@TOME V2.3
(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 : bsu33160: (2016-07-25 )
MKAEGLSGGYGDSRLINNVSLTVEKGEFLGILGPNGSGKTTLLHLLTGTLPAKKGRVYLAGKLLADYKPKELAQIMAVLPQKMDQAFTFTVEETVAFGRYPFQTGLFRQQTEKGEAIVQEAMEQTGVADFAQKPIRELSGGEQQRVYLAQALAQQPRILFLDEPTNFLDLAYQKDLLDLIKRLTRESGLAAVSVFHDLNTASLYCDGLMFMKNGTAGPKQKPEYAVTEQSIKAVYDTDVTALVHQSSPKPMIVIQPEKDSVKRQSIPFEALLQAGRDDILLQTEIPLRTLSSTPIGAGFSWSRTLIHKRLPDQPDPIEGLTACLSESGFQLQETCAMASSERLDRFVYRTYEDGELSVFICVQTGFSIWILINGYAADQFFIKALMAAEAERTKVLGDGGGTGDILIAATQTQQSENIEQRLNQLIKKGTAECIKEAAELFE
Atome Classification :
(31 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
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
----MKAEGLSGGY-G-D-----S----
R
L
I
N
N
V
S
L
T
V
EKG
E
F
L
G
I
LGPNGSGK
T
T
L
L
H
L
L
TGTLPAKK
G
R
V
Y
L
A
G
K
L
LADY--
K
P
--
K
E
----
L
A
Q
I
M
A
---
V
----
L
P
Q
KMD-Q
A
F
T
F
---------
T
V
E
E
TVAFGRY-----PFQTG
L
--------
F
R
QQ-TEK
G
E
--
A
I
V
Q
E
A
---
M
E
QTG
V
A
-
D
----
F
A
Q
K
P
I
R
E
LSGG
E
Q
Q
R
V
Y
L
A
Q
A
L
AQ------Q
P
R
I
L
F
L
DEPT
N
F
L
D
L
A
Y
Q
K
D
L
L
D
L
I
K
R
L
T
R
ESG
L
A
A
V
S
V
F
HDLNTA
S
L
Y
CD
G
L
M
F
---MKNGT---AGPKQKPE
Y
A
V
T
E
Q
S
I
K
A
V
YDT
D
V
T
A
L
V
HQSSPK
P
M
I
V
I
QPEKDSVKRQSI
P
F
E
A
L
L
QAGRD
D
I
L
L
QTEIP
L
R
TLSSTPIGAGF
S
W
S
R
T
L
I
H
KRLPDQPD
P
I
E
G
L
T
A
C
L
S
ESGF
Q
L
Q
E
T
C
A
M
A
S
S
E
R
L
D
R
F
V
Y
RTYEDG
E
L
S
V
F
I
C
V
QTG
F
S
I
W
I
L
I
NGY
A
A
D
Q
F
F
I
K
A
L
M
A
AEA
E
R
T
K
V
LGDGGGTG
D
I
L
I
A
ATQTQ
Q
S
E
N
I
E
Q
R
L
N
Q
L
I
K
K
G
T
A
E
C
I
K
E
A
A
E
LFE
21
PsiBlast_CBE
81.39
40%
-60
- C2 -
4G1U
1
HMUV_YERPE
D:
[12-265]
----
L
E
A
S
H
L
H
Y
H
V
-
Q
-
Q
-----
Q
----
A
L
I
N
D
V
S
L
H
I
A
S
G
E
M
V
A
I
I
G
P
N
G
A
G
K
S
T
L
L
R
L
L
T
G
Y
L
S
P
S
H
G
E
C
H
L
L
G
Q
N
L
N
S
W
--
Q
P
--
K
A
----
L
A
R
T
R
A
---
V
----
M
R
Q
Y
S
E
-
L
A
F
P
F
---------
S
V
S
E
V
I
Q
M
G
R
A
-----
P
Y
G
G
S
Q
--------
D
R
Q
----------
A
L
Q
Q
V
---
M
A
Q
T
D
C
L
-
A
----
L
A
Q
R
D
Y
R
V
L
S
G
G
E
Q
Q
R
V
Q
L
A
R
V
L
A
Q
LWQPQP
T
P
R
W
L
F
L
D
E
P
T
S
A
L
D
L
Y
H
Q
Q
H
T
L
R
L
L
R
Q
L
T
R
Q
E
P
L
A
V
C
C
V
L
H
D
L
N
L
A
A
L
Y
A
D
R
I
M
L
---
L
A
Q
G
K
---
L
V
A
C
G
T
P
E
E
V
L
N
A
E
T
L
T
Q
W
Y
Q
A
D
L
G
V
S
R
H
P
E
S
A
L
P
Q
I
Y
L
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
80.99
40%
-61
- C2 -
4G1U
1
HMUV_YERPE
C:
[12-265]
----
L
E
A
S
H
L
H
Y
H
V
-
Q
-
Q
-----
Q
----
A
L
I
N
D
V
S
L
H
I
A
S
G
E
M
V
A
I
I
G
P
N
G
A
G
K
S
T
L
L
R
L
L
T
G
Y
L
S
P
S
H
G
E
C
H
L
L
G
Q
N
L
N
S
W
--
Q
P
--
K
A
----
L
A
R
T
R
A
---
V
----
M
R
Q
Y
S
E
-
L
A
F
P
F
---------
S
V
S
E
V
I
Q
M
G
R
A
-----
P
Y
G
G
S
Q
--------
D
R
Q
----------
A
L
Q
Q
V
---
M
A
Q
T
D
C
L
-
A
----
L
A
Q
R
D
Y
R
V
L
S
G
G
E
Q
Q
R
V
Q
L
A
R
V
L
A
Q
L
WQPQP
T
P
R
W
L
F
L
D
E
P
T
S
A
L
D
L
Y
H
Q
Q
H
T
L
R
L
L
R
Q
L
T
R
Q
E
P
L
A
V
C
C
V
L
H
D
L
N
L
A
A
L
Y
A
D
R
I
M
L
---
L
A
Q
G
K
---
L
V
A
C
G
T
P
E
E
V
L
N
A
E
T
L
T
Q
W
Y
Q
A
D
L
G
V
S
R
H
P
E
S
A
L
P
Q
I
Y
L
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
44
HHSearch
67.07
30%
-118
- C2 -
2YYZ
3
?
A:
[4-224]
----
I
R
V
V
N
L
K
K
Y
F
-
G
-
K
-----
V
----
K
A
V
D
G
V
S
F
E
V
K
D
G
E
F
V
A
L
L
G
P
S
G
C
G
K
T
T
T
L
L
M
L
A
G
I
Y
K
P
T
S
G
E
I
Y
F
D
D
V
L
V
N
D
I
--
P
P
--
K
------
Y
R
E
V
G
---
M
----
V
F
Q
N
Y
A
-
L
Y
P
H
M
---------
T
V
F
E
N
I
A
F
P
L
R
-----
A
R
-------------
R
I
S
-
K
D
E
V
E
--
K
R
V
V
E
I
---
A
R
K
L
L
I
D
-
N
----
L
L
D
R
K
P
T
Q
L
S
G
G
Q
Q
Q
R
V
A
L
A
R
A
L
V
K
------
Q
P
K
V
L
L
F
D
E
P
L
S
N
L
D
A
N
L
R
M
I
M
R
A
E
I
K
H
L
Q
Q
E
L
G
I
T
S
V
Y
V
T
H
D
Q
A
E
A
M
T
M
A
S
R
I
A
V
---
F
N
Q
G
K
---
L
V
Q
Y
G
T
P
D
E
V
Y
D
S
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
39
HHSearch
66.61
28%
-117
- C2 -
1V43
-
?
A:
[13-239]
----
V
K
L
E
N
L
T
K
R
F
-
G
-
N
-----
F
----
T
A
V
N
K
L
N
L
T
I
K
D
G
E
F
L
V
L
L
G
P
S
G
C
G
K
T
T
T
L
R
M
I
A
G
L
E
E
P
T
E
G
R
I
Y
F
G
D
R
D
V
T
Y
L
--
P
P
--
K
------
D
R
N
I
S
---
M
----
V
F
Q
-------
H
M
---------
T
V
Y
E
N
I
A
F
P
L
-------
K
K
-------------
F
P
-
K
D
E
I
D
--
K
R
V
R
W
A
---
A
E
L
L
Q
I
E
-
E
----
L
L
N
R
Y
P
A
Q
L
S
G
G
Q
R
Q
R
V
A
V
A
R
A
I
V
V
------
E
P
D
V
L
L
M
D
E
P
L
S
N
L
D
A
K
L
R
V
A
M
R
A
E
I
K
K
L
Q
Q
K
L
K
V
T
T
I
Y
V
T
H
D
Q
V
E
A
M
T
M
G
D
R
I
A
V
---
M
N
R
G
Q
---
L
L
Q
I
G
S
P
T
E
V
Y
L
R
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
65.37
26%
-112
- C2 -
1VPL
2
?
A:
[26-250]
---------------
G
-
K
-----
K
----
E
I
L
K
G
I
S
F
E
I
E
E
G
E
I
F
G
L
I
G
P
N
G
A
G
K
T
T
T
L
R
I
I
S
T
L
I
K
P
S
S
G
I
V
T
V
F
G
K
N
V
V
E
---
E
P
--
H
E
----
V
R
K
L
I
S
---
Y
----
L
P
E
----
E
A
G
A
Y
---------
R
N
M
Q
G
I
E
Y
L
R
-------
F
V
A
G
F
--------
Y
A
S
S
-
S
S
E
I
E
--
E
M
V
E
R
A
---
T
E
I
A
G
L
G
-
E
----
K
I
K
D
R
V
S
T
Y
S
K
G
M
V
R
K
L
L
I
A
R
A
L
M
V
------
N
P
R
L
A
I
L
D
E
P
T
S
G
L
D
V
L
N
A
R
E
V
R
K
I
L
K
Q
A
S
Q
E
-
G
L
T
I
L
V
S
S
H
N
M
L
E
V
E
F
L
C
D
R
I
A
L
---
I
H
N
G
T
IVE
T
G
T
V
E
E
L
K
E
R
Y
K
A
Q
N
I
E
E
V
F
E
E
V
V
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
64.64
31%
-49
- C2 -
4U02
1
?
A:
[5-227]
----
I
R
I
R
N
L
H
K
W
F
-
G
-
P
-----
L
----
H
V
L
K
G
I
H
L
E
V
A
P
G
E
K
L
V
I
I
G
P
S
G
S
G
K
S
T
L
I
R
T
I
N
R
L
E
D
F
Q
E
G
E
V
V
V
D
G
L
S
V
K
D
D
--
R
A
L
-
R
E
----
I
R
R
E
V
G
---
M
----
V
F
Q
Q
F
N
-
L
F
P
H
M
---------
T
V
L
E
N
V
T
L
A
-------
P
M
R
--
V
--------
R
R
W
P
-
R
E
K
A
E
--
K
K
A
L
E
L
---
L
E
R
V
G
I
L
-
D
----
Q
A
R
K
Y
P
A
Q
L
S
G
G
Q
Q
Q
R
V
A
I
A
R
A
L
A
M
------
E
P
K
I
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
G
E
V
L
D
V
M
R
D
L
A
-
Q
G
G
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
A
D
R
V
V
F
---
M
D
G
G
Q
---
I
V
E
E
G
R
P
E
E
I
F
T
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
43
HHSearch
64.20
25%
-126
- C2 -
3RLF
3
MALK_ECOLI
A:
[4-224]
----
V
Q
L
Q
N
V
T
K
A
W
-
G
-
E
-----
V
----
V
V
S
K
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
D
T
--
P
P
--------
A
E
R
G
V
G
---
M
----
V
F
Q
S
Y
A
-
L
Y
P
H
L
---------
S
V
A
E
N
M
S
F
G
L
K
-----
L
A
G
-------------
A
K
-
K
E
V
I
N
--
Q
R
V
N
Q
V
---
A
E
V
L
Q
L
A
-
H
----
L
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
------
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
K
I
V
V
---
L
D
A
G
R
---
V
A
Q
V
G
K
P
L
E
L
Y
H
Y
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
64.05
31%
-42
- C2 -
4U00
3
?
A:
[5-227]
----
I
R
I
R
N
L
H
K
W
F
-
G
-
P
-----
L
----
H
V
L
K
G
I
H
L
E
V
A
P
G
E
K
L
V
I
I
G
P
S
G
S
G
K
S
T
L
I
R
T
I
N
R
L
E
D
F
Q
E
G
E
V
V
V
D
G
L
S
V
K
D
D
--
R
A
L
-
R
E
----
I
R
R
E
V
G
---
M
----
V
F
Q
Q
F
N
-
L
F
P
H
M
---------
T
V
L
E
N
V
T
L
A
-------
P
M
R
--
V
--------
R
R
W
P
-
R
E
K
A
E
--
K
K
A
L
E
L
---
L
E
R
V
G
I
L
-
D
----
Q
A
R
K
Y
P
A
Q
L
S
G
G
Q
Q
Q
R
V
A
I
A
R
A
L
A
M
------
E
P
K
I
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
G
E
V
L
D
V
M
R
D
L
A
-
Q
G
G
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
A
D
R
V
V
F
---
M
D
G
G
Q
---
I
V
E
E
G
R
P
E
E
I
F
T
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
26
PsiBlast_CBE
63.60
31%
-50
- C2 -
4U02
1
?
B:
[5-227]
----
I
R
I
R
N
L
H
K
W
F
-
G
-
P
-----
L
----
H
V
L
K
G
I
H
L
E
V
A
P
G
E
K
L
V
I
I
G
P
S
G
S
G
K
S
T
L
I
R
T
I
N
R
L
E
D
F
Q
E
G
E
V
V
V
D
G
L
S
V
K
D
D
--
R
A
L-
R
E
----
I
R
R
E
V
G
---
M
----
V
F
Q
Q
F
N
-
L
F
P
H
M
---------
T
V
L
E
N
V
T
L
A
-------
P
M
R
--
V
--------
R
R
W
P
-
R
E
K
A
E
--
K
K
A
L
E
L
---
L
E
R
V
G
I
L
-
D
----
Q
A
R
K
Y
P
A
Q
L
S
G
G
Q
Q
Q
R
V
A
I
A
R
A
L
A
M
------
E
P
K
I
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
G
E
V
L
D
V
M
R
D
L
A
-
Q
G
G
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
A
D
R
V
V
F
---
M
D
G
G
Q
---
I
V
E
E
G
R
P
E
E
I
F
T
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
25
PsiBlast_CBE
62.82
31%
-48
- C2 -
4U02
1
?
C:
[5-227]
----
I
R
I
R
N
L
H
K
W
F
-
G
-
P
-----
L
----
H
V
L
K
G
I
H
L
E
V
A
P
G
E
K
L
V
I
I
G
P
S
G
S
G
K
S
T
L
I
R
T
I
N
R
L
E
D
F
Q
E
G
E
V
V
V
D
G
L
S
V
K
D
D
--
R
A
L-
R
E
----
I
R
R
E
V
G
---
M
----
V
F
Q
Q
F
N
-
L
F
P
H
M
---------
T
V
L
E
N
V
T
L
A
-------
P
M
R
--
V
--------
R
R
W
P
-
R
E
K
A
E
--
K
K
A
L
E
L
---
L
E
R
V
G
I
L
-
D
----
Q
A
R
K
Y
P
A
Q
L
S
G
G
Q
Q
Q
R
V
A
I
A
R
A
L
A
M
------
E
P
K
I
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
G
E
V
L
D
V
M
R
D
L
A
-
Q
G
G
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
A
D
R
V
V
F
---
M
D
G
G
Q
---
I
V
E
E
G
R
P
E
E
I
F
T
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
62
Fugue
62.10
23%
33
- C2 -
1Z47
1
?
A:
[11-355]
GSMT
I
E
F
V
G
V
E
K
I
Y
P
G
-
G
-----
A
----
R
S
V
R
G
V
S
F
Q
I
R
E
G
E
M
V
G
L
L
G
P
S
G
S
G
K
T
T
I
L
R
L
I
A
G
L
E
R
P
T
K
G
D
V
W
I
G
G
K
R
V
T
D
L
--
P
P
--
Q
K
------
R
N
V
G
---
L
----
V
F
Q
N
Y
A
-
L
F
Q
H
M
---------
T
V
Y
D
N
V
S
F
G
L
R
-----
E
K
-------------
R
V
P
-
K
D
E
M
D
--
A
R
V
R
E
L
---
L
R
F
M
R
L
E
-
S
----
Y
A
N
R
F
P
H
E
L
S
G
G
Q
Q
Q
R
V
A
L
A
R
A
L
A
P
------
R
P
Q
V
L
L
F
D
E
P
F
A
A
I
D
T
Q
I
R
R
E
L
R
T
F
V
R
Q
V
H
D
E
M
G
V
T
S
V
F
V
T
H
D
Q
E
E
A
L
E
V
A
D
R
V
L
V
---
L
H
E
G
------------------------------
N
V
E
Q
F
G
T
P
E
E
V
Y
E
K
P
-----------------------------------
G
T
L
F
V
A
S
F
I
G
E
S
N
V
W
T
R
A
V
Q
N
G
R
I
E
V
A
G
A
A
L
P
V
D
P
A
V
S
E
G
S
E
V
A
V
V
V
---
R
P
K
D
V
E
L
Q
P
A
S
E
R
E
A
H
A
Q
V
V
R
S
A
F
K
G
S
Y
S
A
C
W
I
R
T
K
D
G
E
V
W
E
V
H
V
P
S
A
D
R
H
R
W
-----
S
P
G
A
W
V
H
M
N
V
T
R
W
F
I
F
P
R
-------------------------
40
HHSearch
62.06
31%
-6
- C2 -
1Z47
1
?
A:
[15-236]
----
I
E
F
V
G
V
E
K
I
Y
-
P
G
G
-----
A
----
R
S
V
R
G
V
S
F
Q
I
R
E
G
E
M
V
G
L
L
G
P
S
G
S
G
K
T
T
I
L
R
L
I
A
G
L
E
R
P
T
K
G
D
V
W
I
G
G
K
R
V
T
D
L
--
P
P
--
Q
------
K
R
N
V
G
---
L
----
V
F
Q
N
Y
A
-
L
F
Q
H
M
---------
T
V
Y
D
N
V
S
F
G
L
R
-----
E
K
R
-------------
V
P
-
K
D
E
M
D
--
A
R
V
R
E
L
---
L
R
F
M
R
L
E
-
S
----
Y
A
N
R
F
P
H
E
L
S
G
G
Q
Q
Q
R
V
A
L
A
R
A
L
A
P
------
R
P
Q
V
L
L
F
D
E
P
F
A
A
I
D
T
Q
I
R
R
E
L
R
T
F
V
R
Q
V
H
D
E
M
G
V
T
S
V
F
V
T
H
D
Q
E
E
A
L
E
V
A
D
R
V
L
V
---
L
H
E
G
N
---
V
E
Q
F
G
T
P
E
E
V
Y
E
K
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
37
HHSearch
61.68
26%
-124
- C2 -
4TQU
-
?
S:
[5-225]
----
V
S
I
Q
N
V
V
K
R
Y
-
D
-
K
-----
T
----
T
V
V
H
G
V
S
L
D
I
E
P
G
E
F
V
V
L
V
G
P
S
G
C
G
K
S
T
T
L
R
M
V
A
G
L
E
E
I
S
G
G
T
I
R
I
D
G
R
V
I
N
D
L
--
A
P
--
K
------
D
R
D
V
A
---
M
----
V
F
Q
N
Y
A
-
L
Y
P
H
L
---------
N
V
R
D
N
I
S
F
G
L
R
-----
L
K
R
-------------
T
K
-
K
S
V
I
D
--
A
A
V
K
T
A
---
A
D
I
L
G
L
Q
-
P
----
L
L
E
R
K
P
S
D
L
S
G
G
Q
R
Q
R
V
A
M
G
R
A
I
V
R
------
D
P
K
V
F
L
F
D
Q
P
L
S
N
L
D
A
K
L
R
T
Q
M
R
A
E
I
K
R
L
H
Q
R
L
G
T
T
V
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
R
I
V
V
---
M
R
D
G
L
---
I
E
Q
I
G
K
P
M
D
L
F
L
H
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
46
HHSearch
61.56
31%
-105
- C2 -
3D31
-
?
A:
[2-218]
----
I
E
I
E
S
L
S
R
K
W
-
K
-
N
----------
F
S
L
D
N
L
S
L
K
V
E
S
G
E
Y
F
V
I
L
G
P
T
G
A
G
K
T
L
F
L
E
L
I
A
G
F
H
V
P
D
S
G
R
I
L
L
D
G
K
D
V
T
D
L
--
S
P
--
E
------
K
H
D
I
A
---
F
----
V
Y
Q
N
Y
S
-
L
F
P
H
M
---------
N
V
K
K
N
L
E
F
G
M
R
-----
M
K
K
-----------------
I
K
D
P
--
K
R
V
L
D
T
---
A
R
D
L
K
I
E
-
H
----
L
L
D
R
N
P
L
T
L
S
G
G
E
Q
Q
R
V
A
L
A
R
A
L
V
T
------
N
P
K
I
L
L
L
D
E
P
L
S
A
L
D
P
R
T
Q
E
N
A
R
E
M
L
S
V
L
H
K
K
N
K
L
T
V
L
H
I
T
H
D
Q
T
E
A
R
I
M
A
D
R
I
A
V
---
V
M
D
G
K
---
L
I
Q
V
G
K
P
E
E
I
F
E
K
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
38
HHSearch
61.41
29%
-114
- C2 -
2IT1
-
?
A:
[4-224]
----
I
K
L
E
N
I
V
K
K
F
-
G
-
N
-----
F
----
T
A
L
N
N
I
N
L
K
I
K
D
G
E
F
M
A
L
L
G
P
S
G
S
G
K
S
T
L
L
Y
T
I
A
G
I
Y
K
P
T
S
G
K
I
Y
F
D
E
K
D
V
T
E
L
--
P
P
--
K
------
D
R
N
V
G
---
L
----
V
F
Q
N
W
A
-
L
Y
P
H
M
---------
T
V
Y
K
N
I
A
F
P
L
E
-----
L
R
K
-------------
A
P
-
R
E
E
I
D
--
K
K
V
R
E
V
---
A
K
M
L
H
I
D
-
K
----
L
L
N
R
Y
P
W
Q
L
S
G
G
Q
Q
Q
R
V
A
I
A
R
A
L
V
K
------
E
P
E
V
L
L
L
D
E
P
L
S
N
L
D
A
L
L
R
L
E
V
R
A
E
L
K
R
L
Q
K
E
L
G
I
T
T
V
Y
V
T
H
D
Q
A
E
A
L
A
M
A
D
R
I
A
V
---
I
R
E
G
E
---
I
L
Q
V
G
T
P
D
E
V
Y
Y
K
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
45
HHSearch
60.42
27%
-118
- C2 -
4YER
4
?
A:
[6-255]
----
I
V
V
E
N
L
V
K
K
F
-
G
-
D
-----
F
----
E
A
V
K
G
V
S
F
S
V
K
K
G
E
I
F
A
F
L
G
P
N
G
A
G
K
T
T
T
I
H
M
L
T
T
L
L
K
P
T
S
G
K
A
W
V
A
G
H
D
V
L
K
---
E
P
--
R
E
----
V
R
R
K
I
G
---
I
----
V
F
Q
D
Q
S
-
L
D
R
E
L
---------
T
A
Y
E
N
M
Y
I
H
G
K
-----
I
Y
-------------
G
Y
G
-
G
E
K
L
K
--
K
R
I
L
E
L
---
L
E
F
V
E
L
L
-
E
----
F
K
D
K
P
V
K
T
F
S
G
G
M
A
R
R
L
E
I
A
R
S
L
I
H
------
E
P
E
V
L
F
L
D
E
P
T
I
G
L
D
P
H
T
R
A
H
M
W
E
Y
I
S
K
M
K
K
E
H
N
M
T
I
F
L
T
T
H
Y
M
D
E
A
E
Q
L
A
D
R
V
A
I
---
I
D
H
G
K
---
I
I
A
L
G
T
P
T
E
L
K
R
M
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
24
PsiBlast_CBE
60.17
31%
-41
- C2 -
4U02
1
?
D:
[5-227]
----
I
R
I
R
N
L
H
K
W
F
-
G
-
P
-----
L
----
H
V
L
K
G
I
H
L
E
V
A
P
G
E
K
L
V
I
I
G
P
S
G
S
G
K
S
T
L
I
R
T
I
N
R
L
E
D
F
Q
E
G
E
V
V
V
D
G
L
S
V
K
D
D
--
R
A
L-
R
E
----
I
R
R
E
V
G
---
M
----
V
F
Q
Q
F
N
-
L
F
P
H
M
---------
T
V
L
E
N
V
T
L
A
-------
P
M
R
--
V
--------
R
R
W
P
-
R
E
K
A
E
--
K
K
A
L
E
L
---
L
E
R
V
G
I
L
-
D
----
Q
A
R
K
Y
P
A
Q
L
S
G
G
Q
Q
Q
R
V
A
I
A
R
A
L
A
M
------
E
P
K
I
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
G
E
V
L
D
V
M
R
D
L
A
-
Q
G
G
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
A
D
R
V
V
F
---
M
D
G
G
Q
---
I
V
E
E
G
R
P
E
E
I
F
T
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
60.02
28%
-47
- C2 -
1G6H
3
LIVG_METJA
A:
[8-229]
----
L
R
T
E
N
I
V
K
Y
F
-
G
-
E
-----
F
----
K
A
L
D
G
V
S
I
S
V
N
K
G
D
V
T
L
I
I
G
P
N
G
S
G
K
S
T
L
I
N
V
I
T
G
F
L
K
A
D
E
G
R
V
Y
F
E
N
K
D
I
T
N
K
--
E
P
--
A
E
----
L
Y
H
Y
G
I
---
V
R
T
F
Q
T
P
Q
P
L
K
-
E
---
M
---------
T
V
L
E
N
L
L
I
G
E
I
C
PGES
P
L
N
S
L
F
--------
Y
K
K
W
-
I
P
K
E
E
--
E
M
V
E
K
A
F
K
I
L
E
F
L
K
L
S
-
H
----
L
Y
D
R
K
A
G
E
L
S
G
G
Q
M
K
L
V
E
I
G
R
A
L
M
T
------
N
P
K
M
I
V
M
D
E
P
I
A
G
V
A
P
G
L
A
H
D
I
F
N
H
V
L
E
L
-
K
A
K
G
I
T
F
L
I
I
E
H
R
L
D
I
V
L
N
Y
I
D
H
L
Y
V
---
M
F
N
G
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
60
Fugue
58.01
23%
32
- C2 -
3TUZ
3
METN_ECOLI
H:
[23-362]
--HM
I
K
L
S
N
I
T
K
V
F
-
H
-
Q
-----
G
TRTI
Q
A
L
N
N
V
S
L
H
V
P
A
G
Q
I
Y
G
V
I
G
A
S
G
A
G
K
S
T
L
I
R
C
V
N
L
L
E
R
P
T
E
G
S
V
L
V
D
G
Q
E
L
T
T
L
--
S
E
--
S
E
----
L
T
K
A
R
R
QIG
M
----
I
F
Q
H
F
N
-
L
L
S
S
R
---------
T
V
F
G
N
V
A
L
--------
P
L
E
L
D
----------
N
T
P
-
K
D
E
V
K
--
R
R
V
T
E
L
---
L
S
L
V
G
L
G
-
D
----
K
H
D
S
Y
P
S
N
L
S
G
G
Q
K
Q
R
V
A
I
A
R
A
L
A
S
------
N
P
K
V
L
L
C
D
Q
A
T
S
A
L
D
P
A
T
T
R
S
I
L
E
L
L
K
D
I
N
R
R
L
G
L
T
I
L
L
I
T
H
E
M
D
V
V
K
R
I
C
D
C
V
A
V
---
I
S
N
G
------------
E
L
I
E
Q
D
T
V
S
E
V
F
S
H
-----------
P
K
T
P
L
A
Q
K
F
I
Q
S
T
L
H
L
D
I
P
E
D
Y
Q
------------------------------------
E
R
L
Q
A
E
P
F
T
D
C
V
P
M
L
R
L
E
F
T
G
Q
S
V
D
A
P
L
L
S
E
T
A
R
R
F
N
--
V
N
N
N
I
I
S
A
Q
M
D
Y
A
G
G
V
K
F
G
I
M
L
T
E
M
H
G
T
Q
Q
D
T
Q
A
A
I
A
W
L
Q
E
H
H
V
K
V
E
V
------------------------------------------------
22
PsiBlast_CBE
57.24
33%
-30
- C2 -
1Z47
1
?
B:
[26-231]
---------------
G
-
G
-----
A
----
R
S
V
R
G
V
S
F
Q
I
R
E
G
E
M
V
G
L
L
G
P
S
G
S
G
K
T
T
I
L
R
L
I
A
G
L
E
R
P
T
K
G
D
V
W
I
G
G
K
R
V
T
D
L
--
P
P
--
Q
K
------
R
N
V
G
---
L
----
V
F
Q
N
Y
A
-
L
F
Q
H
M
---------
T
V
Y
D
N
V
S
F
G
------------
L
--------
R
E
K
R
-
V
P
K
D
E
M
D
A
R
V
R
E
L
---
L
R
F
M
R
L
E
-
S
----
Y
A
N
R
F
P
H
E
L
S
G
G
Q
Q
Q
R
V
A
L
A
R
A
L
A
P
------
R
P
Q
V
L
L
F
D
E
P
F
A
A
I
D
T
Q
I
R
R
E
L
R
T
F
V
R
Q
V
H
D
E
M
G
V
T
S
V
F
V
T
H
D
Q
E
E
A
L
E
V
A
D
R
V
L
V
---
L
H
E
G
N
---
V
E
Q
F
G
T
P
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
53
HHSearch
49.65
32%
53
- C2 -
4MKI
4
ECFA2_CALS4
B:
[7-238]
----
I
K
V
E
N
V
S
F
I
Y
-
N
-
E
GTPYA
T
----
V
A
L
K
D
I
N
F
S
I
D
D
E
E
F
V
G
I
I
G
H
T
G
S
G
K
S
T
L
I
Q
Q
L
N
G
L
L
K
P
S
K
G
K
I
Y
I
N
G
I
D
I
T
D
K
KV
S
L
--
K
D
----
I
R
K
Q
V
G
---
L
----
V
F
Q
Y
P
E
Y
Q
L
F
E
E
---------
T
V
F
K
D
I
A
F
G
P
S
-----
N
L
-------------
G
L
S
-
E
E
E
V
K
--
E
R
V
Y
E
A
---
M
E
I
V
G
I
S
K
E
----
L
A
D
K
S
P
F
E
L
S
G
G
Q
K
R
R
V
A
I
A
G
I
L
A
M
------
R
P
K
I
L
I
L
D
E
P
T
A
G
L
D
P
K
G
K
Q
E
I
L
N
K
I
K
E
I
H
D
K
Y
K
M
I
T
I
L
V
S
H
N
M
E
D
I
A
R
I
A
D
K
I
I
V
---
M
N
R
G
K
---
I
E
L
I
G
T
P
R
E
V
F
R
E
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
49.15
31%
-7
- C2 -
3TIF
7
Y796_METJA
A:
[21-228]
------------------------------
L
K
N
V
N
L
N
I
K
E
G
E
F
V
S
I
M
G
P
S
G
S
G
K
S
T
M
L
N
I
I
G
C
L
D
K
P
T
E
G
E
V
Y
I
D
N
I
K
T
N
D
L
--
D
D
--
D
E
----
L
T
K
I
------------
R
R
D
K
-
I
G
F
V
F
---------
Q
-----
Q
F
N
L
I
-----
P
L
L
T
A
L
E
N
V
E
L
PLI
F
K
Y
R
G
A
M
S
G
E
--
E
R
R
K
R
A
---
L
E
C
L
K
M
A
-
E
LEER
F
A
N
H
K
P
N
Q
L
S
G
G
Q
Q
Q
R
V
A
I
A
R
A
L
A
N
------
N
P
P
I
I
L
A
D
Q
P
T
W
A
L
D
S
K
T
G
E
K
I
M
Q
L
L
K
K
L
N
E
E
D
G
K
T
V
V
V
V
T
H
D
I
N
V
A
R
-
F
G
E
R
I
I
Y
---
L
K
D
G
E
---
V
E
R
E
E
K
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
30
PsiBlast_CBE
48.21
31%
-6
- C2 -
3TIF
6
Y796_METJA
B:
[21-228]
------------------------------
L
K
N
V
N
L
N
I
K
E
G
E
F
V
S
I
M
G
P
S
G
S
G
K
S
T
M
L
N
I
I
G
C
L
D
K
P
T
E
G
E
V
Y
I
D
N
I
K
T
N
D
L
--
D
D
--
D
E
----
L
T
K
I
------------
R
R
D
K
-
I
G
F
V
F
---------
Q
-----
Q
F
N
L
I
-----
P
L
L
T
A
L
ENVELPLI
F
K
Y
R
G
A
M
S
G
E
--
E
R
R
K
R
A
---
L
E
C
L
K
M
A
-
E
LEER
F
A
N
H
K
P
N
Q
L
S
G
G
Q
Q
Q
R
V
A
I
A
R
A
L
A
N
------
N
P
P
I
I
L
A
D
Q
P
T
W
A
L
D
S
K
T
G
E
K
I
M
Q
L
L
K
K
L
N
E
E
D
G
K
T
V
V
V
V
T
H
D
I
N
V
A
R
-
F
G
E
R
I
I
Y
---
L
K
D
G
E
---
V
E
R
E
E
K
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
29
PsiBlast_CBE
45.74
31%
-3
- C2 -
1L2T
4
Y796_METJA
B:
[21-228]
------------------------------
L
K
N
V
N
L
N
I
K
E
G
E
F
V
S
I
M
G
P
S
G
S
G
K
S
T
M
L
N
I
I
G
C
L
D
K
P
T
E
G
E
V
Y
I
D
N
I
K
T
N
D
L
--
D
D
--
D
E
----
L
T
K
I
------------
R
R
D
K
-
I
G
F
V
F
---------
Q
-----
Q
F
N
L
I
-----
P
L
L
T
A
L
ENVELPLI
F
K
Y
R
G
A
M
S
G
E
--
E
R
R
K
R
A
---
L
E
C
L
K
M
A
-
E
LEER
F
A
N
H
K
P
N
Q
L
S
G
G
Q
Q
Q
R
V
A
I
A
R
A
L
A
N
------
N
P
P
I
I
L
A
D
Q
P
T
G
A
L
D
S
K
T
G
E
K
I
M
Q
L
L
K
K
L
N
E
E
D
G
K
T
V
V
V
V
T
H
D
I
N
V
A
R
-
F
G
E
R
I
I
Y
---
L
K
D
G
E
---
V
E
R
E
E
K
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
44.20
31%
4
- C2 -
1F3O
2
Y796_METJA
A:
[21-228]
------------------------------
L
K
N
V
N
L
N
I
K
E
G
E
F
V
S
I
M
G
P
S
G
S
G
K
S
T
M
L
N
I
I
G
C
L
D
K
P
T
E
G
E
V
Y
I
D
N
I
K
T
N
D
L
--
D
D
--
D
E
----
L
T
K
I
------------
R
R
D
K
-
I
G
F
V
F
---------
Q
-----
Q
F
N
L
I
-----
P
L
L
T
A
L
E
N
V
E
L
P
L
I
F
K
Y
R
G
A
M
S
G
E
--
E
R
R
K
R
A
---
L
E
C
L
K
M
A
-
E
LEER
F
A
N
H
K
P
N
Q
L
S
G
G
Q
Q
Q
R
V
A
I
A
R
A
L
A
N
------
N
P
P
I
I
L
A
D
E
P
T
G
A
L
D
S
K
T
G
E
K
I
M
Q
L
L
K
K
L
N
E
E
D
G
K
T
V
V
V
V
T
H
D
I
N
V
A
R
-
F
G
E
R
I
I
Y
---
L
K
D
G
E
---
V
E
R
E
E
K
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
43.54
31%
-2
- C2 -
1L2T
4
Y796_METJA
A:
[21-228]
------------------------------
L
K
N
V
N
L
N
I
K
E
G
E
F
V
S
I
M
G
P
S
G
S
G
K
S
T
M
L
N
I
I
G
C
L
D
K
P
T
E
G
E
V
Y
I
D
N
I
K
T
N
D
L
--
D
D
--
D
E
----
L
T
K
I
------------
R
R
D
K
-
I
G
F
V
F
---------
Q
-----
Q
F
N
L
I
-----
P
L
L
T
A
L
E
N
V
E
L
PLI
F
K
Y
R
G
A
M
S
G
E
--
E
R
R
K
R
A
---
L
E
C
L
K
M
A
-
E
LEER
F
A
N
H
K
P
N
Q
L
S
G
G
Q
Q
Q
R
V
A
I
A
R
A
L
A
N
------
N
P
P
I
I
L
A
D
Q
P
T
G
A
L
D
S
K
T
G
E
K
I
M
Q
L
L
K
K
L
N
E
E
D
G
K
T
V
V
V
V
T
H
D
I
N
V
A
R
-
F
G
E
R
I
I
Y
---
L
K
D
G
E
---
V
E
R
E
E
K
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
27
PsiBlast_CBE
43.48
33%
-23
- C2 -
4MKI
4
ECFA2_CALS4
A:
[27-224]
------------------------------
L
K
D
I
N
F
S
I
D
D
E
E
F
V
G
I
I
G
H
T
G
S
G
K
S
T
L
I
Q
Q
L
N
G
L
L
K
P
S
K
G
K
I
Y
I
N
G
I
D
I
T
D
K
--
K
V
S
L
K
D
----
I
R
K
Q
V
G
---
L
----
V
F
Q
Y
P
E
Y
Q
L
F
E
E
---------
T
V
F
K
D
I
A
F
G
-------
P
S
N
L
G
L
--------
S
E
E
E
-
V
K
E
R
-----
V
Y
E
A
---
M
E
I
V
G
I
S
K
E
----
L
A
D
K
S
P
F
E
L
S
G
G
Q
K
R
R
V
A
I
A
G
I
L
A
M
------
R
P
K
I
L
I
L
D
E
P
T
A
G
L
D
P
K
G
K
Q
E
I
L
N
K
I
K
E
I
H
D
K
Y
K
M
I
T
I
L
V
S
H
N
M
E
D
I
A
R
I
A
D
K
I
I
V
---
M
N
R
G
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
42.73
33%
-24
- C2 -
4MKI
4
ECFA2_CALS4
B:
[27-224]
------------------------------
L
K
D
I
N
F
S
I
D
D
E
E
F
V
G
I
I
G
H
T
G
S
G
K
S
T
L
I
Q
Q
L
N
G
L
L
K
P
S
K
G
K
I
Y
I
N
G
I
D
I
T
D
K
--
K
V
S
L
K
D
----
I
R
K
Q
V
G
---
L
----
V
F
Q
Y
P
E
Y
Q
L
F
E
E
---------
T
V
F
K
D
I
A
F
G
-------
P
S
N
L
G
L
--------
S
E
E
E
-
V
K
E
R
-----
V
Y
E
A
---
M
E
I
V
G
I
S
K
E
----
L
A
D
K
S
P
F
E
L
S
G
G
Q
K
R
R
V
A
I
A
G
I
L
A
M
------
R
P
K
I
L
I
L
D
E
P
T
A
G
L
D
P
K
G
K
Q
E
I
L
N
K
I
K
E
I
H
D
K
Y
K
M
I
T
I
L
V
S
H
N
M
E
D
I
A
R
I
A
D
K
I
I
V
---
M
N
R
G
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
37.96
30%
3
- C2 -
2D62
7
?
A:
[16-219]
-------------
F
-
G
-
D
-----
V
----
T
A
V
K
D
L
S
L
E
I
K
D
G
E
F
L
V
L
L
G
P
S
G
C
G
K
T
T
T
L
R
M
I
A
G
L
E
E
P
T
R
G
Q
I
Y
I
E
D
N
L
V
A
D
P
--
E
-----------
K
G
V
F
---
V
----
P
P
K
E
R
D
-
V
A
M
V
F
QSYALYPHM
T
V
Y
D
N
I
A
F
--------
P
L
K
--
L
--------
R
K
V
P
-
K
Q
E
I
D
--
K
R
V
R
E
V
---
A
E
M
L
G
L
T
-
E
----
L
L
N
R
K
P
R
E
L
S
G
G
Q
R
Q
R
V
A
L
G
R
A
I
I
R
------
R
P
K
V
F
L
M
D
E
P
L
S
N
L
D
A
K
L
R
V
K
M
R
A
E
L
K
K
L
Q
R
Q
L
G
V
T
T
I
Y
V
T
H
D
Q
V
E
A
M
T
M
G
D
R
I
A
V
---
M
N
K
G
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
34
PsiBlast_CBE
36.88
31%
-33
- C2 -
4HLU
3
ECFA1_THEMA
C:
[21-216]
-------------
Y
-
N
-
G
-----
D
----
Y
V
L
K
D
V
N
A
E
F
E
T
G
K
I
Y
V
V
V
G
K
N
G
S
G
K
T
T
L
L
K
I
L
A
G
L
L
A
A
-------
A
G
E
I
F
L
D
G
--
S
P
--
A
D
P
F
L
L
R
K
N
V
G
Y
---
V
----
F
Q
N
P
S
S
-
Q
I
I
G
A
---------
T
V
E
E
D
V
A
F
S
L
E
-----
I
M
--
G
L
--------
D
E
S
E
-
M
R
K
R
-----
I
K
K
V
---
L
E
L
V
G
L
S
-
G
----
L
A
A
A
D
P
L
N
L
S
G
G
Q
K
Q
R
L
A
I
A
S
M
L
A
R
------
D
T
R
F
L
A
L
D
E
P
V
S
M
L
D
P
P
S
Q
R
E
I
F
Q
V
L
E
S
L
K
N
E
-
G
K
G
I
I
L
V
T
H
E
L
E
----
Y
L
D
D
M
D
F
I
L
H
I
S
N
G
T
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
33
PsiBlast_CBE
35.30
31%
-33
- C2 -
4HLU
2
ECFA1_THEMA
D:
[21-216]
-------------
Y
-
N
-
G
-----
D
----
Y
V
L
K
D
V
N
A
E
F
E
T
G
K
I
Y
V
V
V
G
K
N
G
S
G
K
T
T
L
L
K
I
L
A
G
L
L
A
A
-------
A
G
E
I
F
L
D
G
--
S
P
--
A
D
PFLL
R
K
N
V
G
Y
---
V
----
F
Q
N
P
S
S
-
Q
I
I
G
A
---------
T
V
E
E
D
V
A
F
S
L
E
-----
I
M
--
G
L
--------
D
E
S
E
-
M
R
K
R
-----
I
K
K
V
---
L
E
L
V
G
L
S
-
G
----
L
A
A
A
D
P
L
N
L
S
G
G
Q
K
Q
R
L
A
I
A
S
M
L
A
R
------
D
T
R
F
L
A
L
D
E
P
V
S
M
L
D
P
P
S
Q
R
E
I
F
Q
V
L
E
S
L
K
N
E
-
G
K
G
I
I
L
V
T
H
E
L
E
----
Y
L
D
D
M
D
F
ILH
I
S
N
G
T
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------