@TOME V2.3
(Nov 2016)
Ref.
-
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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 : jhp_0075: (2015-12-12 )
MKSTRIGSKIVMMVCAVVIVISAVMGVIISYKVESVLQSQATELLQKKAQLVSFKIQGIMKRIFMGANTLERFLSDENGAINDTLKRRMLSEFLLANPHVLLVSAIYTNNNERMITAMNMDSKIAYPNTALNENMTNQIHSLKSITRSDPYYKEVNGDKIYGMDITLPLMGKNQNVIGALNFFLNIDAFYTDVVGKKKSNTFLMGKDGRILINPNREIQDKILSAINPDKRVAKAVEYYNQNEAGTLSYHSLSGNTETFLAIQPFDFFEEKGNNGNHWRWAIGKYVNKSLVFKEATNTKFIIITTLILGVLVLAFLVFIIISNLITKRISRVNNTLNDFFNLLNNPKNNHAISLTPPSAYDEIGQMQASINENILKTQESIQADNKAIQNSIEVTNYVENGDFTQEIACVPKNKDLQALRNTINSIIQYFRNQIGADIESLNNALEHYKNLDFTHHIQNPKANMEKALNTLGQEISSMLKASLGFANALNHESKDLKTCVDNLTKTAHKQERSLKNTTQSLEEITNIITMIDSKSQEMISQGEDIKSVVDMIRDIADQTNLLALNAAIEAARAGEHGRGFAVVADEVRKLAERTQKSLSEIEANINILVQSIADNAESIKMQNKGVENIHNSINALQQDVQDNLTIANHSLQVSTKIDGISQDILEDVSKKKF
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.-----......610----------------------------...---....------------------620..------......---630-----.-........640---.......---650........---660.......670.------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
--------MKSTRI
G
S
K
I
V
M
M
V
C
A
V
V
I
V
I
S
A
V
M
G
V
I
I
S
Y
K
V
E
S
V
L
Q
S
Q
A
T
E
L
L
Q
K
K
A
Q
-------
L
V
S
F
K
I
Q
G
I
M
K
R
I
FM
G
---------------------
A
N
T
L
E
R
F
LSD-------ENGA-----
I
-----
N
------
D
T
L
K
R
R
M
L
-------------------
S
E
F
L
LANP
H
-----
V
L
L
V
S
A
I
-YTNNN
E
R
-------------
M
I
T
A
------------------MN--M-----------DSKI-A----YPNTALNE
N
M
T
N
----------
Q
I
H
S
L
--
K
--
S
I
TRSDPYYKEVNG----
D
K
I
----
Y
G
M
------------
D
I
T
L
P
LMGK-NQ
N
V
I
G
A
L
N
F
F
L
N
I
D
A
------
F
Y
T
D
V-V---GKKKSN
T
F
-----
L
MGK---D----
G
----
R
I
L
INPN
R
E
I
-
Q
-
D
K
-
I
-
L
S
AIN---
P
-
D
--
K
R
V
A
K
A
------
V
--
E
Y
----YN-Q----N--------EA-
G
T
L
S
-----
Y
-
H
SLSG-----N
T
E
T
F
L
A
IQ--P
F
D
F
F
E
EKGNNGN
H
W
--
R
W
A
I
G
K
----YV
N
K
S
L
--
V
F
KEATN
T
--------
K
F
I
I
I
T
-----
T
L
I
L
G
V
L
V
L
A
F
L
----
V
F
I
I
I
S
N
----
L
I
T
K
R
I
--
S
R
V
N
N
T
L
N
D
F
F
N
L
L-NNPKNN
H
A
I
S
LTPP
S
A
Y
D
E
I
G
Q
M
Q
A
S
I
N
E
N
I
L
K
T
Q
E
S
IQ-A
D
N
K
A
I
Q
NS------I
E
V
T
N
Y
-VENGDFT
Q
E
I
ACVPKNK
D
L
Q
A
L
R
N
T
I
N
S
I
-
I
Q
Y
F
R
N
QIGA
D
I
E
S
L
N
N
A
L
E
H
YKN-LD
F
T
HHIQNPKA
N
M
E
K
A
L
N
T
L
G
Q
E
I
S
S
M
L
K
A
S
------LGF
A
N
ALNHE
S
K
D
L
K
-----
T
C
V
D
N
L
T
K
T
A
H
K
Q
E
R
S
L
---------
K
N
T
T
-----------------------------
Q
S
L
E
E
------
I
T
N
I
I
T
-----------MIDS
K
S
Q
E
M
I
SQ
G
E
D
I
K
S
V
V
D
M
I
R
D
I
-------A-------D----------QT
N
L
L
A
L
N
A
A
I
E
A
A
-RAGEHGR
G
F
A
V
V
A
D
E
V
R
K
L
A
--------
E
R
----
T
Q
K
S
L
S
E
I
E
A
-----
N
I
N
I
L
V
Q
S
I
----------------------------AD
N
---
A
E
S
I
------------------
K
-
M
Q
N------K
G
V
E
N
I
---
H
-------
N
-
S
I
N
A
L
Q
Q
D
V
QD---N
L
T
I
AN
H
---
S
L
-
Q
V
S
T
KIDG---
I
S
Q
D
I
L
E
D
V
SKKKF------------------------------------------------
38
Fugue
69.47
16%
-6
* C2 *
4RKN
14
MCCA_WOLSU
A:
[43-702]
--------
M
Q
M
T
K
E
A
R
E
I
I
A
H
P
K
G
T
----
K
E
S
R
G
V
I
-
S
L
Q
D
Y
I
V
E
E
Q
A
M
Y
D
W
L
F
K
N
H
P
-------
I
F
T
-
K
Y
G
G
K
T
V
G
K
L
V
V
---------------------
K
D
R
G
E
E
W
I
E
E
-------
G
R
G
N
-----
D
-----
F
------
S
K
A
S
K
R
S
G
-------------------
G
E
-----
G
F
-----
S
S
M
M
Y
R
V
-
A
R
N
S
T
L
Q
-------------
Y
P
N
K
------------------
F
I
--
G
-----------
P
E
K
C
-
G
----
E
C
H
P
A
Q
Y
E
T
W
S
R
----------
S
R
H
A
T
------
T
I
R
F
P
G
E
H
P
E
V
N
N
KLN-
D
P
V
----
F
D
K
DTASILPQGITP
D
V
V
Y
C
T
V
G
H
-
I
R
T
K
F
G
F
F
D
A
W
L
L
R
G
T
------
Y
H
V
E
G
G
L
---
L
K
N
G
T
G
Q
I
-----
V
A
G
G
NQW
Q
----
R
----
T
W
A
L
N
L
S
P
E
V
-
A
-
K
K
-
I
-
K
K
W
V
P
---
D
------
F
P
V
T
------
L
--
E
E
----
Y
G
-
D
----
N
GGY-----
V
R
-
G
L
A
S
-----
Y
-
A
A
K
Y
K
-----
K
S
M
S
F
Q
A
S
T
--
S
Y
------
C
E
V
C
H
P
W
--
K
F
---
D
----
F
K
N
E
S
E
--
F
Y
A
A
L
G
N
A
--------
K
E
L
Q
K
H
-----
T
I
S
K
G
V
S
C
E
E
C
H
GAGG
H
L
E
G
G
S
G
----
L
L
I
S
N
C
--
E
R
C
H
Q
R
F
S
Y
S
P
D
L
M
R
N
N
P
L
N
A
G
K
P
D
L
A
L
S
S
K
F
K
S
M
G
P
G
C
G
S
E
G
S
Q
T
Y
F
T
A
H
Y
E
K
G
M
R
C
A
T
C
H
D
P
------
H
D
V
T
G
N
-
V
T
G
E
K
G
I
K
G
V
S
Y
N
S
E
Q
G
Y
L
S
S
L
----------
Y
S
K
P
K
L
K
K
E
C
T
D
C
H
K
E
Q
A
Y
I
Q
S
-
K
A
D
T
H
-----------
S
K
N
S
C
A
S
C
H
M
P
F
M
M
S
C
------
E
N
F
Y
A
I
Q
F
Q
D
Q
A
G
F
D
-----
T
-----
Q
R
R
A
H
I
W
K
I
D
V
---------
D
P
A
R
-----------------------------
K
S
L
V
A
------
G
S
T
S
K
D
-----------
P
R
D
G
K
D
W
-
H
F
E
R
N
E
E
G
R
N
F
V
D
L
M
W
A
C
-------
A
R
T
T
WAD
K
D
----------
Q
A
E
A
K
G
C
H
S
P
V
V
S
E
L
K
E
T
L
H
F
K
D
Q
K
Q
V
Y
N
E
V
M
G
W
Q
--------
T
P
----
V
K
D
K
F
T
Q
V
K
V
-----
G
I
Q
G
L
Y
S
L
L
----------------------------
E
V
K
KLA
P
S
D
K
------------------
T
-
R
V
Y
------
E
L
I
E
K
A
---
Q
-------
D
-
T
V
D
L
I
E
K
D
G
S
W
GMH
G
F
K
Y
T
K
Q
---
R
L
-
D
A
A
V
E
Y
I
N
---
E
A
Q
R
I
M
K
K
S
L
----------------------------------------------------
42
Fugue
67.08
16%
-45
- C2 -
4QQX
4
?
A:
[34-964]
PPLDLRFW
A
K
E
R
G
L
R
G
K
T
Y
P
L
V
C
H
S
L
D
A
A
A
A
A
L
V
L
W
N
E
Y
L
S
P
G
L
R
D
T
I
A
S
S
M
E
T
D
E
E
H
A
G
H
C
I
A
F
W
A
G
L
H
D
I
G
K
L
T
R
E
F
Q
Q
QIAIDLSAYPGEELSGEQRS
H
A
A
A
T
G
K
W
L
P
F
A
L
P
S
L
GY
P
N
G
G
-----
L
-----
V
------
T
G
L
V
A
Q
M
L
G
G
HHG
T
F
H
P
HPSFQSRN
P
L
A
E
F
G
F
S
S
P
H
W
E
K
Q
R
H
A
L
L
H
A
V
-
F
D
A
T
G
R
P
TPPDMLD
G
P
T
A
S
V
V
C
G
L
------------------
V
I
--
L
-----------
A
D
W
L
-
V
----
S
Q
E
D
F
L
L
E
R
L
T
S
LPADGS
A
S
A
L
R
A
H
F
E
--
T
--
S
L
R
R
I
P
S
L
L
D
A
A
G
L
----
R
P
I
T
V
P
P
A
T
F
------------
T
E
S
F
P
H
L
S
K
-
P
N
G
L
Q
A
S
L
A
K
H
L
P
C
L
C
T
G
P
G
L
V
L
I
T
A
P
-
M
---
G
E
G
K
T
E
A
A
Y
H
V
A
D
L
L
G
K
---
A
T
GRP
G
----
R
F
L
A
L
P
T
M
A
T
-
A
-
D
Q
-
M
-
H
T
R
L
K
---
E
-
Y
--
A
R
Y
R
--------
V
--
E
N
----
T
D
-
L
----
P
--------
R
S
-
S
T
L
A
-----
L
L
H
S
M
A
W
-----
L
N
P
D
Y
A
P
A
H
RD
P
F
A
A
T
D
W
L
M
G
R
K
R
G
L
LA
P
W
A
V
G
T
-----
I
D
Q
A
L
M
A
V
L
R
A
K
H
N
A
L
R
L
F
G
L
A
G
K
V
V
V
V
D
EAHAV
D
P
Y
M
Q
V
L
L
E
Q
L
L
----
R
W
L
G
T
L
D
V
P
V
V
L
L
S
A
T
L
H
H
S
I
A
N
S
L
V
K
A
Y
L
E
G
A
-
R
G
R
R
W
N
R
S
-
E
P
Q
P
V
S
E
V
S
Y
P
G
W
L
H
V
D
--
A
R
I
G
K
V
T
R
S
S
D
-
V
D
P
L
P
I
A
T
T
PRK
P
L
E
V
R
L
V
D
V
P
V
K
E
G
A
L
N
R
S
T
V
L
A
K
E
L
T
P
L
V
K
Q
G
G
C
-
A
A
I
-
I
C
T
T
V
A
E
A
Q
G
V
Y
D
L
L
S
Q
W
F
A
T
L
A
P
-
D
L
Y
L
L
H
S
R
F
P
N
R
Q
R
T
E
I
T
A
T
I
V
D
L
F
G
K
E
G
A
Q
S
GRRPTA
V
L
V
A
T
Q
V
V
E
Q
S
L
D
L
D
VD
L
M
I
S
D
L
A
P
V
S
L
L
L
Q
R
A
G
R
C
W
---------
R
H
E
H
LGI
I
N
R
P
QWAKQP
E
L
V
V
L
T
P
E
Q
NRA
P
W
F
P
R
S
W
T
S
V
YP
L
A
L
L
Q
R
T
Y
T
-----------
L
L
R
R
R
N
G
A
P
V
Q
I
P
E
D
V
Q
Q
L
V
D
D
V
Y
D
D
-------
D
-------
S
----------
L
A
E
D
L
E
A
D
M
E
R
M
G
E
-
E
L
A
Q
R
G
L
A
R
N
A
V
I
P
D
P
D
D
A
E
--------
D
N
LNGL
T
E
F
S
F
H
V
L
A
T
RFGA
G
S
V
R
V
L
C
Y
Y
V
----------------------------
D
T
A
---
G
N
R
W
LDPECTVEFPEQGTGREG
R
-
F
T
M
------
A
D
C
R
D
L
---
V
-------
A
R
T
I
P
V
R
M
G
P
W
A
S
---
Q
L
T
E
D
N
H
PP
E
A
W
-
R
E
S
F
Y
L
R
D
L
V
L
I
P
Q
R
V
T
D
A
V
L
P
T
E
T
GG
R
E
W
L
LDPCKGLIF---------------------------------
36
Fugue
61.99
25%
-5
- C1 -
2CH7
2
MCP2_THEMA
A:
[1-309]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
S
H
M
K
D
-
V
Q
T
E
T
F
S
V
A
E
S
I
E
E
I
S
K
A
N
E
E
I
T
N
Q
L
L
G
I
S
K
E
M
D
N
I
S
T
R
I
E
S
I
S
A
S
V
Q
E
T
T
A
G
S
E
E
I
------
S
S
A
T
K
N
I
A
D
S
A
Q
Q
A
A
-----
S
F
A
D
Q
S
T
Q
L
A
K
E
A
G
D
A
L
---------
K
K
V
I
-----------------------------
E
V
T
R
M
------
I
S
N
S
A
K
-----------
D
V
E
R
V
V
E
S
F
Q
K
G
A
E
E
I
T
S
F
V
E
T
I
N
A
I
-------
A
-------
E
----------
Q
T
N
L
L
A
L
N
A
A
I
E
A
A
-
R
A
G
E
A
G
R
G
F
A
V
V
A
D
E
I
R
K
L
A
--------
E
E
----
S
Q
Q
A
S
E
N
V
R
R
-----
V
V
N
E
I
R
S
I
A
----------------------------
E
D
A
---
G
K
V
S
------------------
S
-
E
I
T
------
A
R
V
E
E
G
---
T
K
L
A
D
E
A
D
E
-
K
L
N
S
I
V
G
A
V
E
R
---
I
N
E
M
L
Q
N
---
I
A
-
A
A
I
E
E
Q
T
A
---
A
V
D
E
I
T
T
A
M
T
E
N
A
K
N
A
E
E
I
T
N
S
V
K
E
V
N
A
R
L
Q
E
I
S
A
S
T
E
E
V
T
S
R
V
Q
T
I
R
E
N
V
Q
M
L
K
E
I
V
A
R
YK
21
HHSearch
59.49
15%
-56
- C3 -
3LIB
1
?
A:
[10-280]
---------------------------------------------
E
K
L
A
Y
Q
Q
S
V
E
M
A
S
-------
N
Y
A
N
Q
F
D
A
D
M
K
A
N
L
A
I
---------------------
A
R
T
I
S
T
T
M
E
S
-------
Y
E
-
T
-----
A
-----
D
------
R
D
E
A
L
L
I
L
-------------------
E
N
L
L
R
D
N
P
H
-----
L
-
L
G
T
Y
V
-
A
F
E
P
D
A
F
-------------
D
G
K
D
AEYTNSPAHDGTGRF
V
P
Y
W
N
K-
M
-----------
N
G
T
A
-
S
V
A
--
P
L
L
H
Y
D
S
S
D
Y
Y
Q
----------
L
P
K
A
T
--
E
--
K
D
V
L
T
E
P
Y
F
Y
E
--
G
------
V
----
F
M
V
------------
S
Y
V
S
P
I
M
K
--
E
G
E
F
A
G
I
G
G
V
D
V
S
L
E
Y
------
V
D
E
V
V
-
S
K
VR
T
F
D
T
G
Y
A
F
-----
M
V
S
N
---
S
----
G
----
V
I
L
S
H
P
T
H
K
D
W
I
-
G
K
-
K
D
L
Y
D
F
G
---
G
-
E
---
E
L
E
K
A
------
S
--
R
D
----
I
K
-
N
----
G
--------
I
G
-
G
H
L
E
-----
T
-
A
D
P
T
T
-----
G
K
T
V
I
L
F
Y
E
--
P
V
E
----------
T
G
--
D
F
A
F
V
L
----
V
V
P
K
E
E
--
M
L
A
G
V
A
D
L
--------
R
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
57.74
29%
-17
- C1 -
3G6B
-
?
A:
[62-253]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
F
Q
-----
A
K
S
D
Q
L
V
S
V
I
Q
D
M
E
K
I
S
---------
E
N
I
M
-----------------------------
E
E
L
K
K
S
G
T
N
--
V
D
Q
I
V
E
-----------
R
V
K
E
A
S
S
Q
I
G
E
T
L
E
N
I
R
S
I
E
K
L
I
Q
N
I
M
R
I
----
A
-------
R
----------
E
T
N
I
L
A
L
N
A
T
I
E
A
A
-
R
A
G
E
A
G
K
G
F
M
I
V
A
N
E
V
Q
N
L
S
--------
N
E
----
T
N
E
V
T
K
Q
I
V
E
-----
K
A
R
E
I
L
E
S
S
----------------------------
Q
R
S
---
L
E
N
L
------------------
E
F
M
A
N
L
F
E
T
V
G
K
T
L
Q
N
M
V
R
F
M
-------
E
-
N
I
V
K
L
L
Q
E
V
R
N
---
S
L
D
T
S
K
E
---
S
L
S
E
K
S
A
E
I
D
S
---
A
T
K
-
V
L
E
E
T
A
----------------------------------------------------
40
Fugue
57.31
15%
-20
- C1 -
3EDV
5
SPTB2_HUMAN
A:
[2-323]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
----
H
M
R
H
R
L
--
F
Q
L
N
R
E
V
D
D
L
E
Q
W
I
-
A
E
-
R
E
V
V
A
G
S
H
E
L
G
Q
D
Y
E
H
V
T
M
L
Q
E
R
F
R
E
F
A
R
D
T
G
N
I
G
Q
-
E
R
V
D
T
V
N
H
L
------
A
D
E
L
I
N
-
S
G
H
S
D
----------
A
A
T
I
A
E
W
K
D
G
L
N
E
A
-
W
A
D
L
L
E
L
I
D
T
R
T
Q
I
L
A
A
S
Y
E
L
H
K
F
-
Y
H
D
A
K
E
I
F
G
R
I
Q
D
K
H
K
K
L
P
E
E
L
G
R
D
Q
N
T
V
E
T
L
------
Q
R
M
H
T
T
F
E
H
D
I
Q
A
L
G
-----
T
Q
V
R
Q
L
Q
E
D
A
A
R
L
Q
A
A
Y
AG
D
K
A
D
D
I
Q
K
R
E
N
-----------------------------
E
V
L
E
A
------
W
K
S
L
L
D
-----------
A
C
E
S
R
R
V
R
L
V
D
T
G
D
K
F
R
-
F
F
S
M
V
R
D
L
-----------------------------
M
L
W
M
E
D
V
I
R
Q
I
-
E
A
Q
E
K
P
R
D
----
V
S
S
V
E
L
L
M
--------
N
N
----
H
Q
G
I
K
A
E
I
D
A
-----
R
N
D
S
F
T
T
C
I
----------------------------
E
L
G
---
K
S
L
L
------------------
A
-
R
K
H
------
Y
A
S
E
E
I
---
K
-------
E
-
K
L
L
Q
L
T
E
K
R
K
E
---
M
I
D
K
W
E
D
---
R
W
-
E
W
L
R
L
--------------------------------------------------------------------
19
HHSearch
55.89
13%
-56
- C3 -
3LI9
1
?
A:
[12-273]
----------------------------------------------
K
L
A
Y
E
K
S
I
E
M
A
G
-------
N
Y
A
N
Q
F
D
A
Q
M
E
A
N
Q
A
I
---------------------
A
R
T
L
A
C
T
M
A
E
-------
Y
G
-
S
-----
Q
-----
D
------
R
E
E
A
M
S
I
I
-------------------
K
R
I
L
N
E
N
P
Q
-----
L
-
I
G
V
Y
L
-
G
Y
E
P
D
A
F
-------------
D
G
R
D
KNYINA------------
P
G
HD
S
TGRF
V
P
Y
C
N
KI
N
G
P
V
-
I
I
E
--
P
L
V
H
Y
D
S
S
D
Y
Y
Q
----------
L
P
K
T
T
--
G
--
K
D
T
L
T
E
P
Y
F
Y
E
--
G
------
I
----
F
M
V
------------
S
Y
D
S
P
I
F
K
--
N
G
E
F
A
G
I
A
G
V
D
V
P
L
E
Y
------
V
D
D
V
A
-
S
S
IR
T
F
D
T
G
Y
A
F
-----
M
V
S
N
---
T
----
G
----
I
F
L
S
H
P
T
Q
K
N
-
W
I
G
E
K
S
-
L
S
D
F
D
---
V
-
E
---
E
I
K
N
A
------
A
--
S
D
----
I
R
-
E
----
G
--------
I
G
-
G
H
V
E
-----
I
-
K
D
P
I
T
-----
G
K
T
V
I
M
F
Y
E
--
P
V
K
----------
T
G
--
D
F
S
F
V
L
----
V
V
P
K
E
E
--
M
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
37
Fugue
55.28
21%
-14
* C1 *
1QU7
-
MCP1_ECOLI
A:
[294-520]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
T
E
Q
Q
------
A
A
S
L
E
Q
T
A
A
S
M
E
Q
L
T
-----
A
T
V
K
Q
N
A
E
N
A
R
Q
A
S
H
L
A
---------
L
S
A
S
-----------------------------
E
T
A
Q
R
------
G
G
K
V
V
D
-----------
N
V
V
Q
T
M
R
D
I
S
T
S
S
Q
K
I
A
D
I
I
S
V
I
D
G
I
-------
A
-------
F
----------
Q
T
N
I
L
A
L
N
A
A
V
E
A
A
-
R
A
G
E
Q
G
R
G
F
A
V
V
A
G
E
V
R
N
L
A
--------
Q
R
----
S
A
Q
A
A
R
E
I
K
S
-----
L
I
E
D
S
V
G
K
V
----------------------------
D
V
G
---
S
T
L
V
------------------
E
-
S
A
G
------
E
T
M
A
E
I
---
V
-------
S
-
A
V
T
R
V
T
D
I
M
G
E
---
I
A
S
A
S
D
E
---
Q
S
-
R
G
I
D
Q
V
G
L
---
A
V
A
E
M
D
R
V
T
Q
Q
N
A
A
L
V
E
Q
S
A
A
A
A
A
A
L
E
E
Q
A
S
R
L
T
E
A
V
A
V
FRIQQQ-----------------
17
HHSearch
53.25
10%
-46
- C3 -
3LIF
2
?
A:
[6-246]
-----------------------------------------
H
K
I
A
L
A
Q
S
E
T
E
M
R
N
L
S
H
-------
S
L
A
E
H
A
T
H
T
F
Q
G
A
D
V
V
---------------------
L
D
D
I
V
S
F
M
K
W
-------
R
P
-------
H
-----
P
------
S
P
V
F
N
E
R
L
-------------------
R
A
L
A
D
N
L
P
Q
-----
L
-
S
D
V
A
I
-
L
D
A
D
G
Q
L
-------------
T
Y
A
S
------------------
V
K
--
P
-----------
V
---------
P
A
L
D
N
S
D
R
S
Y
F
R
----------
Y
H
R
A
N
--
D
DH
T
L
L
I
T
G
P
I
Q
S
R
T
S
G
------
V
----
W
V
F
------------
V
V
S
R
R
L
E
T
T
-
D
G
K
F
F
G
V
V
V
A
T
I
E
S
E
Y
------
F
S
T
F
Y
-
K
TFD
L
G
P
G
G
S
I
S
-----
L
L
H
S
---
D
----
G
----
R
L
L
I
Q
W
P
S
L
Q
-
T
-
G
R
-
D
-
M
A
N
-------
M
------
V
L
------
F
--
Q
K
----
A
L
P
R
----
S
--------
P
D
-
G
Y
Y
L
-----
T
-
V
S
P
F
D
-----
G
L
T
K
Y
L
A
Y
R
--
R
V
S
----------
R
Y
--
P
L
V
V
T
V
----
A
R
T
E
D
S
--
V
L
S
G
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
24
HHSearch
52.55
11%
-66
- C3 -
3C8C
2
?
A:
[7-237]
-------------------------------------------------
S
D
S
V
D
E
I
V
D
-------
G
V
S
K
T
T
A
E
V
I
N
G
R
K
S
I
---------------------
A
Q
Y
A
T
S
L
I
E
N
-------
N
P
-------------
E
------
P
D
N
V
R
T
I
I
-------------------
S
Q
P
L
I
K
N
-
T
-----
F
-
L
L
V
G
F
G
L
E
K
D
G
S
N
-------------
I
N
N
D
------------------
P
S
--
W
-----------
N
P
---
G
----
P
T
W
D
P
R
V
R
P
W
Y
K
----------
D
A
K
N
A
--
G
--
K
L
V
I
T
A
P
Y
A
D
S
A
S
G
------
E
----
I
L
V
------------
S
V
A
T
P
V
K
D
S
A
T
G
Q
F
L
G
S
I
F
Y
D
V
S
L
A
E
------
L
A
E
L
V
-
N
EVK
L
F
D
A
G
Y
V
F
-----
I
V
S
E
---
D
----
G
----
T
T
I
A
H
P
K
K
E
F
-
N
-
G
K
-
P
-
M
S
E
F
-----------
L
G
E
----------
S
K
----
I
----------------
N
V
-
D
T
H
Q
-----
V
-
I
--
I
N
-----
G
K
P
Y
A
V
S
F
S
--
D
V
E
----------
G
E
--
D
W
Y
V
G
V
----
V
I
D
E
E
I
--
A
Y
A
A
L
D
E
L
--------
R
R
S
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
HHSearch
51.86
32%
20
- C1 -
3G67
-
?
A:
[83-194]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
I
M
E
E
L
---------
K
K
S
G
-----------------------------
T
N
V
D
Q
------
I
V
E
R
V
K
-----------
E
A
S
S
Q
I
G
E
T
L
E
N
I
R
S
I
E
K
L
I
Q
N
I
M
R
I
-------
A
-------
R
----------
E
T
N
I
L
A
L
N
A
T
I
E
A
A
-
R
A
G
E
A
G
K
G
F
M
I
V
A
N
E
V
Q
N
L
S
--------
N
E
----
T
N
E
V
T
K
Q
I
V
E
-----
K
A
R
E
I
L
E
S
S
----------------------------
Q
R
S
---
L
E
N
L
------------------
E
-
F
M
A
------
N
L
F
E
T
V
---
G
-------
K
-
T
L
Q
N
M
V
R
F
M
E
N
---
N
V
K
L
L
Q
E
---
V
R
-
N
S
L
D
T
S
K
E
---
S
L
S
E
K
S
A
E
I
D
S
A
T
K
------------------------------------------------
11
PsiBlast_PDB
51.50
22%
-5
- C1 -
2IAK
1
A:
[27-145]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
F
V
Q
D
L
L
N
W
V
D
E
M
Q
V
Q
L
D
R
T
E
W
G
S
D
L
P
S
V
E
S
H
L
E
N
H
K
N
-
V
H
--
R
A
I
E
E
F
E
S
S
L
K
E
A
K
I
S
---
E
I
Q
M
T
A
P
L
K
------
L
S
Y
T
D
K
L
H
R
----
L
E
-----
S
Q
Y
A
K
L
L
N
T
S
R
N
Q
E
R
H
L
---------
D
T
L
H
-----------------------------
N
F
V
T
R
------
A
T
N
E
L
I
-----------
W
L
N
E
K
E
E
S
E
V
A
Y
H
A
E
L
M
R
E
L
E
Q
K
E
E
S
-------
I
-------
K
----------
A
V
Q
E
I
A
E
Q
L
L
L
E
N
H
-
P
A
R
L
T
I
E
A
Y
R
A
A
M
Q
T
Q
W
S
W
I
--------
L
Q
----
L
C
Q
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
43
Fugue
51.03
19%
-23
- C1 -
4O5J
3
?
A:
[27-400]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
K
N
L
N
E
K
-
Y
E
Q
L
S
Q
Y
-------------
L
N
Q
V
------------------
A
S
--
L
-----------
K
Q
S
I
-
Q
----
N
A
N
N
--
I
E
L
V
N
S
----------
S
L
N
Y
L
--
K
--
S
F
T
N
N
N
Y
N
S
T
T
Q
S
-------------------------------
P
I
F
N
A
-
V
Q
A
V
I
T
S
V
L
G
F
W
S
L
Y
A
GN----
Y
F
T
F
F
-
V
---
G
K
K
V
D
S
G
Q
-----
P
A
S
V
---
Q
----
G
NPPF
K
T
I
I
E
N
C
S
G
I
-
E
-
N
C
-
A
-
M
D
Q
T
T
---
Y
-
D
K
M
K
K
L
A
E
D
------
L
--
Q
A
----
A
Q
-
T
----
N
--------
S
A
T
K
G
N
N
-----
L
-
C
A
L
S
G
-----
C
A
A
T
--
S
N
P
--
P
N
S
T
V
S
N
A
L
N
L
A
Q
Q
L
--
M
D
L
I
A
N
TK
T
A
M
M
W
K
N
I
--
V
I
S
G
V
S
N
T
--------
S
G
A
I
T
S
-----
T
N
Y
----
P
T
Q
Y
A
----
V
F
N
N
I
K
A
----
M
I
-
P
I
L
--
Q
Q
A
V
T
L
S
Q
S
N
H
T
L
S
-
A
S
L
Q
A
Q
A
T
G
S
Q
T
N
P
K
F
A
K
D
I
Y
T
F
-
A
Q
N
Q
K
Q
V
I
S
Y
A
Q
D
I
F
-
N
L
F
N
S
I
--
P
------
A
E
Q
Y
K
Y
-
L
E
K
A
Y
L
K
I
P
N
A
G
S
T
P
T
N
P
Y
R
Q
V
V
N
-
L
N
Q
E
-
V
Q
T
I
K
N
N
V
S
Y
Y
G
N
R
V
D
A
A
L
S
V
A
R
D
-
V
Y
N
L
K
S
N
Q
A
E
I
V
T
A
Y
N
D
A
K
T
L
S
E
E
I
S
K
L
P
H
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
HHSearch
50.29
11%
-51
- C3 -
3E4O
2
DCTB_RHIME
A:
[48-301]
----------------------------------------------
A
G
L
A
G
Q
S
R
I
D
A
S
-------
L
K
A
S
L
L
R
A
V
V
E
R
Q
R
A
L
---------------------
P
L
V
L
A
D
D
A
A
I
-------
R
G
A
L
-----
L
S
PD
R
P
S
------
L
D
R
I
N
R
K
L
-------------------
E
A
L
A
T
-
S
A
E
-----
A
-
A
V
I
Y
L
-
I
D
R
S
G
V
A
-------------
V
A
A
S
------------------
N
W
--
Q
-----------
E
P
T
S
-
F
----
V
G
N
D
Y
A
F
R
D
Y
F
R
----------
L
A
V
R
D
--
G
--
M
--
A
E
H
F
A
M
G
T
V
S
------
K
R
----
P
G
L
------------
Y
I
S
R
R
V
D
G
--
P
G
G
P
L
G
V
I
V
A
K
L
E
F
D
G
------
V
E
A
D
W
-
Q
---
A
S
-
G
K
P
A
Y
-----
V
T
D
R
---
R
----
G
----
I
V
L
I
T
S
L
P
S
W
-
R
-
F
M
-
T
-
T
K
P
I
A
---
E
-
D
---
R
L
A
P
I
R
E
S
LQF
G
--
D
A
PLLP
L
P
-
F
RK
I
E
A
R
-------
P
D
-
G
S
S
T
L
D
A
L
L
P
-
G
--
D
S
-----
T
A
A
F
L
R
V
E
T
--
M
V
P
----------
S
T
--
N
W
R
L
E
Q
----
L
S
P
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
22
HHSearch
49.80
11%
-33
- C3 -
3LID
8
?
A:
[8-281]
-----------------------------------------
L
A
N
N
V
E
N
T
A
K
E
A
L
H
Q
L
A
-------
Y
T
G
R
E
Y
N
N
I
Q
D
Q
I
E
T
I
---------------------
S
D
L
L
G
H
S
Q
S
L
-------
Y
D
Y
L
R
EPS
K
A
-----
N
------
L
T
I
L
E
N
M
W
-------------------
S
S
V
A
R
N
Q
K
L
-----
Y
-
K
Q
I
R
F
-
L
D
T
S
G
T
E
-------------
K
V
R
I
------------------
K
Y
--
D
-----------
F
K
T
S
I
A
G
P
S
L
I
L
R
D
K
S
A
R
E
Y
F
K
----------
Y
A
Q
S
L
DN
E
--
Q
I
S
A
W
G
I
E
L
E
R
D
K
G
ELVY
P
L
S
----
P
S
L
------------
R
I
L
M
P
I
S
V
--
N
D
V
R
Q
G
Y
L
V
L
N
V
D
I
E
Y
------
L
S
S
L
L
-
N
YS-
P
V
R
D
F
H
I
E
-----
L
V
K
H
---
K
----
G
----
F
Y
I
A
S
P
D
E
S
R
-
L
-
Y
G
-
D
-
I
I
P
E
R
SQF
N
F
S
--
N
M
Y
P
D
I
------
W
--
P
R
----
V
V
-
S
----
E
--------
Q
A
-
G
Y
S
Y
-----
S
----
G
E
-----
H
L
I
A
F
S
S
I
K
--
F
V
S
----------
N
E
--
P
L
H
L
I
I
----
D
L
S
N
E
Q
--
L
S
K
R
A
T
R
D
--------
I
N
D
L
I
Q
-----
E
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
18
HHSearch
49.73
44%
19
- C1 -
2CH7
-
MCP2_THEMA
A:
[85-194]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
Q
L
A
K
E
A
G
D
A
L
---------
K
K
V
I
-----------------------------
E
V
T
R
M
------
I
S
N
S
A
K
-----------
D
V
E
R
V
V
E
S
F
Q
K
G
A
E
E
I
T
S
F
V
E
T
I
N
A
I
-------
A
-------
E
----------
Q
T
N
L
L
A
L
N
A
A
I
E
A
A
-
R
A
G
E
A
G
R
G
F
A
V
V
A
D
E
I
R
K
L
A
--------
E
E
----
S
Q
Q
A
S
E
N
V
R
R
-----
V
V
N
E
I
R
S
I
A
----------------------------
E
D
A
---
G
K
V
S
------------------
S
-
E
I
T
------
A
R
V
E
E
G
---
T
-------
K
-
L
A
D
E
A
D
E
K
L
N
S
---
I
V
G
A
V
E
R
---
I
N
-
E
M
L
Q
N
I
A
A
---
A
I
E
E
Q
T
A
A
V
D
E
I
T
T
------------------------------------------------
15
HHSearch
49.59
29%
1
- C1 -
1QU7
-
MCP1_ECOLI
A:
[332-517]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
A
S
-----------------------------
E
T
A
Q
R
------
G
G
K
V
V
D
-----------
N
V
V
Q
T
M
R
D
I
S
T
S
S
Q
K
I
A
D
I
I
S
V
I
D
G
I
-------
A
-------
F
----------
Q
T
N
I
L
A
L
N
A
A
V
E
A
A
-
R
A
G
E
Q
G
R
G
F
A
V
V
A
G
E
V
R
N
L
A
--------
Q
R
----
S
A
Q
A
A
R
E
I
K
S
-----
L
I
E
D
S
V
G
K
V
D
V
G
S
T
L
V
E
S
A
G
E
T
M
A
E
I
V
S
A
V
T
R
V
T
D
I
M
G
E
I
---
A
S
A
S
------------------
D
-
E
Q
S
------
R
G
I
D
Q
V
---
G
-------
L
-
A
V
A
E
M
D
R
V
T
Q
Q
---
N
A
A
L
V
E
Q
---
S
A
-
A
A
A
A
A
L
E
E
---
Q
A
S
R
L
T
E
A
V
A
V
F
R
I
------------------------------------------------
25
HHSearch
48.99
7%
-58
- C3 -
3BY9
3
?
A:
[7-259]
-----------------------------------------------
A
L
L
N
E
H
Q
S
Q
L
D
-------
R
F
S
S
H
I
V
A
T
L
D
K
Y
A
H
I
---------------------
P
H
L
I
S
K
D
K
E
L
-------
V
D
A
L
-----
L
-----
S
AQN
S
A
Q
I
D
I
T
N
R
Y
L
-------------------
E
Q
V
N
E
V
I
-
Q
-----
A
-
A
D
T
Y
L
-
I
D
R
F
G
N
T
-------------
I
A
S
S
------------------
N
W
--
N
-----------
L
D
R
S
-
F
----
I
G
R
N
F
A
W
R
P
Y
F
Y
----------
L
S
I
A
G
--
Q
--
K
S
Q
Y
--
F
A
L
G
S
T
S
------
G
Q
----
R
G
Y
------------
Y
Y
A
Y
P
V
I
Y
--
A
A
E
I
L
G
V
I
V
V
K
M
D
L
S
A
------
I
E
Q
G
W
-
Q
---
N
K
-
S
S
Y
F
V
-----
A
T
D
D
---
H
----
Q
----
V
V
F
M
S
S
Q
P
A
W
-
L
-
F
H
-
S
-
V
A
D
L
S
---
P
-
A
---
Q
L
N
D
I
------
R
Q
S
Q
Q
----
Y
L
-
D
SPI-
P
SLGWQGDL
Q
A
-
E
Q
S
E
-----
W
-
R
--
K
P
EKHWL
Q
D
D
Y
I
V
S
S
R
--
P
L
P
----------
E
L
--
A
L
T
I
R
V
----
L
S
P
K
I
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
41
Fugue
47.98
10%
-15
- C1 -
2YFA
4
MCPS_PSEPK
A:
[18-253]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
S
H
M
G
D
I
G
Q
L
N
K
D
L
T
D
L
R
I
-
A
R
L
Q
Y
M
I
A
N
G
D
D
T
A
A
A
N
T
L
A
K
L
D
A
F
S
K
Q
Q
A
Y
L
------
A
T
T
F
K
S
-----------------
P
E
N
V
K
L
L
G
E
L
G
D
T
I
---------
S
A
Y
K
-----------------------------
L
S
L
N
K
------
M
R
Q
G
Y
D
-----------
A
T
R
A
A
R
V
S
M
D
S
S
A
I
R
A
D
Q
A
M
D
A
L
S
Q
E
-------
V
-------
M
----------
A
R
P
E
A
D
S
V
R
L
A
Q
Y
Q
-
L
I
S
K
A
R
Q
Q
L
L
Q
V
R
I
D
V
R
G
Y
I
A
E
NS
S
A
N
E
Q
A
----
A
L
R
Q
L
D
A
A
L
A
-----
D
T
D
N
L
K
R
Q
L
----------------------------
P
S
E
---
D
A
R
L
------------------
Q
-
Q
F
E
------
N
A
V
L
A
Y
---
R
-------
D
-
A
V
R
Q
F
R
D
A
V
A
N
---
I
T
T
S
R
A
E
---
M
T
-
V
Q
G
A
D
I
V
K
---
R
S
D
A
L
Y
Q
I
Q
L
E
R
--------------------------------------------------
14
PsiBlast_CBE
45.88
36%
43
- C1 -
3ZX6
1
B:
[61-206]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
N
A
I
Y
S
G
A
S
E
I
A
-----
T
G
N
N
D
L
S
S
R
T
E
Q
Q
A
A
S
L
---------
E
E
T
A
-----------------------------
A
S
M
E
Q
------
L
T
A
T
V
K
Q
N
A
E
N
A
R
Q
A
S
H
L
A
L
S
A
S
E
T
A
Q
R
G
G
K
V
V
D
N
V
V
Q
T
M
R
D
I
S
T
S
S
Q
K
I
A
-------
D
I
I
S
V
I
D
G
I
A
F
Q
T
N
I
L
A
L
N
A
A
V
E
A
A
-
R
A
G
E
Q
G
R
G
F
A
V
V
A
G
E
V
R
N
L
A
--------
Q
R
----
S
A
Q
A
A
R
E
I
K
S
-----
L
I
E
D
S
V
G
K
V
----------------------------
D
V
G
---
S
T
L
V
------------------
E
-
S
A
G
------
E
T
M
A
E
I
---
V
-------
S
-
A
V
T
R
V
T
D
I
M
G
E
---
I
A
S
A
S
D
E
---
Q
S
-
R
G
I
D
Q
V
G
L
---
A
V
A
E
M
D
R
V
T
Q
Q
N
A
A
------------------------------------------------