@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 : PA5198: (2016-03-05 )
MTSRPSSDQTWQPIDGRVALIAPASAIATDVLEATLRQLEVHGVDYHLGRHVEARYRYLAGTVEQRLEDLHNAFDMPDITAVWCLRGGYGCGQLLPGLDWGRLQAASPRPLIGFSDISVLLSAFHRHGLPAIHGPVATGLGLSPLSAPREQQERLASLASVSRLLAGIDHELPVQHLGGHKQRVEGALIGGNLTALACMAGTLGGLHAPAGSILVLEDVGEPYYRLERSLWQLLESIDARQLGAICLGSFTDCPRKEVAHSLERIFGEYAAAIEVPLYHHLPSGHGAQNRAWPYGKTAVLEGNRLRW
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.....-
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MTSRPSSDQT---WQPID
G
R
V
A
L
I
A
P
A
---
S
A
I
---
A
T
D
V
L
E
A
T
L
R
Q
L
--
E
VHGV
D
Y
H
L
G
R
H
V
E
A
R
Y
R
Y
L
A
G
T
V
E
Q
R
L
E
D
L
H
N
AFDMPDI
T
A
V
WCLRGGY
G
C
G
QLLPGLDWGRLQAASPRPLIG
F
S
D
I
S
V
L
L
S
-
A
F
H
-RHGLPAIHG-------P-VATGL-G------------LSPLSA
P
-------
R
E
-------------
Q
Q
E
R
L
A
--
S
L
A
S
V
S
---------
R
L
L
A
GI-D---------HE----L
P
V
----
Q
------
H
LGG---
H
--
K
Q
-------------------
R
V-E
G
A
L
IGG
N
L
T
A
L
A
C
M
A
G
TLGGL-HAP--AG
S
I
L
V
L
ED----VG
E
P
Y
Y
R
-
L
E
R
--
S
L
W
Q
L
L
E
S
I
D
A
R
Q
L
G
A
I
C
L
GS--FTDC
P
R
K
E
--
V
A
H
S
L
E
R
I
F
G
E
Y
A
A
A
I
E---V
P
L
YHHLPSGHGAQNRAWPYG
K
T
A
VLEGNRLRW-
21
PsiBlast_CBE
98.32
100%
-134
- C4 -
1ZL0
13
LDC_PSEAE
B:
[9-309]
------
S
D
Q
T
---
W
Q
P
I
D
G
R
V
A
L
I
A
P
A
---
S
A
I
---
A
T
D
V
L
E
A
T
L
R
Q
L
--
E
V
H
G
V
D
Y
H
L
G
R
H
V
E
A
R
Y
R
Y
L
A
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T
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L
H
N
A
F
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M
P
D
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T
A
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W
C
L
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G
Y
G
C
G
Q
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L
P
G
L
D
W
G
R
L
Q
A
A
S
P
R
P
L
I
G
F
S
D
I
S
V
L
L
S
-
A
F
H
-
R
H
G
L
P
A
I
H
G
-------
P
-
V
A
T
G
L
-
G
------------
L
S
P
L
S
A
P
-------
R
E
-------------
Q
Q
E
R
L
A
--
S
L
A
S
V
S
---------
R
L
L
A
G
I
-
D
---------
H
E
----
L
P
V
----
Q
------
H
L
G
G
---
H
--
K
Q
-------------------
R
V
-
E
G
A
L
I
G
G
N
L
T
A
L
A
C
M
A
G
T
L
G
G
L
-
H
A
P
--
A
G
S
I
L
V
L
E
D
----
V
G
E
P
Y
Y
R
-
L
E
R
--
S
L
W
Q
L
L
E
S
I
D
A
R
Q
L
G
A
I
C
L
G
S
--
F
T
D
C
P
R
K
E
--
V
A
H
S
L
E
R
I
F
G
E
Y
A
A
A
I
E
---
V
P
L
Y
H
H
L
P
S
G
H
G
A
Q
N
R
A
W
P
Y
G
K
T
A
V
L
E
G
N
R
L
R
W
-
1
PsiBlast_PDB
98.28
100%
-133
- C4 -
1ZL0
11
LDC_PSEAE
A:
[5-309]
--
S
R
P
S
S
D
Q
T
---
W
Q
P
I
D
G
R
V
A
L
I
A
P
A
---
S
A
I
---
A
T
D
V
L
E
A
T
L
R
Q
L
--
E
V
H
G
V
D
Y
H
L
G
R
H
V
E
A
R
Y
R
Y
L
A
G
T
V
E
Q
R
L
E
D
L
H
N
A
F
D
M
P
D
I
T
A
V
W
C
L
R
G
G
Y
G
C
G
Q
L
L
P
G
L
D
W
G
R
L
Q
A
A
S
P
R
P
L
I
G
F
S
D
I
S
V
L
L
S
-
A
F
H
-
R
H
G
L
P
A
I
H
G
-------
P
-
V
A
T
G
L
-
G
------------
L
S
P
L
S
A
P
-------
R
E
-------------
Q
Q
E
R
L
A
--
S
L
A
S
V
S
---------
R
L
L
A
G
I
-
D
---------
H
E
----
L
P
V
----
Q
------
H
L
G
G
---
H
--
K
Q
-------------------
R
V
-
E
G
A
L
I
G
G
N
L
T
A
L
A
C
M
A
G
T
L
G
G
L
-
H
A
P
--
A
G
S
I
L
V
L
E
D
----
V
G
E
P
Y
Y
R
-
L
E
R
--
S
L
W
Q
L
L
E
S
I
D
A
R
Q
L
G
A
I
C
L
G
S
--
F
T
D
C
P
R
K
E
--
V
A
H
S
L
E
R
I
F
G
E
Y
A
A
A
I
E
---
V
P
L
Y
H
H
L
P
S
G
H
G
A
Q
N
R
A
W
P
Y
G
K
T
A
V
L
E
G
N
R
L
R
W
-
2
PsiBlast_PDB
98.23
99%
-139
- C4 -
1ZRS
-
LDC_PSEAE
A:
[5-307]
----
P
S
S
D
Q
T
---
W
Q
P
I
D
G
R
V
A
L
I
A
P
A
---
S
A
I
---
A
T
E
V
L
E
A
T
L
R
Q
L
--
E
V
H
G
V
D
Y
H
L
G
R
H
V
E
A
R
Y
R
Y
L
A
G
T
V
E
Q
R
L
E
D
L
H
N
A
F
D
M
P
D
I
T
A
V
W
C
L
R
G
G
Y
G
C
G
Q
L
L
P
G
L
D
W
G
R
L
E
A
A
S
P
R
P
L
I
G
F
S
D
I
S
V
L
L
S
-
A
F
H
-
R
H
G
L
P
A
I
H
G
-------
P
-
V
A
T
G
L
-
G
------------
L
-----------------------------
Q
E
R
L
A
--
S
L
A
S
V
S
---------
R
L
L
A
G
I
-
D
---------
H
E
----
L
P
V
----
Q
------
H
L
G
G
---
H
--
K
Q
-------------------
R
V
-
E
G
A
L
I
G
G
N
L
T
A
L
A
C
M
A
G
T
L
G
G
L
-
H
A
P
--
A
G
S
I
L
V
L
E
D
----
V
G
E
P
Y
Y
R
-
L
E
R
--
S
L
W
Q
L
L
E
S
I
D
A
R
Q
L
G
A
I
C
L
G
S
--
F
T
D
C
P
R
K
E
--
V
A
H
S
L
E
R
I
F
G
E
Y
A
A
A
I
E
---
V
P
L
Y
H
H
L
P
S
G
H
G
A
Q
N
R
A
W
P
Y
G
K
T
A
V
L
E
G
N
R
L
R
W
-
3
PsiBlast_PDB
98.21
99%
-139
- C4 -
2AUM
-
LDC_PSEAE
A:
[5-307]
----
P
S
S
D
Q
T
---
W
Q
P
I
D
G
R
V
A
L
I
A
P
A
---
S
A
I
---
A
T
E
V
L
E
A
T
L
R
Q
L
--
E
V
H
G
V
D
Y
H
L
G
R
H
V
E
A
R
Y
R
Y
L
A
G
T
V
E
Q
R
L
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D
L
H
N
A
F
D
M
P
D
I
T
A
V
W
C
L
R
G
G
Y
G
C
G
Q
L
L
P
G
L
D
W
G
R
L
E
A
A
S
P
R
P
L
I
G
F
A
D
I
S
V
L
L
S
-
A
F
H
-
R
H
G
L
P
A
I
H
G
-------
P
-
V
A
T
G
L
-
G
------------
L
-----------------------------
Q
E
R
L
A
--
S
L
A
S
V
S
---------
R
L
L
A
G
I
-
D
---------
H
E
----
L
P
V
----
Q
------
H
L
G
G
---
H
--
K
Q
-------------------
R
V
-
E
G
A
L
I
G
G
N
L
T
A
L
A
C
M
A
G
T
L
G
G
L
-
H
A
P
--
A
G
S
I
L
V
L
E
D
----
V
G
E
P
Y
Y
R
-
L
E
R
--
S
L
W
Q
L
L
E
S
I
D
A
R
Q
L
G
A
I
C
L
G
S
--
F
T
D
C
P
R
K
E
--
V
A
H
S
L
E
R
I
F
G
E
Y
A
A
A
I
E
---
V
P
L
Y
H
H
L
P
S
G
H
G
A
Q
N
R
A
W
P
Y
G
K
T
A
V
L
E
G
N
R
L
R
W
-
42
Fugue
98.18
100%
-133
- C4 -
1ZL0
11
LDC_PSEAE
A:
[5-310]
--
S
R
P
S
S
D
Q
T
---
W
Q
P
I
D
G
R
V
A
L
I
A
P
A
---
S
A
I
---
A
T
D
V
L
E
A
T
L
R
Q
L
--
E
V
H
G
V
D
Y
H
L
G
R
H
V
E
A
R
Y
R
Y
L
A
G
T
V
E
Q
R
L
E
D
L
H
N
A
F
D
M
P
D
I
T
A
V
W
C
L
R
G
G
Y
G
C
G
Q
L
L
P
G
L
D
W
G
R
L
Q
A
A
S
P
R
P
L
I
G
F
S
D
I
S
V
L
L
S
-
A
F
H
-
R
H
G
L
P
A
I
H
G
-------
P
-
V
A
T
G
L
-
G
------------
L
S
P
L
S
A
P
-------
R
E
-------------
Q
Q
E
R
L
A
--
S
L
A
S
V
S
---------
R
L
L
A
G
I
-
D
---------
H
E
----
L
P
V
----
Q
------
H
L
G
G
---
H
--
K
Q
-------------------
R
V
-
E
G
A
L
I
G
G
N
L
T
A
L
A
C
M
A
G
T
L
G
G
L
-
H
A
P
--
A
G
S
I
L
V
L
E
D
----
V
G
E
P
Y
Y
R
-
L
E
R
--
S
L
W
Q
L
L
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S
I
D
A
R
Q
L
G
A
I
C
L
G
S
--
F
T
D
C
P
R
K
E
--
V
A
H
S
L
E
R
I
F
G
E
Y
A
A
A
I
E
---
V
P
L
Y
H
H
L
P
S
G
H
G
A
Q
N
R
A
W
P
Y
G
K
T
A
V
L
E
G
N
R
L
R
W
G
4
PsiBlast_PDB
97.82
99%
-138
- C4 -
2AUN
-
LDC_PSEAE
A:
[5-307]
----
P
S
S
D
Q
T
---
W
Q
P
I
D
G
R
V
A
L
I
A
P
A
---
S
A
I
---
A
T
E
V
L
E
A
T
L
R
Q
L
--
E
V
H
G
V
D
Y
H
L
G
R
H
V
E
A
R
Y
R
Y
L
A
G
T
V
E
Q
R
L
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D
L
H
N
A
F
D
M
P
D
I
T
A
V
W
C
L
R
G
G
Y
G
C
G
Q
L
L
P
G
L
D
W
G
R
L
E
A
A
S
P
R
P
L
I
G
F
S
D
I
S
V
L
L
S
-
A
F
H
-
R
H
G
L
P
A
I
H
G
-------
P
-
V
A
T
G
L
-
G
------------
L
-----------------------------
Q
E
R
L
A
--
S
L
A
S
V
S
---------
R
L
L
A
G
I
-
D
---------
H
E
----
L
P
V
----
Q
------
H
L
G
G
---
H
--
K
Q
-------------------
R
V
-
E
G
A
L
I
G
G
N
L
T
A
L
A
C
M
A
G
T
L
G
G
L
-
H
A
P
--
A
G
S
I
L
V
L
E
D
----
V
G
E
P
Y
Y
R
-
L
E
R
--
S
L
W
Q
L
L
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S
I
D
A
R
Q
L
G
A
I
C
L
G
S
--
F
T
D
C
P
R
K
E
--
V
A
H
S
L
E
R
I
F
G
E
Y
A
A
A
I
E
---
V
P
L
Y
H
H
L
P
S
G
A
G
A
Q
N
R
A
W
P
Y
G
K
T
A
V
L
E
G
N
R
L
R
W
-
23
HHSearch
88.75
87%
-121
- C4 -
1ZL0
11
LDC_PSEAE
A:
[5-309]
--
S
R
P
S
S
D
Q
T
W
Q
P
I
D
G
R
V
A
L
I
A
P
A
S
A
I
---
A
T
------
D
V
L
E
A
T
L
R
Q
L
--
E
V
H
G
V
D
Y
H
L
G
R
H
V
E
A
R
Y
R
Y
L
A
G
T
V
E
Q
R
L
E
D
L
H
N
A
F
D
M
P
D
I
T
A
V
W
C
L
R
G
G
Y
G
C
G
Q
L
L
P
G
L
D
W
G
R
L
Q
A
A
S
P
R
P
L
I
G
F
S
D
I
S
V
L
L
S
A
F
H
--
R
H
G
L
P
A
I
H
G
-------
P
-
V
A
T
G
L
-
G
------------
L
S
P
L
S
A
P
R
E
Q
Q
E
R
L
A
S
-------------
L
A
S
V
S
R
--
L
L
A
G
----------------
I
-
D
---------
H
------
E
L
----
P
------
V
Q
H
L
---
G
GH
K
Q
-------------------
R
V
-
E
G
A
L
I
G
G
N
L
T
A
L
A
C
M
A
G
T
L
G
G
L
H
A
P
---
A
G
S
I
L
V
L
E
D
----
V
G
E
P
Y
Y
R
-
L
E
R
--
S
L
W
Q
L
L
E
S
I
D
A
R
Q
L
G
A
I
C
L
G
S
--
F
T
D
C
P
R
K
E
--
V
A
H
S
L
E
R
I
F
G
E
Y
A
A
A
I
E
---
V
P
L
Y
H
H
L
P
S
G
H
G
A
Q
N
R
A
W
P
Y
G
K
T
A
V
L
E
G
N
R
L
R
W
-
5
PsiBlast_PDB
65.41
26%
-100
- C4 -
4INJ
3
?
A:
[14-318]
-------------------
E
I
R
I
I
A
P
S
---
R
S
I
GIM
A
D
N
Q
V
E
I
A
V
N
R
L
--
T
D
M
G
F
K
V
T
F
G
E
H
V
A
E
M
D
C
M
M
S
S
S
I
R
S
R
V
A
D
I
H
E
A
F
N
D
S
S
V
K
A
I
L
T
V
I
G
G
F
N
S
N
Q
L
L
P
Y
L
D
Y
D
-
L
I
S
E
N
P
K
I
L
C
G
F
A
D
I
T
A
L
A
T
-
A
I
Y
-
T
Q
T
E
L
I
T
Y
S
G
A
H
FSSF
S
-
M
E
K
G
L
-
D
Y
V
----------
M
E
S
F
S
D
C
-------
L
L
-------------
Q
K
E
P
F
A
LK
E
S
A
T
W
S
---------
D
D
E
W
Y
L
-
D
---------
Q
E
N
R
N
F
I
P
N
----
E
------
G
L
V
V
---
M
--
Q
P
-------------------
G
V
A
E
G
I
I
I
G
G
N
L
C
T
L
N
L
L
Q
G
T
---
E
-
Y
M
P
NL
A
G
T
I
L
F
I
E
D
D
FMT
I
P
E
T
F
----
D
R
--
D
L
E
S
L
L
S
Q
P
G
A
D
E
I
E
G
M
V
I
G
R
--
F
Q
Q
-
K
T
A
M
--
T
A
E
K
L
A
Y
I
I
E
T
K
T
A
L
Q
K
---
I
P
V
I
S
G
A
D
F
G
H
T
Q
P
I
A
T
F
P
I
G
G
T
A
R
I
D
T
N
Q
----
6
PsiBlast_PDB
64.35
26%
-99
- C4 -
4H1H
2
?
A:
[14-318]
-------------------
E
I
R
I
I
A
P
S
---
R
S
I
GIM
A
D
N
Q
V
E
I
A
V
N
R
L
--
T
D
M
G
F
K
V
T
F
G
E
H
V
A
E
M
D
C
M
M
S
S
S
I
R
S
R
V
A
D
I
H
E
A
F
N
D
S
S
V
K
A
I
L
T
V
I
G
G
F
N
S
N
Q
L
L
P
Y
L
D
Y
D
-
L
I
S
E
N
P
K
I
L
C
G
F
S
D
I
T
A
L
A
T
-
A
I
Y
-
T
Q
T
E
L
I
T
Y
------------
S
G
A
-
H
------------
F
S
S
F
S
M
E
-------
K
G
L
D
Y
V
M
E
S
F
S
D
C
LL
Q
K
E
P
F
A
LK
E
S
A
T
W
S
---------
D
D
E
W
Y
L
-
D
---------
Q
E
N
R
N
F
I
P
N
----
E
------
G
L
V
V
---
M
--
Q
P
-------------------
G
V
A
E
G
I
I
I
G
G
N
L
C
T
L
N
L
L
Q
G
T
---
E
-
Y
M
P
NL
A
G
T
I
L
F
I
E
D
D
FMT
I
P
E
T
F
----
D
R
--
D
L
E
S
L
L
S
Q
P
G
A
D
E
I
E
G
M
V
I
G
R
--
F
Q
Q
-
K
T
A
M
--
T
A
E
K
L
A
Y
I
I
E
T
K
T
A
L
Q
K
---
I
P
V
I
S
G
A
D
F
G
H
T
Q
P
I
A
T
F
P
I
G
G
T
A
R
I
D
T
N
Q
----
12
PsiBlast_PDB
63.36
22%
-110
- C4 -
4E5S
1
?
A:
[14-317]
-------------------
E
I
R
V
I
S
P
S
CSL
S
I
V
---
S
T
E
N
R
R
L
A
V
K
R
L
--
T
E
L
G
F
H
V
T
F
S
T
H
A
E
E
I
D
R
F
A
S
S
S
I
S
S
R
V
Q
D
L
H
E
A
F
R
D
P
N
V
K
A
I
L
T
T
L
G
G
Y
N
S
N
G
L
L
K
Y
L
D
Y
D
L
I
R
-
E
N
P
K
F
F
C
G
Y
S
D
I
T
A
L
N
N
-
A
I
Y
T
K
T
G
L
V
T
Y
S
G
-------
P
-
H
F
S
S
F
-
G
MEKGL
E
Y
T
T
D
Y
F
L
Q
C
L
T
S
N
-------
K
P
-------------
I
E
V
L
P
S
--
E
T
W
S
D
D
---------
S
W
Y
I
D
Q
-
E
---------
N
R
----
K
F
I
----
K
------
N
E
G
Y
VSI
H
--
E
G
-------------------
E
A
-
T
G
D
I
I
G
G
N
M
S
T
L
N
L
L
Q
G
T
---
S
-
Y
M
P
NL
K
D
K
I
L
F
L
E
E
D
SL-
T
G
T
S
T
L
K
T
F
D
R
--
Y
L
H
S
L
M
Q
Q
Q
N
F
K
H
V
K
G
I
V
I
G
K
------
M
Q
K
G
--
A
E
C
T
I
E
D
I
Q
E
M
I
A
S
K
P
E
LAH
I
P
I
I
A
N
A
S
F
G
H
T
T
P
I
F
T
F
P
I
G
G
R
A
T
I
--------
22
HHSearch
60.57
22%
-82
* C4 *
3TLA
1
MCCF_ECOLX
A:
[34-358]
----
P
L
L
A
A
P
L
A
-
V
G
D
T
I
G
F
F
S
S
S
A
P
A
---
T
V
T
---
A
K
N
R
F
F
R
G
V
E
F
L
--
Q
R
K
G
F
K
L
V
S
G
K
L
T
G
K
T
D
F
Y
R
S
G
T
I
K
E
R
A
Q
E
F
N
E
L
V
Y
N
P
D
I
T
C
I
M
S
T
I
G
G
D
N
S
N
S
L
L
P
F
L
D
Y
D
A
I
I
-
A
N
P
K
I
I
I
G
Y
S
D
T
T
A
L
L
A
G
I
Y
A
-
K
T
G
L
I
T
F
Y
G
-------
P
-
A
L
I
P
S
F
G
------------
E
H
P
P
L
V
D
-------
I
T
-------------
Y
E
S
F
I
K
--
I
L
T
R
K
Q
S
G
I
Y
T
Y
T
L
P
E
K
W
S
D
E
-
S
INWNENKIL
R
P
K
K
--
L
Y
K
----
N
N-----
C
A
F
Y
---
G
--
S
G
-------------------
K
V
-
E
G
R
V
I
G
G
N
L
N
T
L
T
G
I
W
G
S
E
W
M
P
-
E
I
R
--
N
G
D
I
L
F
I
E
D
----
S
R
K
S
I
A
T
-
V
E
R
--
L
F
S
M
L
K
L
N
R
V
F
D
K
V
S
A
I
I
L
G
K
--
H
E
L
F
D
C
A
G
--
S
K
R
R
P
Y
E
V
L
T
E
V
L
D
G
K
Q
---
I
P
V
L
D
G
F
D
C
S
H
T
H
P
M
L
T
L
P
L
G
V
K
L
A
I
D
F
D
N
K
---
24
HHSearch
57.04
20%
-106
- C4 -
3G23
19
?
A:
[2-272]
-------------
M
T
R
R
I
A
I
C
A
P
S
T
P
F
---
T
R
E
------
D
S
A
R
V
I
A
L
A
A
A
E
F
P
D
L
S
L
S
F
H
E
Q
C
F
A
S
E
G
H
F
A
G
S
D
A
L
R
L
S
A
F
L
E
C
A
N
D
D
A
F
E
A
V
W
F
V
R
G
G
Y
G
A
N
R
I
A
E
D
A
L
A
R
L
G
R
A
A
S
A
K
Q
Y
L
G
Y
S
D
A
G
T
L
L
A
A
L
Y
A
-
H
R
I
G
R
S
V
H
A
-------
P
-
M
P
V
D
I
R
R
------------
P
E
-
G
-------------------------
E
S
A
V
R
R
--
T
L
G
W
------------
L
A
G
---
A
----------------
R
E
----
G
------
L
E
-----
P
--
T
L
-------------------
G
A
---
P
A
V
A
F
N
L
M
T
L
A
M
L
C
G
T
R
L
L
P
-
D
L
---
S
G
H
V
V
M
I
E
E
----
V
A
E
H
H
Y
A
-
V
D
R
--
L
L
F
H
V
T
S
C
L
A
D
A
G
I
A
G
L
R
L
G
R
--
V
S
D
V
P
E
N
D
RP
F
G
C
S
V
E
E
M
A
R
H
W
C
H
R
A
G
---
I
A
F
L
G
T
A
D
I
G
H
D
V
D
N
R
I
V
P
F
G
-------------
13
PsiBlast_PDB
55.79
25%
-94
- C4 -
3TLC
2
MCCF_ECOLX
A:
[53-308]
------------------------
A
P
A
---
T
V
T
---
A
K
N
R
F
F
R
G
V
E
F
L
--
Q
R
K
G
F
K
L
V
S
G
K
L
T
G
K
T
D
F
Y
R
S
G
T
I
K
E
R
A
Q
E
F
N
E
L
V
Y
N
P
D
I
T
C
I
M
S
T
I
G
G
D
N
S
N
S
L
L
P
F
L
D
Y
D
A
I
-
I
A
N
P
K
I
I
I
G
Y
A
D
T
T
A
L
L
A
-
G
I
Y
A
K
T
G
L
I
T
F
Y
G
-------
P
A
L
I
P
S
F
-
G
------------
E
H
P
---
P
-------
L
V
-------------
D
I
T
Y
E
S
--
F
I
K
I
L
T
---------
R
K
Q
S
G
I
Y
T
---------
Y
T
----
L
P
E
KWSD
E
------
S
I
N
W
---
N
--
E
N
KILRP
K
K
L
Y
K
NN
C
A
F
Y
G
S
G
K
V
-
E
G
R
V
I
G
G
N
L
N
T
L
T
G
I
W
G
S
E
W
M
P
-
E
I
R
--
N
G
D
I
L
F
I
E
D
----
S
R
K
S
I
A
T
-
V
E
R
L
F
S
M
L
K
L
N
R
V
F
D
--
K
V
S
A
I
I
L
G
K
HE
L
F
D
C
------------------------------------------------------------
14
PsiBlast_PDB
55.74
25%
-95
- C4 -
4IIX
7
MCCF_ECOLX
A:
[53-308]
------------------------
A
P
A
---
T
V
T
---
A
K
N
R
F
F
R
G
V
E
F
L
--
Q
R
K
G
F
K
L
V
S
G
K
L
T
G
K
T
D
F
Y
R
S
G
T
I
K
E
R
A
Q
E
F
N
E
L
V
Y
N
P
D
I
T
C
I
M
S
T
I
G
G
D
N
S
N
S
L
L
P
F
L
D
Y
D
A
I
-
I
A
N
P
K
I
I
I
G
Y
A
D
T
T
A
L
L
A
-
G
I
Y
A
K
T
G
L
I
T
F
Y
G
-------
P
A
L
I
P
S
F
-
G
------------
E
H
P
---
P
-------
L
V
-------------
D
I
T
Y
E
S
--
F
I
K
I
L
T
---------
R
K
Q
S
G
I
Y
T
---------
Y
T
----
L
P
E
KWSD
E
------
S
I
N
W
---
N
--
E
N
KILRP
K
K
L
Y
K
NN
C
A
F
Y
G
SG
K
V
-
E
G
R
V
I
G
G
N
L
N
T
L
T
G
I
W
G
S
E
W
M
P
-
E
I
R
--
N
G
D
I
L
F
I
E
D
----
S
R
K
S
I
A
T
-
V
E
R
L
F
S
M
L
K
L
N
R
V
F
D
--
K
V
S
A
I
I
L
G
K
HE
L
F
D
C
------------------------------------------------------------
8
PsiBlast_PDB
55.71
26%
-95
- C4 -
3TLB
1
MCCF_ECOLX
A:
[53-308]
------------------------
A
P
A
---
T
V
T
---
A
K
N
R
F
F
R
G
V
E
F
L
--
Q
R
K
G
F
K
L
V
S
G
K
L
T
G
K
T
D
F
Y
R
S
G
T
I
K
E
R
A
Q
E
F
N
E
L
V
Y
N
P
D
I
T
C
I
M
S
T
I
G
G
D
N
S
N
S
L
L
P
F
L
D
Y
D
A
I
-
I
A
N
P
K
I
I
I
G
Y
S
D
T
T
A
L
L
A
-
G
I
Y
A
K
T
G
L
I
T
F
Y
G
-------
P
A
L
I
P
S
F
-
G
------------
E
H
P
---
P
-------
L
V
-------------
D
I
T
Y
E
S
--
F
I
K
I
L
T
---------
R
K
Q
A
G
I
Y
T
---------
Y
T
----
L
P
E
KWSD
E
------
S
I
N
W
---
N
--
E
N
KILRP
K
K
L
Y
K
NN
C
A
F
Y
G
S
G
K
V
-
E
G
R
V
I
G
G
N
L
N
T
L
T
G
I
W
G
S
E
W
M
P
-
E
I
R
--
N
G
D
I
L
F
I
E
D
----
S
R
K
S
I
A
T
-
V
E
R
L
F
S
M
L
K
L
N
R
V
F
D
--
K
V
S
A
I
I
L
G
K
HE
L
F
D
C
------------------------------------------------------------
10
PsiBlast_PDB
55.67
25%
-97
- C4 -
3TLE
1
MCCF_ECOLX
A:
[53-308]
------------------------
A
P
A
---
T
V
T
---
A
K
N
R
F
F
R
G
V
E
F
L
--
Q
R
K
G
F
K
L
V
S
G
K
L
T
G
K
T
D
F
Y
R
S
G
T
I
K
E
R
A
Q
E
F
N
E
L
V
Y
N
P
D
I
T
C
I
M
S
T
I
G
G
D
N
S
N
S
L
L
P
F
L
D
Y
D
A
I
-
I
A
N
P
K
I
I
I
G
Y
S
D
T
T
A
L
L
A
-
G
I
Y
A
K
T
G
L
I
T
F
Y
G
-------
P
A
L
I
P
S
F
-
G
------------
E
H
P
---
P
-------
L
V
-------------
D
I
T
Y
E
S
--
F
I
K
I
L
T
---------
R
K
Q
S
G
I
Y
T
---------
Y
T
----
L
P
E
KWSD
E
------
S
I
N
W
---
N
--
E
N
KILRP
K
K
L
Y
K
NN
C
A
F
Y
G
S
G
K
V
-
E
G
R
V
I
G
G
N
L
N
T
L
T
G
I
W
G
S
E
W
M
P
-
E
I
R
--
N
G
D
I
L
F
I
E
D
----
S
R
K
S
I
A
T
-
V
E
R
L
F
S
M
L
K
L
N
R
V
F
D
--
K
V
S
A
I
I
L
G
K
HE
L
F
D
C
------------------------------------------------------------
16
PsiBlast_PDB
55.63
25%
-96
- C4 -
3TLY
4
MCCF_ECOLX
A:
[53-308]
------------------------
A
P
A
---
T
V
T
---
A
K
N
R
F
F
R
G
V
E
F
L
--
Q
R
K
G
F
K
L
V
S
G
K
L
T
G
K
T
D
F
Y
R
S
G
T
I
K
E
R
A
Q
E
F
N
E
L
V
Y
N
P
D
I
T
C
I
M
S
T
I
G
G
D
N
S
N
S
L
L
P
F
L
D
Y
D
A
I
-
I
A
N
P
K
I
I
I
G
Y
A
D
T
T
A
L
L
A
-
G
I
Y
A
K
T
G
L
I
T
F
Y
G
-------
P
A
L
I
P
S
F
-
G
------------
E
H
P
---
P
-------
L
V
-------------
D
I
T
Y
E
S
--
F
I
K
I
L
T
---------
R
K
Q
S
G
I
Y
T
---------
Y
T
----
L
P
E
KWSD
E
------
S
I
N
W
---
N
--
E
N
KILRP
K
K
L
Y
K
NN
C
A
F
Y
G
S
G
K
V
-
E
G
R
V
I
G
G
N
L
A
T
L
T
G
I
W
G
S
E
W
M
P
-
E
I
R
--
N
G
D
I
L
F
I
E
D
----
S
R
A
S
I
A
T
-
V
E
R
L
F
S
M
L
K
L
N
R
V
F
D
--
K
V
S
A
I
I
L
G
K
HE
L
F
D
C
------------------------------------------------------------
9
PsiBlast_PDB
55.41
25%
-95
- C4 -
3TLA
1
MCCF_ECOLX
A:
[53-308]
------------------------
A
P
A
---
T
V
T
---
A
K
N
R
F
F
R
G
V
E
F
L
--
Q
R
K
G
F
K
L
V
S
G
K
L
T
G
K
T
D
F
Y
R
S
G
T
I
K
E
R
A
Q
E
F
N
E
L
V
Y
N
P
D
I
T
C
I
M
S
T
I
G
G
D
N
S
N
S
L
L
P
F
L
D
Y
D
A
I
-
I
A
N
P
K
I
I
I
G
Y
S
D
T
T
A
L
L
A
-
G
I
Y
A
K
T
G
L
I
T
F
Y
G
-------
P
A
L
I
P
S
F
-
G
------------
E
H
P
---
P
-------
L
V
-------------
D
I
T
Y
E
S
--
F
I
K
I
L
T
---------
R
K
Q
S
G
I
Y
T
---------
Y
T
----
L
P
E
KWSD
E
------
S
I
N
W
---
N
--
E
N
KILRP
K
K
L
Y
K
NN
C
A
F
Y
G
S
G
K
V
-
E
G
R
V
I
G
G
N
L
N
T
L
T
G
I
W
G
S
E
W
M
P
-
E
I
R
--
N
G
D
I
L
F
I
E
D
----
S
R
K
S
I
A
T
-
V
E
R
L
F
S
M
L
K
L
N
R
V
F
D
--
K
V
S
A
I
I
L
G
K
HE
L
F
D
C
------------------------------------------------------------
15
PsiBlast_PDB
55.29
25%
-97
- C4 -
4IIY
9
MCCF_ECOLX
A:
[53-308]
------------------------
A
P
A
---
T
V
T
---
A
K
N
R
F
F
R
G
V
E
F
L
--
Q
R
K
G
F
K
L
V
S
G
K
L
T
G
K
T
D
F
Y
R
S
G
T
I
K
E
R
A
Q
E
F
N
E
L
V
Y
N
P
D
I
T
C
I
M
S
T
I
G
G
D
N
S
N
S
L
L
P
F
L
D
Y
D
A
I
-
I
A
N
P
K
I
I
I
G
Y
A
D
T
T
A
L
L
A
-
G
I
Y
A
K
T
G
L
I
T
F
Y
G
-------
P
A
L
I
P
S
F
-
G
------------
E
H
P
---
P
-------
L
V
-------------
D
I
T
Y
E
S
--
F
I
K
I
L
T
---------
R
K
Q
S
G
I
Y
T
---------
Y
T
----
L
P
E
KWSD
E
------
S
I
N
W
---
N
--
E
N
KILRP
K
K
L
Y
K
NN
C
A
F
Y
G
S
G
K
V
-
E
G
R
V
I
G
G
N
L
N
T
L
T
G
I
W
G
S
E
W
M
P
-
E
I
R
--
N
G
D
I
L
F
I
E
D
----
S
R
K
S
I
A
T
-
V
E
R
L
F
S
M
L
K
L
N
R
V
F
D
--
K
V
S
A
I
I
L
G
K
HE
L
F
D
C
------------------------------------------------------------
7
PsiBlast_PDB
55.08
26%
-96
- C4 -
3TLZ
4
MCCF_ECOLX
A:
[53-308]
------------------------
A
P
A
---
T
V
T
---
A
K
N
R
F
F
R
G
V
E
F
L
--
Q
R
K
G
F
K
L
V
S
G
K
L
T
G
K
T
D
F
Y
R
S
G
T
I
K
E
R
A
Q
E
F
N
E
L
V
Y
N
P
D
I
T
C
I
M
S
T
I
G
G
D
N
S
N
S
L
L
P
F
L
D
Y
D
A
I
-
I
A
N
P
K
I
I
I
G
Y
S
D
T
T
A
L
L
A
-
G
I
Y
A
K
T
G
L
I
T
F
Y
G
-------
P
A
L
I
P
S
F
-
G
------------
E
H
P
---
P
-------
L
V
-------------
D
I
T
Y
E
S
--
F
I
K
I
L
T
---------
R
K
Q
S
G
I
Y
T
---------
Y
T
----
L
P
E
----
K
WSDESI
N
F
N
E
---
N
--
K
I
LRP
K
K
L
Y
K
NN
C
A
F
Y
G
S
G
--
K
V
-
E
G
R
V
I
G
G
N
L
N
T
L
T
G
I
W
G
S
E
W
M
P
-
E
I
R
--
N
G
D
I
L
F
I
E
D
----
S
R
K
S
I
A
T
-
V
E
R
L
F
S
M
L
K
L
N
R
V
F
D
--
K
V
S
A
I
I
L
G
K
HE
L
F
D
C
------------------------------------------------------------