@TOME V2.3
(Mar 2018)
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 : B0VKW9: (2017-10-30 )
MNSITLLQPDDWHAHLRDGLALKRTVPDLAKQFARAICMPNLVPPVKTVEEALAYRERILAHVPEGNNFDPRMVLYFTDHTSPDEVRKIKESEHVNAIKLYPAGATTNSNNGVSDIRKVYAVIEQLEEHQVPLLLHGEVTHNHVDIFDREKRFLDEVLSPLLKQFPKLKVVLEHITTSDAAHFVLEQDRNVAATITPQHLLFNRNDMLVGGIKPYFYCLPILKRQTHQTTLLEVATSGNPKFFLGTDSAPHAQNAKENACGCAGCYSAPNAIELYAQAFDQVGKLERLEGFASHFGADFYGLPRNTSTITLVKEDNLVPESFDYLDNQKIIPLHAGKTLQWRKV
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..
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
MN
S
I
T
LLQPD
D
W
H
A
H
L
R
D-G-------L----------------------
A
-------------------------------
L
K
R
-
T
V
P
D
-----
L
A
K
Q
F
A
R
A
ICMPNLVP
P
V
---------
K
T
V
E
E
A
L
A
Y
R
E
R
I
L
A
H---VPEGNNFDP
R
M
V
L
Y
FTD--H--T---
S
---
P
--
D
E
V
R
K
I
K
E-SEHV
N
A
I
K
L
Y
PAGATTNSN-N
G
V
S
D
I
R
K
V
Y
A
V
I
E
Q
L
E
EHQV
P
L
--------
L
L
H--------GEVTHNHV---------------------
D
---------------------
I
F
-------
D
--------
R
E
--
K
R
F
L
D
E
V
L
S
P
L
L
K
QF-----
P
K
L
K
V
V
L
E
HITTS---
D
A
--------
A
H
-
F
-------------------
V
L
E--QD---R
N
V
A
A
T
I
T
P
Q
H
L
L
FNRND
M
L
VG--G--I
K
P
Y
F
Y
C
L
P
I
L
KRQ-TH
Q
T
T
L
L
E
V
A-T-SGNP
K
F
F
L
GTDSAPHAQNAKE----N-----ACGCAGCYSA-
P
N
A
I
E
L
Y
A
Q
A
F
--
D
-QVG
K
L
E
R
L
E
G
F
A
S
HFG
A
D
FYGLPRNT
S
T
I
T
L
V
KE-DNLVPESFDYLDN
Q
K
I
I
P
LHAGKT
L
Q
W
RKV
1
PsiBlast_PDB
92.46
58%
-101
- C2 -
-
5VGM
-
PYRC_VIBCH
A:
[4-342]
M
T
T
L
T
I
T
R
P
D
D
W
H
V
H
L
R
D
-
G
-------
D
----------------------
V
-------------------------------
L
A
D
-
T
V
R
D
-----
I
S
R
Y
N
G
R
A
L
I
M
P
N
T
V
P
P
V
---------
T
T
T
E
M
A
L
A
Y
R
E
R
I
M
A
A
---
Q
---
H
-
F
E
P
L
M
A
L
Y
L
T
D
--
N
--
T
---
S
---
P
--
E
E
I
R
K
A
K
A
-
S
G
K
V
V
A
A
-
L
Y
P
----------
G
V
T
S
A
K
N
I
Y
P
V
L
Q
A
M
Q
E
V
G
M
L
L
--------
L
V
H
--------
G
E
V
T
T
H
E
V
---------------------
D
---------------------
I
F
-------
D
--------
R
E
--
K
T
F
L
D
T
V
L
A
P
I
V
N
D
F
-----
P
Q
L
K
I
V
L
E
H
I
T
T
A
---
D
A
--------
V
T
-
F
-------------------
V
Q
Q
--
A
G
---
D
N
V
A
A
T
I
T
A
H
H
L
L
F
N
R
N
H
M
L
V
G
--
G
--
I
R
P
H
F
Y
C
L
P
I
L
K
R
A
-
T
H
Q
H
A
L
V
A
A
A
-
T
-
S
G
S
K
K
F
F
L
G
T
D
S
A
P
H
A
K
G
R
K
E
----
A
-----
A
-
G
-
A
G
S
Y
T
A
-
H
A
A
L
E
L
Y
A
E
V
F
--
E
-
K
E
G
K
L
E
N
L
E
A
F
A
S
F
N
G
P
D
F
Y
G
L
P
R
N
Q
E
T
V
T
L
T
K
Q
-
A
W
P
V
A
E
S
M
P
F
-
G
S
D
I
V
V
P
I
R
A
G
E
N
I
E
W
---
2
PsiBlast_PDB
91.67
51%
-107
- C2 -
-
5V0G
1
PYRC_YERPE
A:
[30-368]
-
Q
T
L
K
I
R
R
P
D
D
W
H
I
H
L
R
D
-
D
-------
E
----------------------
M
-------------------------------
L
S
T
-
V
L
P
Y
-----
T
S
E
V
F
A
R
A
I
V
M
P
N
L
A
Q
P
I
---------
T
T
V
A
S
A
I
A
Y
R
E
R
I
L
A
A
---
V
P
A
G
H
K
F
T
P
L
M
T
C
Y
L
T
N
--
S
--
L
---
D
---
A
--
K
E
L
T
T
G
F
E
-
Q
G
V
F
T
A
A
-
L
Y
P
A
N
A
T
T
N
S
T
-
H
G
V
S
D
I
P
A
I
Y
P
L
F
E
Q
M
Q
K
I
G
M
P
L
--------
L
I
H
--------
G
E
V
T
D
A
A
V
---------------------
D
---------------------
I
F
-------
D
--------
R
E
--
A
R
F
I
D
Q
I
L
E
P
I
R
Q
K
F
-----
P
E
L
K
I
V
F
E
H
I
T
T
K
---
D
A
--------
A
D
-
Y
-------------------
V
L
A
--
G
N
---
R
F
L
G
A
T
V
T
P
Q
H
L
M
F
N
R
N
H
M
L
V
G
--
G
--
I
R
P
H
L
F
C
L
P
I
L
K
R
S
-
T
H
Q
Q
A
L
R
A
A
V
-
A
-
S
G
S
D
R
F
F
L
G
T
D
S
A
P
H
A
K
H
R
K
E
----
S
-----
S
-
G
-
A
G
V
F
N
A
-
P
A
A
L
P
A
Y
A
S
V
F
--
E
-
E
L
N
A
L
Q
H
L
E
A
F
C
A
L
N
G
P
R
F
Y
G
L
P
V
N
D
D
V
V
E
L
V
R
T
-
P
F
L
Q
P
E
E
I
P
-
L
G
N
E
S
V
I
P
F
L
A
G
Q
T
L
N
W
---
17
PsiBlast_CBE
90.71
50%
-104
- C2 -
-
5V0G
1
PYRC_YERPE
D:
[30-368]
-
Q
T
L
K
I
R
R
P
D
D
W
H
I
H
L
R
D
-
D
-------
E
----------------------
M
-------------------------------
L
S
T
-
V
L
P
Y
-----
T
S
E
V
F
A
R
A
I
V
M
P
N
L
A
Q
P
I
---------
T
T
V
A
S
A
I
A
Y
R
E
R
I
L
A
A
---
V
P
A
G
H
K
F
T
P
L
M
T
C
Y
L
T
N
--
S
--
L
---
D
---
A
--
K
E
L
T
T
G
F
E
--
Q
G
V
F
T
A
A
L
Y
P
A
N
A
T
T
N
S
T
-
H
G
V
S
D
I
P
A
I
Y
P
L
F
E
Q
M
Q
K
I
G
M
P
L
--------
L
I
H
--------
G
E
V
T
D
A
A
V
---------------------
D
---------------------
I
F
-------
D
--------
R
E
--
A
R
F
I
D
Q
I
L
E
P
I
R
Q
K
F
-----
P
E
L
K
I
V
F
E
H
I
T
T
K
---
D
A
--------
A
D
-
Y
-------------------
V
L
A
--
G
N
---
R
F
L
G
A
T
V
T
P
Q
H
L
M
F
N
R
N
H
M
L
V
G
--
G
--
I
R
P
H
L
F
C
L
P
I
L
K
R
S
-
T
H
Q
Q
A
L
R
A
A
V
-
A
-
S
G
S
D
R
F
F
L
G
T
D
S
A
P
H
A
K
H
R
K
E
----
S
-----
S
--
G
A
G
V
F
N
A
-
P
A
A
L
P
A
Y
A
S
V
F
--
E
-
E
L
N
A
L
Q
H
L
E
A
F
C
A
L
N
G
P
R
F
Y
G
L
P
V
N
D
D
V
V
E
L
V
R
T
-
P
F
L
Q
P
E
E
I
P
-
L
G
N
E
S
V
I
P
F
L
A
G
Q
T
L
N
W
---
19
PsiBlast_CBE
90.52
50%
-103
- C2 -
-
5V0G
1
PYRC_YERPE
B:
[30-368]
-
Q
T
L
K
I
R
R
P
D
D
W
H
I
H
L
R
D
-
D
-------
E
----------------------
M
-------------------------------
L
S
T
-
V
L
P
Y
-----
T
S
E
V
F
A
R
A
I
V
M
P
N
L
A
Q
P
I
---------
T
T
V
A
S
A
I
A
Y
R
E
R
I
L
A
A
---
V
P
A
G
H
K
F
T
P
L
M
T
C
Y
L
T
N
--
S
--
L
---
D
---
A
--
K
E
L
T
T
G
F
E
--
Q
G
V
F
T
A
A
L
Y
P
A
N
A
T
T
N
S
T
-
H
G
V
S
D
I
P
A
I
Y
P
L
F
E
Q
M
Q
K
I
G
M
P
L
--------
L
I
H
--------
G
E
V
T
D
A
A
V
---------------------
D
---------------------
I
F
-------
D
--------
R
E
--
A
R
F
I
D
Q
I
L
E
P
I
R
Q
K
F
-----
P
E
L
K
I
V
F
E
H
I
T
T
K
---
D
A
--------
A
D
-
Y
-------------------
V
L
A
--
G
N
---
R
F
L
G
A
T
V
T
P
Q
H
L
M
F
N
R
N
H
M
L
V
G
--
G
--
I
R
P
H
L
F
C
L
P
I
L
K
R
S
-
T
H
Q
Q
A
L
R
A
A
V
-
A
-
S
G
S
D
R
F
F
L
G
T
D
S
A
P
H
A
K
H
R
K
E
----
S
-----
S
--
G
A
G
V
F
N
A
-
P
A
A
L
P
A
Y
A
S
V
F
--
E
-
E
L
N
A
L
Q
H
L
E
A
F
C
A
L
N
G
P
R
F
Y
G
L
P
V
N
D
D
V
V
E
L
V
R
T
-
P
F
L
Q
P
E
E
I
P
-
L
G
N
E
S
V
I
P
F
L
A
G
Q
T
L
N
W
---
15
PsiBlast_CBE
90.51
50%
-105
- C2 -
-
5V0G
1
PYRC_YERPE
F:
[30-368]
-
Q
T
L
K
I
R
R
P
D
D
W
H
I
H
L
R
D
-
D
-------
E
----------------------
M
-------------------------------
L
S
T
-
V
L
P
Y
-----
T
S
E
V
F
A
R
A
I
V
M
P
N
L
A
Q
P
I
---------
T
T
V
A
S
A
I
A
Y
R
E
R
I
L
A
A
---
V
P
A
G
H
K
F
T
P
L
M
T
C
Y
L
T
N
--
S
--
L
---
D
---
A
--
K
E
L
T
T
G
F
E
--
Q
G
V
F
T
A
A
L
Y
P
A
N
A
T
T
N
S
T
-
H
G
V
S
D
I
P
A
I
Y
P
L
F
E
Q
M
Q
K
I
G
M
P
L
--------
L
I
H
--------
G
E
V
T
D
A
A
V
---------------------
D
---------------------
I
F
-------
D
--------
R
E
--
A
R
F
I
D
Q
I
L
E
P
I
R
Q
K
F
-----
P
E
L
K
I
V
F
E
H
I
T
T
K
---
D
A
--------
A
D
-
Y
-------------------
V
L
A
--
G
N
---
R
F
L
G
A
T
V
T
P
Q
H
L
M
F
N
R
N
H
M
L
V
G
--
G
--
I
R
P
H
L
F
C
L
P
I
L
K
R
S
-
T
H
Q
Q
A
L
R
A
A
V
-
A
-
S
G
S
D
R
F
F
L
G
T
D
S
A
P
H
A
K
H
R
K
E
----
S
-----
S
--
G
A
G
V
F
N
A
-
P
A
A
L
P
A
Y
A
S
V
F
--
E
-
E
L
N
A
L
Q
H
L
E
A
F
C
A
L
N
G
P
R
F
Y
G
L
P
V
N
D
D
V
V
E
L
V
R
T
-
P
F
L
Q
P
E
E
I
P
-
L
G
N
E
S
V
I
P
F
L
A
G
Q
T
L
N
W
---
18
PsiBlast_CBE
90.38
50%
-103
- C2 -
-
5V0G
1
PYRC_YERPE
C:
[30-368]
-
Q
T
L
K
I
R
R
P
D
D
W
H
I
H
L
R
D
-
D
-------
E
----------------------
M
-------------------------------
L
S
T
-
V
L
P
Y
-----
T
S
E
V
F
A
R
A
I
V
M
P
N
L
A
Q
P
I
---------
T
T
V
A
S
A
I
A
Y
R
E
R
I
L
A
A
---
V
P
A
G
H
K
F
T
P
L
M
T
C
Y
L
T
N
--
S
--
L
---
D
---
A
--
K
E
L
T
T
G
F
E
--
Q
G
V
F
T
A
A
L
Y
P
A
N
A
T
T
N
S
T
-
H
G
V
S
D
I
P
A
I
Y
P
L
F
E
Q
M
Q
K
I
G
M
P
L
--------
L
I
H
--------
G
E
V
T
D
A
A
V
---------------------
D
---------------------
I
F
-------
D
--------
R
E
--
A
R
F
I
D
Q
I
L
E
P
I
R
Q
K
F
-----
P
E
L
K
I
V
F
E
H
I
T
T
K
---
D
A
--------
A
D
-
Y
-------------------
V
L
A
--
G
N
---
R
F
L
G
A
T
V
T
P
Q
H
L
M
F
N
R
N
H
M
L
V
G
--
G
--
I
R
P
H
L
F
C
L
P
I
L
K
R
S
-
T
H
Q
Q
A
L
R
A
A
V
-
A
-
S
G
S
D
R
F
F
L
G
T
D
S
A
P
H
A
K
H
R
K
E
----
S
-----
S
--
G
A
G
V
F
N
A
-
P
A
A
L
P
A
Y
A
S
V
F
--
E
-
E
L
N
A
L
Q
H
L
E
A
F
C
A
L
N
G
P
R
F
Y
G
L
P
V
N
D
D
V
V
E
L
V
R
T
-
P
F
L
Q
P
E
E
I
P
-
L
G
N
E
S
V
I
P
F
L
A
G
Q
T
L
N
W
---
45
HHSearch
48.13
19%
22
- C2 -
-
3GRI
-
PYRC_STAAC
A:
[48-377]
--
H
F
V
S
P
G
F
V
D
V
H
V
H
L
R
E
-
P
GGEYK--
E
----------------------
T
-------------------------------
I
E
T
G
T
K
A
A
-----
A
R
G
G
F
T
T
V
C
P
M
P
N
T
R
P
V
P
---------
D
S
V
E
H
F
E
A
L
Q
K
L
I
D
D
N
---
A
--
Q
V
R
V
L
P
Y
A
S
--
I
T
T
--
R
--
Q
---
L
GKE
L
--
V
D
F
P
A
L
V
K
-
E
G
-
A
F
A
F
T
D
D
G
V
G
---------
V
Q
T
A
S
M
M
Y
E
G
M
I
E
A
A
K
V
N
K
A
I
--------
V
A
H
--------
C
E
D
N
S
L
I
Y
GGAMHEG
K
R
S
K
E
L
G
I
P
G
----
I
---------------------
P
N
-------
I
--------
C
E
--
S
V
Q
I
A
R
D
-
V
L
L
A
-
E
A
-----
A
G
C
H
Y
H
V
C
H
V
S
T
K
---
E
S
--------
V
R
-
V
-------------------
I
R
D
--
A
K
R
A
G
I
H
V
T
A
E
V
T
P
H
H
L
L
L
T
E
D
D
I
P
G
------
N
N
A
I
Y
K
M
N
P
P
L
R
S
T
-
E
D
R
E
A
L
L
E
G
L
-
L
-
D
G
T
I
D
-
C
I
A
T
D
H
A
P
H
A
R
D
E
K
A
Q---
P
M----
E
K
A
P
F
G
I
V
G
S
-
E
T
A
F
P
L
L
Y
T
H
F
VK
N
-
G
D
W
T
L
Q
Q
L
V
D
Y
L
T
I
K
P
C
E
T
F
N
L
E
--
Y
G
T
L
K
E
N
G
Y
A
D
L
T
I
--------------------------
44
HHSearch
47.86
19%
21
- C2 -
-
3GRI
-
PYRC_STAAC
B:
[48-377]
--
H
F
V
S
P
G
F
V
D
V
H
V
H
L
R
E
-
P
GGEYK--
E
----------------------
T
-------------------------------
I
E
T
G
T
K
A
A
-----
A
R
G
G
F
T
T
V
C
P
M
P
N
T
R
P
V
P
---------
D
S
V
E
H
F
E
A
L
Q
K
L
I
D
D
N
---
A
--
Q
V
R
V
L
P
Y
A
S
--
I
T
T
--
R
--
Q
---
L
GKE
L
--
V
D
F
P
A
L
V
K
-
E
G
-
A
F
A
F
T
D
D
G
V
G
---------
V
Q
T
A
S
M
M
Y
E
G
M
I
E
A
A
K
V
N
K
A
I
--------
V
A
H
--------
C
E
D
N
S
L
I
Y
GGAMHEGKRSKELGIPG----
I
---------------------
P
N
-------
I
--------
C
E
--
S
V
Q
I
A
R
D
-
V
L
L
A
-
E
A
-----
A
G
C
H
Y
H
V
C
H
V
S
T
K
---
E
S
--------
V
R
-
V
-------------------
I
R
D
--
A
K
RAG
I
H
V
T
A
E
V
T
P
H
H
L
L
L
T
E
D
D
I
P
G
------
N
N
A
I
Y
K
M
N
P
P
L
R
S
T
-
E
D
R
E
A
L
L
E
G
L
-
L
-
D
G
T
I
D
-
C
I
A
T
D
H
A
P
H
A
R
D
E
K
A
Q---
P
M----
E
K
A
P
F
G
I
V
G
S
-
E
T
A
F
P
L
L
Y
T
H
F
VK
N
-
G
D
W
T
L
Q
Q
L
V
D
Y
L
T
I
K
P
C
E
T
F
N
L
E
--
Y
G
T
L
K
E
N
G
Y
A
D
L
T
I
--------------------------
63
HHSearch
45.32
20%
26
- C2 -
-
3MPG
-
PYRC_BACAN
A:
[49-373]
--
K
L
I
A
P
G
L
V
D
V
H
V
H
L
R
E
-
P
GGEHK--
E
----------------------
T
-------------------------------
I
E
T
G
T
L
A
A
-----
A
K
G
G
F
T
T
I
C
A
M
P
N
T
R
P
V
P
---------
D
C
R
E
H
M
E
D
L
Q
N
R
I
K
E
K
---
A
--
H
V
N
V
L
P
Y
G
A
I
T
V
R
Q
--
A
G-
S
---
E
---
M
--
T
D
F
E
T
L
K
E
-
L
G
-
A
F
A
F
T
D
D
G
V
G
---------
V
Q
D
A
S
M
M
L
A
A
M
K
R
A
A
K
L
N
M
A
V
--------
V
A
H
--------
C
E
E
N
T
L
I
N
KGCVHEG
K
F
S
E
K
H
G
L
N
-----
G
I
--------------------
P
S
-------
V
--------
C
E
--
S
V
H
I
A
R
D
-
I
L
L
A
-
E
A
-----
A
D
C
H
Y
H
V
C
H
V
S
T
K
---
G
S
--------
V
R
-
V
-------------------
I
R
D
--
A
K
R
A
G
I
K
V
T
A
E
V
T
P
H
H
L
V
L
C
E
D
D
I
P
S
------
A
D
P
N
F
K
M
N
P
P
L
R
G
K
-
E
D
H
E
A
L
I
E
G
L
-
L
-
D
G
T
I
D
-
M
I
A
T
D
H
A
P
H
T
A
E
E
K
A
----
Q
GI---
E
R
A
P
F
G
I
T
G
F
-
E
T
A
F
P
L
L
Y
T
N
L
V-
K
K
G
I
I
T
L
E
Q
L
I
Q
F
L
T
E
K
P
A
D
T
F
G
L
E
--
A
G
R
L
K
E
G
R
T
-------------------------------
62
HHSearch
45.17
21%
38
- C2 -
-
2Z00
-
PYRC_THET8
A:
[44-374]
-
G
C
F
L
A
P
G
F
L
D
L
H
A
H
L
R
E
-
P
GEEVK--
E
----------------------
D
-------------------------------
L
F
S
G
L
L
A
A
-----
V
R
G
G
Y
T
D
L
V
S
M
P
N
T
K
P
P
V
---------
D
T
P
E
A
V
R
A
L
K
E
K
A
K
A
L
---
G
--
L
A
R
L
H
P
A
A
A
--
L
T
E
--
K
--
Q
---
E
---
G
KT
L
T
P
A
G
L
L
R
E
A
G
-
A
V
L
L
T
D
D
G
R
T
---------
N
E
D
A
G
V
L
A
A
G
L
L
M
A
A
P
L
G
L
P
V
--------
A
V
H
--------
A
E
D
A
G
L
R
R
NGVMNDG
P
L
A
D
L
L
G
L
P
G
----
N
---------------------
P
P
-------
E
--------
A
E
--
A
A
R
I
A
R
D
-
L
E
V
L
R
Y
A
L
R
R
SP
A
T
P
R
L
H
V
Q
H
L
S
T
K
---
R
G
--------
L
E
-
L
-------------------
V
R
E
--
A
K
R
A
G
L
P
V
T
A
E
A
T
P
H
H
L
T
L
T
E
E
A
L
R
T
------
F
D
P
L
F
K
V
A
P
P
L
R
G
E
-
E
D
R
E
A
L
L
E
G
L
-
L
-
D
G
T
-
L
D
A
I
A
T
D
H
A
P
H
T
L
A
E
K
E
----
K
DL---
L
R
A
P
F
G
I
P
S
L
-
E
V
A
F
P
L
L
Y
T
E
L
HL
K
-
R
G
F
P
L
Q
R
L
V
E
L
F
T
D
G
P
R
R
V
L
G
L
P
P
--
L
H
L
E
E
G
A
--------------------------------
6
PsiBlast_PDB
41.23
23%
33
- C2 -
-
4BJH
5
PYRC_AQUAE
A:
[93-382]
----------
D
I
H
V
H
L
R
D
P
G
-------
Q
----------------------
T
-------------------------------
Y
K
E
-
D
I
E
S
G
S
R
C
A
V
A
G
G
F
T
T
I
V
C
M
P
N
T
N
P
P
I
DN-------
T
T
V
V
N
Y
I
L
Q
K
S
K
S
V
G
L
C
R
V
L
P
T
G
----------------------
T
---
I
--
T
K
G
R
K
G
K
E
-
I
A
D
F
Y
S
L
K
E
A
G
C
V
A
F
T
D
D
G
-
S
P
V
M
D
S
S
V
M
R
K
A
L
E
L
A
S
Q
L
G
V
P
I
M
D
ACEDDK
L
A
Y
--------
G
V
I
N
E
G
E
V
---------------------
S
---------------------
A
L
L
GL
S
S
R
-
A
--------
P
E
--
A
E
E
I
Q
I
A
R
D
G
I
L
A
Q
R
-----
T
G
G
H
V
H
I
Q
A
V
S
T
K
L
S
L
E
I
--------
I
E
-
F
-------------------
F
K
E
--
K
G
---
V
K
I
T
C
E
V
N
P
N
H
L
L
F
T
E
R
E
V
L
N
S
--
G
--
A
N
A
R
V
N
--
P
P
L
R
K
K
-
E
D
R
L
A
L
I
E
G
V
-
K
-
R
G
I
I
D
C
F
-
A
T
D
H
A
P
H
Q
T
F
E
K
E
LVEF
A
-----
M
P
G
I
I
G
L
Q
T
A
L
P
S
A
L
E
L
Y
R
K
G
I
--
I
-
S
L
K
K
L
------------------------------------------------------------
25
Fugue
40.49
13%
-78
- C2 -
-
1M65
-
YCDX_ECOLI
A:
[2-245]
-------
Y
P
V
D
L
H
M
H
T
V
A
-
S
-------
T
----------------------
H
-------------------------------
A
Y
S
-
T
L
S
D
-----
Y
I
A
Q
A
K
Q
K
----------------------------------------------
G
I
K
L
F
A
I
T
D
--
H
--
G
---
P
---
D
--
M
E
--
D
A
P
H
-
H
W
H
F
I
N
M
R
I
W
P
-----
R
V
V
-
D
G
V
G
I
L
R
G
I
E
A
N
I
K
N
------------------------------
V
D
G
E
I
---------------------
D
---------------------
C
S
-------
G
--------
K
M
--
F
D
S
L
D
L
I
I
A
G
F
H
E
P
V
-----
F
A
P
H
--
D
K
A
T
N
T
Q
---
A
M
--------
I
A
-
T
-------------------
I
A
S
--
G
N
---
V
H
I
I
S
H
P
G
N
P
K
Y
E
I
D
V
K
A
V
A
E
A
--
A
--
A
K
H
Q
V
--
A
L
E
I
N
N
S
-
S
N
C
R
E
V
A
A
A
V
-
R
-
D
A
G
G
W
V
A
L
G
S
D
--------------------------------------
S
H
T
A
--
F
-
T
M
G
E
F
E
E
C
L
K
I
L
D
A
V
D
F
P
---------
P
E
R
I
L
N
V
-
S
--
P
R
R
L
L
N
F
L
E
S
R
G
M
A
P
I
A
E
F
A
D
L
-----
5
PsiBlast_PDB
39.66
23%
34
- C2 -
-
3D6N
-
PYRC_AQUAE
A:
[59-348]
----------
D
I
H
V
H
L
R
D
P
G
-------
Q
----------------------
T
-------------------------------
Y
K
E
-
D
I
E
S
G
S
R
C
A
V
A
G
G
F
T
T
I
V
C
M
P
N
T
N
P
P
I
DN-------
T
T
V
V
N
Y
I
L
Q
K
S
K
S
V
G
L
C
R
V
L
P
T
G
----------------------
T
---
I
--
T
K
G
R
K
G
K
E
-
I
A
D
F
Y
S
L
K
E
A
G
C
V
A
F
T
D
D
G
-
S
P
V
M
D
S
S
V
M
R
K
A
L
E
L
A
S
Q
L
G
V
P
I
--------
M
D
H
CEDDKLAY
G
V
I
N
E
G
E
V
---------------------
S
---------------------
A
L
L
GL
S
S
R
-
A
--------
P
E
--
A
E
E
I
Q
I
A
R
D
G
I
L
A
Q
R
-----
T
G
G
H
V
H
I
Q
H
V
S
T
K
L
S
L
E
I
--------
I
E
-
F
-------------------
F
K
E
--
K
G
---
V
K
I
T
C
E
V
N
P
N
H
L
L
F
T
E
R
E
V
L
N
S
--
G
--
A
N
A
R
V
N
--
P
P
L
R
K
K
-
E
D
R
L
A
L
I
E
G
V
-
K
-
R
G
I
I
D
C
F
-
A
T
D
H
A
P
H
Q
T
F
E
K
E
LVEF
A
-----
M
P
G
I
I
G
L
Q
T
A
L
P
S
A
L
E
L
Y
R
K
G
I
--
I
-
S
L
K
K
L
------------------------------------------------------------
42
HHSearch
38.93
14%
37
- C2 -
-
4GZ7
3
?
A:
[52-401]
-
D
R
L
V
I
P
G
G
I
D
T
H
T
H
M
E
L
-
A
FMGTRAV
D
----------------------
D
-------------------------------
F
H
I
G
T
K
A
A
-----
L
A
G
G
T
T
M
I
L
D
F
V
M
T
Q
K
G
Q
---------
S
L
L
E
A
Y
D
L
W
R
K
T
A
D
P
K
---
V
--
C
C
D
Y
S
L
H
V
A
--
V
T
W
WS
D
--
E
---
V
---
K
--
D
E
M
R
T
L
A
Q
E
R
G
-
V
N
S
F
K
M
F
M
A
Y
K
G
L
-----
F
M
L
R
D
D
E
L
Y
A
V
F
S
H
C
K
E
V
G
A
I
A
--------
Q
V
H
--------
A
E
N
G
D
L
-
I
A
E
G
A
K
K
M
L
S
L
GITG
P
E
G
H
E
L
C
R
---------------------
P
E
-------
A
--------
V
E
--
A
E
A
T
Q
R
A
-
I
T
I
A
-
S
A
-----
V
N
C
P
L
Y
V
V
H
V
M
S
K
---
S
A
--------
A
D
-
V
-------------------
V
S
K
--
A
R
K
D
G
R
V
V
F
G
E
P
I
A
A
S
L
G
T
D
G
T
N
Y
W
H
K
--
D
W
A
H
A
A
Q
Y
V
M
G
P
P
L
R
P
D
P
S
T
P
G
Y
L
M
D
L
L
-
A
-
N
D
D
-
L
T
L
T
G
T
D
N
C
T
F
S
R
C
Q
K
A
L
GKD
D
F----
T
R
I
P
N
G
V
N
G
V
-
E
D
R
M
S
V
I
W
E
K
G
VH
S
-
G
K
M
D
E
N
R
F
V
A
V
T
S
S
N
A
A
K
I
F
N
F
Y
P
Q
K
G
R
I
A
K
D
S
D
A
D
V
V
I
--------------------------
55
HHSearch
38.16
16%
12
- C2 -
-
5E5C
-
HYDA_PSEAE
A:
[49-395]
--
Q
Y
L
M
P
G
G
I
D
P
H
T
H
M
Q
L
-
P
FMGTVAS
E
----------------------
D
-------------------------------
F
F
S
G
T
A
A
G
-----
L
A
G
G
T
T
S
I
I
D
F
V
I
P
N
P
R
Q
---------
S
L
L
E
A
F
H
T
W
R
G
W
A
-
Q
K
---
S
--
A
A
D
Y
G
F
H
V
A
--
I
T
W
--
W
--
S
D
E
-
V
---
A
--
R
E
M
G
E
L
V
A
Q
H
G
-
V
N
S
F
-
H
F
M
A
Y
K
N
A
-----
I
M
A
A
D
D
T
L
V
A
S
F
E
R
C
L
E
L
G
A
V
P
--------
T
V
H
--------
A
E
N
G
E
L
V
F
H
L
Q
Q
K
L
L
A
Q
GLTGPEA
H
P
L
S
-
R
---------------------
P
P
-------
Q
--------
V
E
--
G
E
A
A
S
R
A
-
I
R
I
A
E
T
------
L
G
T
P
L
Y
L
V
H
I
S
S
R
---
E
A
--------
L
D
-
E
-------------------
I
A
Y
--
A
R
A
K
G
Q
P
V
Y
G
E
V
L
A
G
H
L
L
L
D
D
S
V
Y
R
H
P
D
W
A
--
T
A
A
G
Y
V
M
S
P
P
F
R
P
V
-
E
H
Q
E
A
L
W
R
G
L
-
Q
-
S
G
N
L
H
-
T
T
A
T
D
H
C
C
F
C
A
E
Q
K
A
----
M
GRDDF
S
K
I
P
N
G
T
A
G
I
-
E
D
R
M
A
L
L
W
D
A
G
VN
S
-
G
R
L
S
M
H
E
F
V
A
L
T
S
T
N
T
A
K
I
F
N
L
F
P
R
K
G
A
I
R
V
G
A
D
A
D
L
V
L
--------------------------
41
HHSearch
37.96
13%
31
- C2 -
-
1KCX
-
DPYL1_MOUSE
B:
[62-406]
-
G
R
M
V
I
P
G
G
I
D
V
N
T
Y
L
Q
K
-
P
SQGMTSA
D
----------------------
D
-------------------------------
F
F
Q
G
T
K
A
A
-----
L
A
G
G
T
T
M
I
I
D
H
V
V
P
E
P
G
S
---------
S
L
L
T
S
F
E
K
W
H
E
A
A
D
T
K
---
S
--
C
C
D
Y
S
L
H
V
D
--
I
T
S
--
W
YD
G
---
V
---
R
--
E
E
L
E
V
L
V
Q
D
K
G
-
V
N
S
F
Q
V
Y
M
A
Y
K
D
L
----
Y
-
Q
M
S
D
S
Q
L
Y
E
A
F
T
F
L
K
G
L
G
A
V
I
--------
L
V
H
--------
A
E
N
G
D
L
-
I
---------------------
A
QEQKRILEMGITGPEGHALSR
P
E
-------
E
--------
L
E
--
A
E
A
V
F
R
A
-
I
A
I
A
-
G
R
-----
I
N
C
P
V
Y
I
T
K
V
M
S
K
---
S
A
--------
A
D
-
I
-------------------
I
A
L
--
A
R
KKG
P
L
V
F
G
E
P
I
A
A
S
L
G
T
D
G
T
H
Y
W
S
K
--
N
WA
K
A
A
A
F
V
T
S
P
P
L
S
P
D
P
T
T
P
D
Y
L
T
S
L
L
-
A
-
C
G
D
L
-
Q
V
T
G
S
G
H
C
P
Y
S
T
A
Q
K
A
----
V
GKDNF
T
L
I
P
E
G
V
N
G
I
-
E
E
R
M
T
V
V
W
D
K
A
V-
A
T
G
K
M
D
E
N
Q
F
V
A
V
T
S
T
N
A
A
K
I
F
N
L
Y
P
R
K
G
R
I
A
V
G
S
D
-------------------------------
3
PsiBlast_PDB
37.31
24%
8
- C2 -
-
1XRF
-
PYRC_AQUAE
A:
[104-393]
----------
D
I
H
V
H
L
R
D
P
G
-------
Q
----------------------
T
-------------------------------
Y
K
E
-
D
I
E
S
G
S
R
C
A
V
A
G
G
F
T
T
I
V
C
M
P
N
T
N
P
P
I
DN-------
T
T
V
V
N
Y
I
L
Q
K
S
K
S
V
G
L
C
R
V
L
P
T
G
----------------------
T
---
I
--
T
K
G
R
K
G
K
E
-
I
A
D
F
Y
S
L
K
E
A
G
C
V
A
F
T
D
D
G
-
S
P
V
M
D
S
S
V
M
R
K
A
L
E
L
A
S
Q
L
G
V
P
I
--------
M
D
H
---------------------------------------------------------------------------------
A
E
E
I
Q
I
A
R
D
G
I
L
A
Q
R
-----
T
G
G
H
V
H
I
Q
H
V
S
T
K
L
S
L
E
I
--------
I
E
-
F
-------------------
F
K
E
--
K
G
---
V
K
I
T
C
E
V
N
P
N
H
L
L
------------------------------
D
R
L
A
L
I
E
G
V
-
K
-
R
G
I
I
D
C
F
-
A
T
D
H
A
P
H
Q
T
--------------
M
P
G
I
I
G
L
Q
T
A
L
P
S
A
L
E
L
Y
R
K
G
I
--
I
-
S
L
K
K
L
------------------------------------------------------------
49
HHSearch
36.68
17%
-2
- C2 -
-
2FFI
-
?
A:
[10-280]
----
L
H
L
T
A
I
D
S
H
A
H
V
F
S
-
R
-------
G
----------------------
L
N
L
A
S
QRRYAPNYDAP----------------
L
G
D
Y
L
G
Q
L
-----
R
A
H
G
F
S
H
G
V
L
V
Q
P
S
F
L
--------------
G
T
D
N
R
Y
L
L
S
A
L
Q
T
---
V
--
P
G
Q
L
R
G
V
V
M
--
L
E
R
--
D
--
V
---
E
---
Q
--
A
T
L
A
E
M
A
R
-
L
G
-
V
R
G
V
R
L
N
L
M
G
Q
D
M
-----
P
D
L
T
G
A
Q
W
R
P
L
L
E
R
I
G
E
Q
G
W
H
V
--------
E
L
H
--------
R
Q
V
A
D
I
---------------------------------------------
P
---------------------------
V
L
V
R
A
L
Q
P
------
Y
G
L
D
I
V
I
D
H
F
G
R
P
---
D
A
RRGLGQ
P
G
F
A
E
L
L
T
-----------------
L
S
G
--
R
----
G
K
V
W
V
K
V
S
G
I
Y
R
L
Q
G
S
-------------
P
-
E
-
E
N
L
A
-----
F
A
R
Q
A
L
C
A
L
E
-
A
H
Y
G
A
E
R
L
M
W
G
S
D
W
-
P
H
T
Q
H
E
--------------
S
E
V
---
S
F
-
G
S
A
V
E
Q
F
E
A
L
------
G
C
S
A
Q
L
R
Q
A
L
L
L
D
T
A
R
A
L
F
G
F
E
------------------------------------------
53
HHSearch
36.49
14%
0
- C2 -
-
4QRO
-
?
F:
[1-324]
-----
M
N
G
K
I
A
L
E
E
H
F
A
T
-
E
-------
E
TLMDSAGFVPDKDWPELRSRLL
D
I------------------------------
Q
D
R
R
V
R
L
M
-----
D
E
H
G
I
E
T
M
I
L
S
L
N
A
P
A
V
Q
AIADSTRAN
E
T
A
R
R
A
N
D
F
L
A
E
Q
V
A
K
---
Q
--
P
T
R
F
R
G
F
A
A
--
L
P
M
--
Q
--
D
PEL
A
---
A
--
R
E
L
E
R
C
V
K
E
L
G
-
F
V
G
A
L
V
N
G
F
S
Q
D
N
R
S
A
V
P
L
Y
Y
D
M
A
Q
Y
W
P
F
W
E
T
V
Q
A
L
D
V
P
F
--------
Y
L
H
--------
P
R
N
P
L
P
-
S
---------------------
D
---------------------
A
R
IYDGHAW
L
LGPTWAFG
Q
E
TA
V
H
A
L
R
L
M
G
S
G
L
F
D
K
Y
-----
P
A
L
K
I
I
L
G
H
M
G
E
G
---
L
P
YS------
M
W
-
R
IDHRNAWIKTTPKYPAKRK
I
V
D
YF
N
----
E
N
F
Y
L
T
T
S
G
N
F
R
-----------------------
T
------
Q
T
L
I
D
A
I
L
E
----
I
G
A
D
R
I
L
F
S
T
D
W
-
P
F
E
N
I
D
H
------------------------
A
A
D
W
F
E
-----
N
-
T
S
I
S
E
A
D
R
K
K
I
G
W
G
N
A
Q
N
L
F
K
L
-------------------------------------------
48
HHSearch
36.12
15%
-2
- C2 -
-
3IRS
-
?
A:
[3-282]
------
L
K
I
I
D
F
R
L
R
P
P
A
-
M
-------
G
----------------------
F
LNARIYTR
P
D
I
R
N
R
F
T
R
Q
L
GFEPA
P
S
A
E
E
KS
L
E
L
M
F
E
E
M
-----
A
A
A
G
I
E
Q
G
V
C
V
G
R
N
S
S
V
L
-----------
G
S
V
S
N
A
D
V
A
A
V
A
K
A
---
Y
--
P
D
K
F
H
P
V
G
S
--
I
E
A
--
A
--
T
R
K
E
A
---
M
--
A
Q
M
Q
E
I
L
D
-
L
G
-
I
R
I
V
N
L
E
P
G
V
W
A
T
----
P
M
H
V
D
D
R
R
L
Y
P
L
Y
A
F
C
E
D
N
G
I
P
V
--------
I
M
M
--------
T
G
G
N
A
G
---------------------------------------------
P
D
----------------
I
---
T
Y
T
N
P
E
H
I
D
R
V
L
G
D
F
-----
P
D
L
T
V
V
S
S
H
G
N
W
P
---
W
V
Q
E
I
-----
I
H
-
V
-------------------
A
F
R
--
R
----
P
N
L
Y
L
S
P
D
M
Y
L
Y
N
---------------------
L
P
G
-------
H
A
D
F
I
Q
A
A
N
S
-
F
L
A
D
R
M
L
F
G
T
A
Y
P
-
M
C
P
L
K
------------------------
E
Y
T
E
W
F
L
T
L
------
P
I
K
P
D
A
M
E
K
I
L
H
G
N
A
E
R
L
L
A
Q
A
G
-----------------------------------------