
I
W
N
F
E
R
L
S
F
-
M
D
S
S
G
V
G
L
V
L
G
R
M
R
E
L
--
E
--
A
-----
V
A
G
R
T
I
L
L
N
P
S
P
T
M
R
-
K
V
F
Q
----
F
-
S
G
L
G----
P
W
---
M
--
M
D
A
T
E
E
E
A
I
D
R
V
R
------------------------------------------
19
HHSearch
44.61
19%
-51
- C3 -
3AGD
-
?
A:
[324-447]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
D
R
V
F
L
H
L
Q
G
---
V
I
-
R
F
--
G
G
A
E
A
-----
V
L
D
A
--
L
T
D
L
R
T
-GWDAAVY
P
R
W
Q
E
A
A
A
D
R
A
A
L
S
A
A
T
GGGA
V
H
E
A
A
A
A
A
AN
D
-
G
---
P
I
-
R
T
V
V
L
N
L
A
R
V
D
R
-
I
D
D
V
G
R
R
L
I
A
E
G
V
R
R
L
--
Q
--
A
-----
D
G
V
R
V
E
V
E
D
P
E
R
I
L
P
-
L
--------------------------------------------------------------------------------
20
HHSearch
43.50
15%
-51
- C3 -
2OOK
5
?
A:
[19-126]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
F
F
V
T
L
K
A
I
G
---
T
L
-
T
H
--
E
D
Y
L
V
-----
I
T
P
M
--
L
E
G
A
L
S
Q
V-------------------------------------
D
-
Q
---
P
K
-
V
S
L
F
L
D
A
T
E
L
D
G
-
W
D
L
R
A
A
--
W
D
D
L
K
L
G
L
KH
K
--
S
-----
E
F
E
R
V
A
I
L
G
N
K
D
W
Q
E
-
W
A
A
K
----
I
-
G
S
W
FIA--
G
E
---
I
-
K
Y
F
E
D
E
D
D
A
L
K
W
L
R
Y
-----------------------------------------
13
HHSearch
43.36
21%
-44
- C3 -
2KLN
-
?
A:
[10-124]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
K
R
V
P
G
L
V
V
Y
R
Y
D
A
---
P
L
-
C
F
--
A
N
A
E
D
-----
F
R
R
R
--
A
L
T
V
V
D
Q
--------------------------------------
D
P
G
---
Q
V
-
E
W
F
V
L
N
A
E
S
N
V
E
-
V
D
L
T
A
L
D
A
L
D
Q
L
R
T
E
L
--
L
--
R
-----
R
G
I
V
F
A
M
A
R
V
K
Q
D
L
R
-
E
S
L
R
----
A
-
A
S
L
L----
D
K
IGE
D
-
H
I
F
M
T
L
P
T
A
V
Q
A
F
R
R
R
----------------------------------------
25
Fugue
42.51
17%
-54
- C3 -
2KLN
-
?
A:
[1-124]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
H
D
I
-----
D
D
Y
P
Q
A
K
R
V
P
G
L
V
V
Y
R
Y
D
---
A
P
L
C
F
--
A
N
A
E
D
-----
F
R
R
R
--
A
L
T
V
V
D
Q
--------------------------------------
D
-
P
---
G
Q
V
E
W
F
V
L
N
A
E
S
N
V
E
-
V
D
L
T
A
L
D
A
L
D
Q
L
R
T
E
L
--
L
--
R
-----
R
G
I
V
F
A
M
A
R
V
K
Q
D
L
R
-
E
S
L
R
A
ASL
L
-
D
K
I
-----
G
E
---
D
-
H
I
F
M
T
L
P
T
A
V
Q
A
F
R
R
R
----------------------------------------
21
HHSearch
39.35
13%
-49
- C3 -
2Q3L
4
?
A:
[19-125]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
F
Y
L
A
F
K
A
V
G
---
K
L
-
T
H
--
E
D
Y
E
Q
-----
M
T
P
L
--
L
E
S
A
L
A
G
--------------------------------------
I
-
K
T--
P
E
-
I
V
A
L
I
D
I
T
E
L
D
G
-
L
S
L
H
A
A
--
W
D
D
L
K
L
G
L
--
K
HG
K
-----
E
F
K
R
V
A
I
I
G
Q
G
E
L
Q
E
-
W
A
T
R
----
V
-
A
N
W
F
T
P--
G
E
---
F
-
K
F
F
E
D
K
R
D
A
L
D
W
L
C
------------------------------------------
1
PsiBlast_PDB
37.65
31%
-113
- C3 -
5DA0
2
?
A:
[14-149]
-------------------------------------------------------------------------------------------
Q
R
E
W
F
AN
P
R
K
D
V
----------------
L
A
G
I
V
------
V
A
L
A
---
L
I
P
E
A
I
A
F
S
I
----
I
A
G
V
D
P
--
Q
V
G
L
Y
A
S
F
I
----
I
A
L
I
T
A
F
-----
L
-
G
G
R
P
G
M
I
S
A
A
T
--------------------
G
A
M
A
L
L
M
T
G
L
V
-
K
D
H
G
I
Q
-
Y
L
F
A
A
T
V
L
T
G
--
V
L
Q
-----
V
V
F
G
W
A
----
K
L
A
R
Y
L
K
F
V
P
R
S
V
M
----
V
-
G
F
V
N
A
L
A
I
L
I
F
M
A
Q
L
P
Q
F
V
G
A
---
N
--
W
Q
M
Y
A
M
V
A
---
A
G
L
A
I
I
Y
L
L
P
---
L
V
F
K
A
M
P
-----------
S
A
L
V
A
I
----
V
V
L
T
V
V
A
V
V
T
G
A
D
V
K
T
----------
V
G
--
D
M
G
T
--
L
P
T
A
L
P
H
F
Q
F
P
Q
V
P
L
T
------------
F
-------
E
T
L
A
I
I
F
P
V
A
L
T
L
S
L
V
-
G
L
L
E
S
L
-
L
T
A
Q
L
I
D
E
-
R
-
T
D
T
T
S
D
K
N
V
E
S
R
G
Q
G
V
A
-------------------
N
I
-
V
T
G
F
F
G
G
M
A
G
------
C
A
M
I
G
Q
S
M
I
-----
N
V
T
S
G
G
R
G
R
L
S
T
F
V
A
G
A
----
F
L
------
M
V
-------
L
I
L
A
L
Q
P
L
L
V
Q
I
P
M
A
A
L
------
V
A
V
M
M
V
V
A
I
S
T
F
D
W
G
S
L
R
F
P
K
G
E
T
--
V
V
M
L
A
T
V
-
A
V
T
V
F
---------
T
H
D
L
--
S
L
G
V
L
---
I
----
G
V
V
L
S
A
L
F
F
A
R
K
-------
V
S
Q
L
S
Q
V
T
P
V
---
D
E
V
D
G
T
R
T
Y
R
-------
V
R
G
Q
L
F
F
V
-----------
S
T
H
-
D
F
L
-----------
H
Q
--------------
F
-------------------
D
F
T
H
P
-
A
R
R
V
--------------
V
I
D
L
S
----
D
--
A
H
F
W
-----
D
G
S
A
V
G
A
L
D
K
V
M
L
K
F
M
R
Q
---
G
T
S
V
E
--
L
R
G
L
N
-----
A
A
S
A
--
T
L
V
E
R
L
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------