@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 : Rv0672: (2016-04-24 )
MSDTHVVTNQVPPLENYNPASSPVLIEALIQEGGQWGLDEVNEVGAISASCQAQRWGELADRNRPILHTHDAYGYRVDEVEYDPAYHELMRTAITHGMHAAPWADDRPGAHVVRAAKTSVWTVEPGHICPISMTYAVVPALRYNSELAAVYEPLLTSREYDPELKPATTKAGITAGMSMTEKQGGSDVRAGTTQATPNADGSYSLTGHKWFTSAPMCDIFLVLAQAPDGLSCFLLPRVLPDGTRNRMFLQRLKDKLGNHANASSEVEYDGAVAWLVGEEGRGVPTIIEMVNLTRLDCALGSATSMRTGLTRAVHHAQHRKAFGAYLIDQPLMRNVLADLAVEAEAATIVAMRMAGATDNAVRGNETEALLRRIGLAAAKYWVCKRSTAHAAEALECLGGNGYVEDSGMPRLYREAPLMGIWEGSGNVSALDTLRAMATRPACVEVLFDELARSAGQDPRLDGHVERLRPQLGDLDTIGYRARKIAEDICLALQGSLLVRHGHPAVAEAFLATRLGGQWGGAYGTMPAGLDLAPILERALVKG
Atome Classification :
(22 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-
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
----------MSDT
H
V
VTNQVPPLENY---N-P-AS
S
P
V
L
I
E
A
L
I
Q
EGGQW----
G
L
D
E
V
N
EVGAISA
S
C
Q
A
Q
R
W
G
E
L
ADRNR
P
I
L
HTHDAYG
Y
R
VDEVEY
D
P
A
Y
H
E
L
M
R
T
A
I
THGMHAAPWAD--D---RPG
A
---
H
--
V
-
V
R
A
AK
T
S
V
W
T-V-EPG
H
I
-C
P
I
S
M
T
Y
A
V
V
P
A
L--------R----Y--N
S
E
L
A
A
V
Y
E
----
P
L
L
TSREYDPELKPATTKAGITAGMSMTEKQGGSDVRA-GT-TQATPNADG
S
Y
S
LTG
H
K
WFTSA
P
M
C
D
I
F
L
V
L
AQAP----------D----------G
L
S
C
F
L
L
P
RVLPDGTR
N
R
M
F
L
Q
R
L
K
D
K
LGNHANASS
E
V
E
YD
G
A
V
A
W
L
VGEEGRG
V
P
T
I
I
E
M
V
N
LT
R
L
D
CALGS
A
T
S
M
R
T
G
L
T
R
A
V
H
H
A
Q
H
R
K
A
F
G
A
Y
LI
D
Q
P
L
M
R
N
V
L
A
D
L
A
VEAE
A
A
T
I
V
---
A
M
R
MAGATDNAVRG--
N
E
T
E
A
L
L
R
R
I
G
L
A
A
A
K
Y
W
V
CKRST
A
H
A
A
E
A
L
E
C
LGGNGYVEDSGMP
R
L
Y
REAP
L
M
G
I
WEGSGN
V
S
A
L
D
T
L
R
A
MAT
R
P
A
C
-------
V
E
V
L
F
D
E
L
A
R
SAG----QD-----------PRLD
G
H
V
E
R
L
R
P
QLG-------D-LD
T
I
G
Y
R
---------------
A
---------------
R
K
I
A
E
D
I
C
L
A
L
Q
G
S
L
L
V
RH---------G
H
P
A
---------
V
A
E
A
F
L
A
T
R
LGGQWGGAYGTMPAGL
D
L
A
P
I
L
E
R
A
LVKG-
48
HHSearch
96.99
46%
-82
- C3 -
5EZ3
5
?
A:
[33-572]
------------
K
T
H
E
V
T
N
Q
T
P
P
I
T
G
T
---
N
-
A
Y
L
G
D
P
L
L
M
Q
I
A
A
R
-
F
P
K
E
----
L
H
T
E
L
E
Q
A
G
R
F
V
L
S
A
E
A
Q
D
L
A
R
L
A
N
T
E
L
P
K
L
R
T
H
D
R
Q
G
R
R
I
D
L
V
E
Y
H
P
A
Y
H
A
L
M
R
R
S
V
A
Q
G
L
H
S
S
I
W
E
D
--
N
PLE
S
G
R
R
---
H
--
Q
-
A
R
A
A
R
F
Y
L
T
A
Q
L
-
E
A
G
H
L
-
C
P
L
T
M
T
S
A
S
L
A
A
L
--------
M
----
A
--
S
P
E
V
Y
K
Q
W
S
----
P
A
V
L
S
R
K
Y
D
F
S
Q
K
P
A
F
R
K
Q
G
V
T
L
G
M
G
M
T
E
K
Q
G
G
T
D
V
R
A
-
N
A
-
T
R
A
E
P
A
I
G
G
A
W
R
L
T
G
H
K
W
F
M
S
A
P
M
S
D
A
F
L
T
L
A
Q
T
K
----------
E
----------
G
L
S
C
F
L
L
P
R
L
G
E
K
G
E
S
N
G
F
F
F
Q
R
L
K
D
K
L
G
N
R
S
N
A
S
S
E
V
E
F
D
G
A
L
G
Q
M
I
G
S
P
G
E
G
V
K
T
I
M
D
M
V
T
L
T
R
L
D
C
A
V
A
S
A
G
L
M
R
S
G
L
A
E
A
V
H
H
S
R
H
R
H
V
F
G
K
P
L
V
E
Q
P
L
M
Q
R
V
L
A
D
M
A
L
D
V
A
G
A
T
A
L
---
S
M
R
L
A
R
A
F
D
M
A
A
S
D
---
R
A
E
A
A
F
A
R
S
M
T
P
V
V
K
Y
W
V
C
K
I
A
P
A
L
L
Y
E
A
M
E
C
L
G
G
N
G
Y
I
E
D
G
N
L
A
R
A
Y
R
E
A
P
V
N
A
I
W
E
G
S
G
N
V
M
A
L
D
V
A
R
V
L
S
R
A
P
A
L
-------
F
D
G
V
L
D
W
I
S
G
Q
L
G
----
P
R
-----------
G
Q
--
G
T
I
D
V
L
R
A
A
L
Q
-------
L
-
T
E
T
D
Q
G
V
---------------
A
---------------
R
L
L
T
E
Q
L
A
F
A
A
A
A
A
E
L
R
Q
L
---------
G
A
D
D
---------
I
A
D
A
F
I
E
T
R
L
G
G
L
W
R
T
T
Y
G
M
L
D
A
R
H
N
A
M
R
I
I
D
Q
L
Y
P
A
--
29
PsiBlast_CBE
96.36
44%
-74
- C3 -
3U33
3
AIDB_ECOLI
G:
[4-515]
------------
Q
T
H
T
V
F
N
Q
P
I
P
L
N
N
S
---
N
-
L
Y
L
S
D
G
A
L
C
E
A
V
T
R
E
G
A
G
W
----
D
S
D
F
L
A
S
I
G
Q
Q
L
G
T
A
E
S
L
E
L
G
R
L
A
N
V
N
P
P
E
L
L
R
Y
D
A
Q
G
R
R
L
D
D
V
R
F
H
P
A
W
H
L
L
M
Q
A
L
C
T
N
R
V
H
N
L
A
W
E
E
--
D
A--
R
S
G
A
---
F
--
V
-
A
R
A
A
R
F
M
L
H
A
Q
V
-
E
A
G
S
L
-
C
P
I
T
M
T
F
A
A
T
P
L
L
--------
L
--------
Q
M
L
P
A
P
F
Q
DWTT
P
L
L
S
D
R
-
Y
D
S
H
L
L
P
G
G
Q
K
R
G
L
L
I
G
M
G
M
T
E
K
Q
G
G
S
D
V
M
S
-
N
T
-
T
R
A
E
R
L
E
D
G
S
Y
R
L
V
G
H
K
W
F
F
S
V
P
Q
S
D
A
H
L
V
L
A
Q
T
A
----------
G
----------
G
L
S
C
F
F
V
P
R
F
L
P
D
G
Q
R
N
A
I
R
L
E
R
L
K
D
K
L
G
N
R
S
N
A
S
C
E
V
E
F
Q
D
A
I
G
W
L
L
G
L
E
G
E
G
I
R
L
I
L
K
M
G
G
M
T
R
F
D
C
A
L
G
S
H
A
M
M
R
R
A
F
S
L
A
I
Y
H
A
H
Q
R
H
V
F
G
N
P
L
I
Q
Q
P
L
M
R
H
V
L
S
R
M
A
L
Q
L
E
G
Q
T
A
L
---
L
F
R
L
A
R
A
W
D
R
--
R
A
--
D
A
K
E
A
L
W
A
R
L
F
T
P
A
A
K
F
V
I
C
K
R
G
M
P
F
V
A
E
A
M
E
V
L
G
G
I
G
Y
C
E
E
S
E
L
P
R
L
Y
R
E
M
P
V
N
S
I
W
E
G
S
G
N
I
M
C
L
D
V
L
R
V
L
N
K
Q
A
G
V
-------
Y
D
L
L
S
E
A
F
V
E
V
K
G
----
Q
D
-----------
R
Y
F
D
R
A
V
R
R
L
Q
Q
Q
L
R
-------
K
P
A
E
E
L
G
---------------------------------
R
E
I
T
H
Q
L
F
L
L
G
C
G
A
Q
M
L
K
Y
---------
A
S
P
P
---------
M
A
Q
A
W
C
Q
V
M
L
-----------------------------
1
PsiBlast_PDB
96.32
46%
-83
- C3 -
5EZ3
5
?
A:
[34-558]
-------------
T
H
E
V
T
N
Q
T
P
P
I
T
G
T
---
N
-
A
-
Y
L
G
D
P
L
L
M
Q
I
A
A
R
F
P
K
E
----
L
H
T
E
L
E
Q
A
G
R
F
V
L
S
A
E
A
Q
D
L
A
R
L
A
N
T
E
L
P
K
L
R
T
H
D
R
Q
G
R
R
I
D
L
V
E
Y
H
P
A
Y
H
A
L
M
R
R
S
V
A
Q
G
L
H
S
S
I
W
E
D
--
N
---
P
L
E
S
GR
R
H
--
Q
-
A
R
A
A
R
F
Y
L
T
A
Q
L
-
E
A
G
H
L
-
C
P
L
T
M
T
S
A
S
L
A
A
L
--------
M
----
A
--
S
P
E
V
Y
K
Q
W
S
----
P
A
V
L
S
R
K
Y
D
F
S
Q
K
P
A
F
R
K
Q
G
V
T
L
G
M
G
M
T
E
K
Q
G
G
T
D
V
R
A
-
N
A
-
T
R
A
E
P
A
I
G
G
A
W
R
L
T
G
H
K
W
F
M
S
A
P
M
S
D
A
F
L
T
L
A
Q
T
K
----------
E
----------
G
L
S
C
F
L
L
P
R
L
G
E
K
G
E
S
N
G
F
F
F
Q
R
L
K
D
K
L
G
N
R
S
N
A
S
S
E
V
E
F
D
G
A
L
G
Q
M
I
G
S
P
G
E
G
V
K
T
I
M
D
M
V
T
L
T
R
L
D
C
A
V
A
S
A
G
L
M
R
S
G
L
A
E
A
V
H
H
S
R
H
R
H
V
F
G
K
P
L
V
E
Q
P
L
M
Q
R
V
L
A
D
M
A
L
D
V
A
G
A
T
A
L
---
S
M
R
L
A
R
A
F
D
M
A
A
-
S
--
D
R
A
E
A
A
F
A
R
S
M
T
P
V
V
K
Y
W
V
C
K
I
A
P
A
L
L
Y
E
A
M
E
C
L
G
G
N
G
Y
I
E
D
G
N
L
A
R
A
Y
R
E
A
P
V
N
A
I
W
E
G
S
G
N
V
M
A
L
D
V
A
R
V
L
S
R
A
P
A
L
-------
F
D
G
V
L
D
W
I
S
G
Q
L
G
-----------------
P
R
G
Q
G
T
I
D
V
L
R
A
A
L
Q
-------
L
-
T
E
T
D
Q
G
V
---------------
A
---------------
R
L
L
T
E
Q
L
A
F
A
A
A
A
A
E
L
R
Q
L
---------
G
A
D
D
---------
I
A
D
A
F
I
E
T
R
L
G
G
L
W
R
T
T
Y
G
M
L
D
A
----------------
22
PsiBlast_CBE
96.30
46%
-82
- C3 -
5EZ3
6
?
C:
[34-558]
-------------
T
H
E
V
T
N
Q
T
P
P
I
T
G
T
---
N
-
A
-
Y
L
G
D
P
L
L
M
Q
I
A
A
R
F
P
K
E
----
L
H
T
E
L
E
Q
A
G
R
F
V
L
S
A
E
A
Q
D
L
A
R
L
A
N
T
E
L
P
K
L
R
T
H
D
R
Q
G
R
R
I
D
L
V
E
Y
H
P
A
Y
H
A
L
M
R
R
S
V
A
Q
G
L
H
S
S
I
W
E
D
--
N
---
P
L
E
S
GRR
H
--
Q
-
A
R
A
A
R
F
Y
L
T
A
Q
L
-
E
A
G
H
L
-
C
P
L
T
M
T
S
A
S
L
A
A
L
--------
M
----
A
--
S
P
E
V
Y
K
Q
W
S
----
P
A
V
L
S
R
K
Y
D
F
S
Q
K
P
A
F
R
K
Q
G
V
T
L
G
M
G
M
T
E
K
Q
G
G
T
D
V
R
A
-
N
A
-
T
R
A
E
P
A
I
G
G
A
W
R
L
T
G
H
K
W
F
M
S
A
P
M
S
D
A
F
L
T
L
A
Q
T
K
----------
E
----------
G
L
S
C
F
L
L
P
R
L
G
E
K
G
E
S
N
G
F
F
F
Q
R
L
K
D
K
L
G
N
R
S
N
A
S
S
E
V
E
F
D
G
A
L
G
Q
M
I
G
S
P
G
E
G
V
K
T
I
M
D
M
V
T
L
T
R
L
D
C
A
V
A
S
A
G
L
M
R
S
G
L
A
E
A
V
H
H
S
R
H
R
H
V
F
G
K
P
L
V
E
Q
P
L
M
Q
R
V
L
A
D
M
A
L
D
V
A
G
A
T
A
L
---
S
M
R
L
A
R
A
F
D
M
A
A
-
S
--
D
R
A
E
A
A
F
A
R
S
M
T
P
V
V
K
Y
W
V
C
K
I
A
P
A
L
L
Y
E
A
M
E
C
L
G
G
N
G
Y
I
E
D
G
N
L
A
R
A
Y
R
E
A
P
V
N
A
I
W
E
G
S
G
N
V
M
A
L
D
V
A
R
V
L
S
R
A
P
A
L
-------
F
D
G
V
L
D
W
I
S
G
Q
L
G
-----------------
P
R
G
Q
G
T
I
D
V
L
R
A
A
L
Q
-------
L
-
T
E
T
D
Q
G
V
---------------
A
---------------
R
L
L
T
E
Q
L
A
F
A
A
A
A
A
E
L
R
Q
L
---------
G
A
D
D
---------
I
A
D
A
F
I
E
T
R
L
G
G
L
W
R
T
T
Y
G
M
L
D
A
----------------
25
PsiBlast_CBE
96.14
44%
-75
- C3 -
3U33
10
AIDB_ECOLI
K:
[4-515]
------------
Q
T
H
T
V
F
N
Q
P
I
P
L
N
N
S
---
N
-
L
Y
L
S
D
G
A
L
C
E
A
V
T
R
E
G
A
G
W
----
D
S
D
F
L
A
S
I
G
Q
Q
L
G
T
A
E
S
L
E
L
G
R
L
A
N
V
N
P
P
E
L
L
R
Y
D
A
Q
G
R
R
L
D
D
V
R
F
H
P
A
W
H
L
L
M
Q
A
L
C
T
N
R
V
H
N
L
A
W
E
E
--
D
A--
R
S
G
A
---
F
--
V
-
A
R
A
A
R
F
M
L
H
A
Q
V
-
E
A
G
S
L
-
C
P
I
T
M
T
F
A
A
T
P
L
L
--------
L
--------
Q
M
L
P
A
P
F
Q
DWTT
P
L
L
S
D
R
-
Y
D
S
H
L
L
P
G
G
Q
K
R
G
L
L
I
G
M
G
M
T
E
K
Q
G
G
S
D
V
M
S
-
N
T
-
T
R
A
E
R
L
E
D
G
S
Y
R
L
V
G
H
K
W
F
F
S
V
P
Q
S
D
A
H
L
V
L
A
Q
T
A
----------
G
----------
G
L
S
C
F
F
V
P
R
F
L
P
D
G
Q
R
N
A
I
R
L
E
R
L
K
D
K
L
G
N
R
S
N
A
S
C
E
V
E
F
Q
D
A
I
G
W
L
L
G
L
E
G
E
G
I
R
L
I
L
K
M
G
G
M
T
R
F
D
C
A
L
G
S
H
A
M
M
R
R
A
F
S
L
A
I
Y
H
A
H
Q
R
H
V
F
G
N
P
L
I
Q
Q
P
L
M
R
H
V
L
S
R
M
A
L
Q
L
E
G
Q
T
A
L
---
L
F
R
L
A
R
A
W
D
R
--
R
A
--
D
A
K
E
A
L
W
A
R
L
F
T
P
A
A
K
F
V
I
C
K
R
G
M
P
F
V
A
E
A
M
E
V
L
G
G
I
G
Y
C
E
E
S
E
L
P
R
L
Y
R
E
M
P
V
N
S
I
W
E
G
S
G
N
I
M
C
L
D
V
L
R
V
L
N
K
Q
A
G
V
-------
Y
D
L
L
S
E
A
F
V
E
V
K
G
----
Q
D
-----------
R
Y
F
D
R
A
V
R
R
L
Q
Q
Q
L
R
-------
K
P
A
E
E
L
G
---------------------------------
R
E
I
T
H
Q
L
F
L
L
G
C
G
A
Q
M
L
K
Y
---------
A
S
P
P
---------
M
A
Q
A
W
C
Q
V
M
L
-----------------------------
33
PsiBlast_CBE
96.12
44%
-75
- C3 -
3U33
4
AIDB_ECOLI
C:
[4-515]
------------
Q
T
H
T
V
F
N
Q
P
I
P
L
N
N
S
---
N
-
L
Y
L
S
D
G
A
L
C
E
A
V
T
R
E
G
A
G
W
----
D
S
D
F
L
A
S
I
G
Q
Q
L
G
T
A
E
S
L
E
L
G
R
L
A
N
V
N
P
P
E
L
L
R
Y
D
A
Q
G
R
R
L
D
D
V
R
F
H
P
A
W
H
L
L
M
Q
A
L
C
T
N
R
V
H
N
L
A
W
E
E
--
D
A--
R
S
G
A
---
F
--
V
-
A
R
A
A
R
F
M
L
H
A
Q
V
-
E
A
G
S
L
-
C
P
I
T
M
T
F
A
A
T
P
L
L
--------
L
--------
Q
M
L
P
A
P
F
Q
DWTT
P
L
L
S
D
R
-
Y
D
S
H
L
L
P
G
G
Q
K
R
G
L
L
I
G
M
G
M
T
E
K
Q
G
G
S
D
V
M
S
-
N
T
-
T
R
A
E
R
L
E
D
G
S
Y
R
L
V
G
H
K
W
F
F
S
V
P
Q
S
D
A
H
L
V
L
A
Q
T
A
----------
G
----------
G
L
S
C
F
F
V
P
R
F
L
P
D
G
Q
R
N
A
I
R
L
E
R
L
K
D
K
L
G
N
R
S
N
A
S
C
E
V
E
F
Q
D
A
I
G
W
L
L
G
L
E
G
E
G
I
R
L
I
L
K
M
G
G
M
T
R
F
D
C
A
L
G
S
H
A
M
M
R
R
A
F
S
L
A
I
Y
H
A
H
Q
R
H
V
F
G
N
P
L
I
Q
Q
P
L
M
R
H
V
L
S
R
M
A
L
Q
L
E
G
Q
T
A
L
---
L
F
R
L
A
R
A
W
D
R
--
R
A
--
D
A
K
E
A
L
W
A
R
L
F
T
P
A
A
K
F
V
I
C
K
R
G
M
P
F
V
A
E
A
M
E
V
L
G
G
I
G
Y
C
E
E
S
E
L
P
R
L
Y
R
E
M
P
V
N
S
I
W
E
G
S
G
N
I
M
C
L
D
V
L
R
V
L
N
K
Q
A
G
V
-------
Y
D
L
L
S
E
A
F
V
E
V
K
G
----
Q
D
-----------
R
Y
F
D
R
A
V
R
R
L
Q
Q
Q
L
R
-------
K
P
A
E
E
L
G
---------------------------------
R
E
I
T
H
Q
L
F
L
L
G
C
G
A
Q
M
L
K
Y
---------
A
S
P
P
---------
M
A
Q
A
W
C
Q
V
M
L
-----------------------------
30
PsiBlast_CBE
95.94
44%
-74
- C3 -
3U33
4
AIDB_ECOLI
F:
[4-515]
------------
Q
T
H
T
V
F
N
Q
P
I
P
L
N
N
S
---
N
-
L
Y
L
S
D
G
A
L
C
E
A
V
T
R
E
G
A
G
W
----
D
S
D
F
L
A
S
I
G
Q
Q
L
G
T
A
E
S
L
E
L
G
R
L
A
N
V
N
P
P
E
L
L
R
Y
D
A
Q
G
R
R
L
D
D
V
R
F
H
P
A
W
H
L
L
M
Q
A
L
C
T
N
R
V
H
N
L
A
W
E
E
--
D
A--
R
S
G
A
---
F
--
V
-
A
R
A
A
R
F
M
L
H
A
Q
V
-
E
A
G
S
L
-
C
P
I
T
M
T
F
A
A
T
P
L
L
--------
L
--------
Q
M
L
P
A
P
F
Q
DWTT
P
L
L
S
D
R
-
Y
D
S
H
L
L
P
G
G
Q
K
R
G
L
L
I
G
M
G
M
T
E
K
Q
G
G
S
D
V
M
S
-
N
T
-
T
R
A
E
R
L
E
D
G
S
Y
R
L
V
G
H
K
W
F
F
S
V
P
Q
S
D
A
H
L
V
L
A
Q
T
A
----------
G
----------
G
L
S
C
F
F
V
P
R
F
L
P
D
G
Q
R
N
A
I
R
L
E
R
L
K
D
K
L
G
N
R
S
N
A
S
C
E
V
E
F
Q
D
A
I
G
W
L
L
G
L
E
G
E
G
I
R
L
I
L
K
M
G
G
M
T
R
F
D
C
A
L
G
S
H
A
M
M
R
R
A
F
S
L
A
I
Y
H
A
H
Q
R
H
V
F
G
N
P
L
I
Q
Q
P
L
M
R
H
V
L
S
R
M
A
L
Q
L
E
G
Q
T
A
L
---
L
F
R
L
A
R
A
W
D
R
--
R
A
--
D
A
K
E
A
L
W
A
R
L
F
T
P
A
A
K
F
V
I
C
K
R
G
M
P
F
V
A
E
A
M
E
V
L
G
G
I
G
Y
C
E
E
S
E
L
P
R
L
Y
R
E
M
P
V
N
S
I
W
E
G
S
G
N
I
M
C
L
D
V
L
R
V
L
N
K
Q
A
G
V
-------
Y
D
L
L
S
E
A
F
V
E
V
K
G
----
Q
D
-----------
R
Y
F
D
R
A
V
R
R
L
Q
Q
Q
L
R
-------
K
P
A
E
E
L
G
---------------------------------
R
E
I
T
H
Q
L
F
L
L
G
C
G
A
Q
M
L
K
Y
---------
A
S
P
P
---------
M
A
Q
A
W
C
Q
V
M
L
-----------------------------
23
PsiBlast_CBE
95.92
46%
-82
- C3 -
5EZ3
6
?
B:
[34-558]
-------------
T
H
E
V
T
N
Q
T
P
P
I
T
G
T
---
N
-
A
-
Y
L
G
D
P
L
L
M
Q
I
A
A
R
F
P
K
E
----
L
H
T
E
L
E
Q
A
G
R
F
V
L
S
A
E
A
Q
D
L
A
R
L
A
N
T
E
L
P
K
L
R
T
H
D
R
Q
G
R
R
I
D
L
V
E
Y
H
P
A
Y
H
A
L
M
R
R
S
V
A
Q
G
L
H
S
S
I
W
E
D
--
N
---
P
L
E
S
GRR
H
--
Q
-
A
R
A
A
R
F
Y
L
T
A
Q
L
-
E
A
G
H
L
-
C
P
L
T
M
T
S
A
S
L
A
A
L
--------
M
----
A
--
S
P
E
V
Y
K
Q
W
S
----
P
A
V
L
S
R
K
Y
D
F
S
Q
K
P
A
F
R
K
Q
G
V
T
L
G
M
G
M
T
E
K
Q
G
G
T
D
V
R
A
-
N
A
-
T
R
A
E
P
A
I
G
G
A
W
R
L
T
G
H
K
W
F
M
S
A
P
M
S
D
A
F
L
T
L
A
Q
T
K
----------
E
----------
G
L
S
C
F
L
L
P
R
L
G
E
K
G
E
S
N
G
F
F
F
Q
R
L
K
D
K
L
G
N
R
S
N
A
S
S
E
V
E
F
D
G
A
L
G
Q
M
I
G
S
P
G
E
G
V
K
T
I
M
D
M
V
T
L
T
R
L
D
C
A
V
A
S
A
G
L
M
R
S
G
L
A
E
A
V
H
H
S
R
H
R
H
V
F
G
K
P
L
V
E
Q
P
L
M
Q
R
V
L
A
D
M
A
L
D
V
A
G
A
T
A
L
---
S
M
R
L
A
R
A
F
D
M
A
A
-
S
--
D
R
A
E
A
A
F
A
R
S
M
T
P
V
V
K
Y
W
V
C
K
I
A
P
A
L
L
Y
E
A
M
E
C
L
G
G
N
G
Y
I
E
D
G
N
L
A
R
A
Y
R
E
A
P
V
N
A
I
W
E
G
S
G
N
V
M
A
L
D
V
A
R
V
L
S
R
A
P
A
L
-------
F
D
G
V
L
D
W
I
S
G
Q
L
G
-----------------
P
R
G
Q
G
T
I
D
V
L
R
A
A
L
Q
-------
L
-
T
E
T
D
Q
G
V
---------------
A
---------------
R
L
L
T
E
Q
L
A
F
A
A
A
A
A
E
L
R
Q
L
---------
G
A
D
D
---------
I
A
D
A
F
I
E
T
R
L
G
G
L
W
R
T
T
Y
G
M
L
D
A
----------------
3
PsiBlast_PDB
95.87
44%
-74
- C3 -
3U33
4
AIDB_ECOLI
A:
[4-515]
------------
Q
T
H
T
V
F
N
Q
P
I
P
L
N
N
S
---
N
-
L
Y
L
S
D
G
A
L
C
E
A
V
T
R
E
G
A
G
W
----
D
S
D
F
L
A
S
I
G
Q
Q
L
G
T
A
E
S
L
E
L
G
R
L
A
N
V
N
P
P
E
L
L
R
Y
D
A
Q
G
R
R
L
D
D
V
R
F
H
P
A
W
H
L
L
M
Q
A
L
C
T
N
R
V
H
N
L
A
W
E
E
--
D
A--
R
S
G
A
---
F
--
V
-
A
R
A
A
R
F
M
L
H
A
Q
V
-
E
A
G
S
L
-
C
P
I
T
M
T
F
A
A
T
P
L
L
--------
L
--------
Q
M
L
P
A
P
F
Q
DW
T
T
P
L
L
S
D
R
-
Y
D
S
H
L
L
P
G
G
Q
K
R
G
L
L
I
G
M
G
M
T
E
K
Q
G
G
S
D
V
M
S
-
N
T
-
T
R
A
E
R
L
E
D
G
S
Y
R
L
V
G
H
K
W
F
F
S
V
P
Q
S
D
A
H
L
V
L
A
Q
T
A
----------
G
----------
G
L
S
C
F
F
V
P
R
F
L
P
D
G
Q
R
N
A
I
R
L
E
R
L
K
D
K
L
G
N
R
S
N
A
S
C
E
V
E
F
Q
D
A
I
G
W
L
L
G
L
E
G
E
G
I
R
L
I
L
K
M
G
G
M
T
R
F
D
C
A
L
G
S
H
A
M
M
R
R
A
F
S
L
A
I
Y
H
A
H
Q
R
H
V
F
G
N
P
L
I
Q
Q
P
L
M
R
H
V
L
S
R
M
A
L
Q
L
E
G
Q
T
A
L
---
L
F
R
L
A
R
A
W
D
R
--
R
A
--
D
A
K
E
A
L
W
A
R
L
F
T
P
A
A
K
F
V
I
C
K
R
G
M
P
F
V
A
E
A
M
E
V
L
G
G
I
G
Y
C
E
E
S
E
L
P
R
L
Y
R
E
M
P
V
N
S
I
W
E
G
S
G
N
I
M
C
L
D
V
L
R
V
L
N
K
Q
A
G
V
-------
Y
D
L
L
S
E
A
F
V
E
V
K
G
----
Q
D
-----------
R
Y
F
D
R
A
V
R
R
L
Q
Q
Q
L
R
-------
K
P
A
E
E
L
G
---------------------------------
R
E
I
T
H
Q
L
F
L
L
G
C
G
A
Q
M
L
K
Y
---------
A
S
P
P
---------
M
A
Q
A
W
C
Q
V
M
L
-----------------------------
31
PsiBlast_CBE
95.85
44%
-75
- C3 -
3U33
3
AIDB_ECOLI
E:
[4-515]
------------
Q
T
H
T
V
F
N
Q
P
I
P
L
N
N
S
---
N
-
L
Y
L
S
D
G
A
L
C
E
A
V
T
R
E
G
A
G
W
----
D
S
D
F
L
A
S
I
G
Q
Q
L
G
T
A
E
S
L
E
L
G
R
L
A
N
V
N
P
P
E
L
L
R
Y
D
A
Q
G
R
R
L
D
D
V
R
F
H
P
A
W
H
L
L
M
Q
A
L
C
T
N
R
V
H
N
L
A
W
E
E
--
D
A--
R
S
G
A
---
F
--
V
-
A
R
A
A
R
F
M
L
H
A
Q
V
-
E
A
G
S
L
-
C
P
I
T
M
T
F
A
A
T
P
L
L
--------
L
--------
Q
M
L
P
A
P
F
Q
DWTT
P
L
L
S
D
R
-
Y
D
S
H
L
L
P
G
G
Q
K
R
G
L
L
I
G
M
G
M
T
E
K
Q
G
G
S
D
V
M
S
-
N
T
-
T
R
A
E
R
L
E
D
G
S
Y
R
L
V
G
H
K
W
F
F
S
V
P
Q
S
D
A
H
L
V
L
A
Q
T
A
----------
G
----------
G
L
S
C
F
F
V
P
R
F
L
P
D
G
Q
R
N
A
I
R
L
E
R
L
K
D
K
L
G
N
R
S
N
A
S
C
E
V
E
F
Q
D
A
I
G
W
L
L
G
L
E
G
E
G
I
R
L
I
L
K
M
G
G
M
T
R
F
D
C
A
L
G
S
H
A
M
M
R
R
A
F
S
L
A
I
Y
H
A
H
Q
R
H
V
F
G
N
P
L
I
Q
Q
P
L
M
R
H
V
L
S
R
M
A
L
Q
L
E
G
Q
T
A
L
---
L
F
R
L
A
R
A
W
D
R
--
R
A
--
D
A
K
E
A
L
W
A
R
L
F
T
P
A
A
K
F
V
I
C
K
R
G
M
P
F
V
A
E
A
M
E
V
L
G
G
I
G
Y
C
E
E
S
E
L
P
R
L
Y
R
E
M
P
V
N
S
I
W
E
G
S
G
N
I
M
C
L
D
V
L
R
V
L
N
K
Q
A
G
V
-------
Y
D
L
L
S
E
A
F
V
E
V
K
G
----
Q
D
-----------
R
Y
F
D
R
A
V
R
R
L
Q
Q
Q
L
R
-------
K
P
A
E
E
L
G
---------------------------------
R
E
I
T
H
Q
L
F
L
L
G
C
G
A
Q
M
L
K
Y
---------
A
S
P
P
---------
M
A
Q
A
W
C
Q
V
M
L
-----------------------------
2
PsiBlast_PDB
95.85
44%
-73
- C3 -
3DJL
2
AIDB_ECOLI
A:
[4-515]
------------
Q
T
H
T
V
F
N
Q
P
I
P
L
N
N
S
---
N
-
L
Y
L
S
D
G
A
L
C
E
A
V
T
R
E
G
A
G
W
----
D
S
D
F
L
A
S
I
G
Q
Q
L
G
T
A
E
S
L
E
L
G
R
L
A
N
V
N
P
P
E
L
L
R
Y
D
A
Q
G
R
R
L
D
D
V
R
F
H
P
A
W
H
L
L
M
Q
A
L
C
T
N
R
V
H
N
L
A
W
E
E
--
D
A--
R
S
G
A
---
F
--
V
-
A
R
A
A
R
F
M
L
H
A
Q
V
-
E
A
G
S
L
-
C
P
I
T
M
T
F
A
A
T
P
L
L
--------
L
--------
Q
M
L
P
A
P
F
Q
DW
T
T
P
L
L
S
D
R
-
Y
D
S
H
L
L
P
G
G
Q
K
R
G
L
L
I
G
M
G
M
T
E
K
Q
G
G
S
D
V
M
S
-
N
T
-
T
R
A
E
R
L
E
D
G
S
Y
R
L
V
G
H
K
W
F
F
S
V
P
Q
S
D
A
H
L
V
L
A
Q
T
A
----------
G
----------
G
L
S
C
F
F
V
P
R
F
L
P
D
G
Q
R
N
A
I
R
L
E
R
L
K
D
K
L
G
N
R
S
N
A
S
C
E
V
E
F
Q
D
A
I
G
W
L
L
G
L
E
G
E
G
I
R
L
I
L
K
M
G
G
M
T
R
F
D
C
A
L
G
S
H
A
M
M
R
R
A
F
S
L
A
I
Y
H
A
H
Q
R
H
V
F
G
N
P
L
I
Q
Q
P
L
M
R
H
V
L
S
R
M
A
L
Q
L
E
G
Q
T
A
L
---
L
F
R
L
A
R
A
W
D
R
--
R
A
--
D
A
K
E
A
L
W
A
R
L
F
T
P
A
A
K
F
V
I
C
K
R
G
M
P
F
V
A
E
A
M
E
V
L
G
G
I
G
Y
C
E
E
S
E
L
P
R
L
Y
R
E
M
P
V
N
S
I
W
E
G
S
G
N
I
M
C
L
D
V
L
R
V
L
N
K
Q
A
G
V
-------
Y
D
L
L
S
E
A
F
V
E
V
K
G
----
Q
D
-----------
R
Y
F
D
R
A
V
R
R
L
Q
Q
Q
L
R
-------
K
P
A
E
E
L
G
---------------------------------
R
E
I
T
H
Q
L
F
L
L
G
C
G
A
Q
M
L
K
Y
---------
A
S
P
P
---------
M
A
Q
A
W
C
Q
V
M
L
-----------------------------
34
PsiBlast_CBE
95.72
44%
-74
- C3 -
3U33
4
AIDB_ECOLI
B:
[4-515]
------------
Q
T
H
T
V
F
N
Q
P
I
P
L
N
N
S
---
N
-
L
Y
L
S
D
G
A
L
C
E
A
V
T
R
E
G
A
G
W
----
D
S
D
F
L
A
S
I
G
Q
Q
L
G
T
A
E
S
L
E
L
G
R
L
A
N
V
N
P
P
E
L
L
R
Y
D
A
Q
G
R
R
L
D
D
V
R
F
H
P
A
W
H
L
L
M
Q
A
L
C
T
N
R
V
H
N
L
A
W
E
E
--
D
A--
R
S
G
A
---
F
--
V
-
A
R
A
A
R
F
M
L
H
A
Q
V
-
E
A
G
S
L
-
C
P
I
T
M
T
F
A
A
T
P
L
L
--------
L
--------
Q
M
L
P
A
P
F
Q
DW
T
T
P
L
L
S
D
R
-
Y
D
S
H
L
L
P
G
G
Q
K
R
G
L
L
I
G
M
G
M
T
E
K
Q
G
G
S
D
V
M
S
-
N
T
-
T
R
A
E
R
L
E
D
G
S
Y
R
L
V
G
H
K
W
F
F
S
V
P
Q
S
D
A
H
L
V
L
A
Q
T
A
----------
G
----------
G
L
S
C
F
F
V
P
R
F
L
P
D
G
Q
R
N
A
I
R
L
E
R
L
K
D
K
L
G
N
R
S
N
A
S
C
E
V
E
F
Q
D
A
I
G
W
L
L
G
L
E
G
E
G
I
R
L
I
L
K
M
G
G
M
T
R
F
D
C
A
L
G
S
H
A
M
M
R
R
A
F
S
L
A
I
Y
H
A
H
Q
R
H
V
F
G
N
P
L
I
Q
Q
P
L
M
R
H
V
L
S
R
M
A
L
Q
L
E
G
Q
T
A
L
---
L
F
R
L
A
R
A
W
D
R
--
R
A
--
D
A
K
E
A
L
W
A
R
L
F
T
P
A
A
K
F
V
I
C
K
R
G
M
P
F
V
A
E
A
M
E
V
L
G
G
I
G
Y
C
E
E
S
E
L
P
R
L
Y
R
E
M
P
V
N
S
I
W
E
G
S
G
N
I
M
C
L
D
V
L
R
V
L
N
K
Q
A
G
V
-------
Y
D
L
L
S
E
A
F
V
E
V
K
G
----
Q
D
-----------
R
Y
F
D
R
A
V
R
R
L
Q
Q
Q
L
R
-------
K
P
A
E
E
L
G
---------------------------------
R
E
I
T
H
Q
L
F
L
L
G
C
G
A
Q
M
L
K
Y
---------
A
S
P
P
---------
M
A
Q
A
W
C
Q
V
M
L
-----------------------------
24
PsiBlast_CBE
95.62
44%
-74
- C3 -
3U33
10
AIDB_ECOLI
L:
[4-515]
------------
Q
T
H
T
V
F
N
Q
P
I
P
L
N
N
S
---
N
-
L
Y
L
S
D
G
A
L
C
E
A
V
T
R
E
G
A
G
W
----
D
S
D
F
L
A
S
I
G
Q
Q
L
G
T
A
E
S
L
E
L
G
R
L
A
N
V
N
P
P
E
L
L
R
Y
D
A
Q
G
R
R
L
D
D
V
R
F
H
P
A
W
H
L
L
M
Q
A
L
C
T
N
R
V
H
N
L
A
W
E
E
--
D
A--
R
S
G
A
---
F
--
V
-
A
R
A
A
R
F
M
L
H
A
Q
V
-
E
A
G
S
L
-
C
P
I
T
M
T
F
A
A
T
P
L
L
--------
L
--------
Q
M
L
P
A
P
F
Q
DWTT
P
L
L
S
D
R
-
Y
D
S
H
L
L
P
G
G
Q
K
R
G
L
L
I
G
M
G
M
T
E
K
Q
G
G
S
D
V
M
S
-
N
T
-
T
R
A
E
R
L
E
D
G
S
Y
R
L
V
G
H
K
W
F
F
S
V
P
Q
S
D
A
H
L
V
L
A
Q
T
A
----------
G
----------
G
L
S
C
F
F
V
P
R
F
L
P
D
G
Q
R
N
A
I
R
L
E
R
L
K
D
K
L
G
N
R
S
N
A
S
C
E
V
E
F
Q
D
A
I
G
W
L
L
G
L
E
G
E
G
I
R
L
I
L
K
M
G
G
M
T
R
F
D
C
A
L
G
S
H
A
M
M
R
R
A
F
S
L
A
I
Y
H
A
H
Q
R
H
V
F
G
N
P
L
I
Q
Q
P
L
M
R
H
V
L
S
R
M
A
L
Q
L
E
G
Q
T
A
L
---
L
F
R
L
A
R
A
W
D
R
--
R
A
--
D
A
K
E
A
L
W
A
R
L
F
T
P
A
A
K
F
V
I
C
K
R
G
M
P
F
V
A
E
A
M
E
V
L
G
G
I
G
Y
C
E
E
S
E
L
P
R
L
Y
R
E
M
P
V
N
S
I
W
E
G
S
G
N
I
M
C
L
D
V
L
R
V
L
N
K
Q
A
G
V
-------
Y
D
L
L
S
E
A
F
V
E
V
K
G
----
Q
D
-----------
R
Y
F
D
R
A
V
R
R
L
Q
Q
Q
L
R
-------
K
P
A
E
E
L
G
---------------------------------
R
E
I
T
H
Q
L
F
L
L
G
C
G
A
Q
M
L
K
Y
---------
A
S
P
P
---------
M
A
Q
A
W
C
Q
V
M
L
-----------------------------
28
PsiBlast_CBE
95.50
44%
-74
- C3 -
3U33
2
AIDB_ECOLI
H:
[4-515]
------------
Q
T
H
T
V
F
N
Q
P
I
P
L
N
N
S
---
N
-
L
Y
L
S
D
G
A
L
C
E
A
V
T
R
E
G
A
G
W
----
D
S
D
F
L
A
S
I
G
Q
Q
L
G
T
A
E
S
L
E
L
G
R
L
A
N
V
N
P
P
E
L
L
R
Y
D
A
Q
G
R
R
L
D
D
V
R
F
H
P
A
W
H
L
L
M
Q
A
L
C
T
N
R
V
H
N
L
A
W
E
E
--
D
A--
R
S
G
A
---
F
--
V
-
A
R
A
A
R
F
M
L
H
A
Q
V
-
E
A
G
S
L
-
C
P
I
T
M
T
F
A
A
T
P
L
L
--------
L
--------
Q
M
L
P
A
P
F
Q
DWTT
P
L
L
S
D
R
-
Y
D
S
H
L
L
P
G
G
Q
K
R
G
L
L
I
G
M
G
M
T
E
K
Q
G
G
S
D
V
M
S
-
N
T
-
T
R
A
E
R
L
E
D
G
S
Y
R
L
V
G
H
K
W
F
F
S
V
P
Q
S
D
A
H
L
V
L
A
Q
T
A
----------
G
----------
G
L
S
C
F
F
V
P
R
F
L
P
D
G
Q
R
N
A
I
R
L
E
R
L
K
D
K
L
G
N
R
S
N
A
S
C
E
V
E
F
Q
D
A
I
G
W
L
L
G
L
E
G
E
G
I
R
L
I
L
K
M
G
G
M
T
R
F
D
C
A
L
G
S
H
A
M
M
R
R
A
F
S
L
A
I
Y
H
A
H
Q
R
H
V
F
G
N
P
L
I
Q
Q
P
L
M
R
H
V
L
S
R
M
A
L
Q
L
E
G
Q
T
A
L
---
L
F
R
L
A
R
A
W
D
R
--
R
A
--
D
A
K
E
A
L
W
A
R
L
F
T
P
A
A
K
F
V
I
C
K
R
G
M
P
F
V
A
E
A
M
E
V
L
G
G
I
G
Y
C
E
E
S
E
L
P
R
L
Y
R
E
M
P
V
N
S
I
W
E
G
S
G
N
I
M
C
L
D
V
L
R
V
L
N
K
Q
A
G
V
-------
Y
D
L
L
S
E
A
F
V
E
V
K
G
----
Q
D
-----------
R
Y
F
D
R
A
V
R
R
L
Q
Q
Q
L
R
-------
K
P
A
E
E
L
G
---------------------------------
R
E
I
T
H
Q
L
F
L
L
G
C
G
A
Q
M
L
K
Y
---------
A
S
P
P
---------
M
A
Q
A
W
C
Q
V
M
L
-----------------------------
32
PsiBlast_CBE
95.43
44%
-74
- C3 -
3U33
4
AIDB_ECOLI
D:
[4-515]
------------
Q
T
H
T
V
F
N
Q
P
I
P
L
N
N
S
---
N
-
L
Y
L
S
D
G
A
L
C
E
A
V
T
R
E
G
A
G
W
----
D
S
D
F
L
A
S
I
G
Q
Q
L
G
T
A
E
S
L
E
L
G
R
L
A
N
V
N
P
P
E
L
L
R
Y
D
A
Q
G
R
R
L
D
D
V
R
F
H
P
A
W
H
L
L
M
Q
A
L
C
T
N
R
V
H
N
L
A
W
E
E
--
D
A--
R
S
G
A
---
F
--
V
-
A
R
A
A
R
F
M
L
H
A
Q
V
-
E
A
G
S
L
-
C
P
I
T
M
T
F
A
A
T
P
L
L
--------
L
--------
Q
M
L
P
A
P
F
Q
DWTT
P
L
L
S
D
R
-
Y
D
S
H
L
L
P
G
G
Q
K
R
G
L
L
I
G
M
G
M
T
E
K
Q
G
G
S
D
V
M
S
-
N
T
-
T
R
A
E
R
L
E
D
G
S
Y
R
L
V
G
H
K
W
F
F
S
V
P
Q
S
D
A
H
L
V
L
A
Q
T
A
----------
G
----------
G
L
S
C
F
F
V
P
R
F
L
P
D
G
Q
R
N
A
I
R
L
E
R
L
K
D
K
L
G
N
R
S
N
A
S
C
E
V
E
F
Q
D
A
I
G
W
L
L
G
L
E
G
E
G
I
R
L
I
L
K
M
G
G
M
T
R
F
D
C
A
L
G
S
H
A
M
M
R
R
A
F
S
L
A
I
Y
H
A
H
Q
R
H
V
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G
N
P
L
I
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Q
P
L
M
R
H
V
L
S
R
M
A
L
Q
L
E
G
Q
T
A
L
---
L
F
R
L
A
R
A
W
D
R
--
R
A
--
D
A
K
E
A
L
W
A
R
L
F
T
P
A
A
K
F
V
I
C
K
R
G
M
P
F
V
A
E
A
M
E
V
L
G
G
I
G
Y
C
E
E
S
E
L
P
R
L
Y
R
E
M
P
V
N
S
I
W
E
G
S
G
N
I
M
C
L
D
V
L
R
V
L
N
K
Q
A
G
V
-------
Y
D
L
L
S
E
A
F
V
E
V
K
G
----
Q
D
-----------
R
Y
F
D
R
A
V
R
R
L
Q
Q
Q
L
R
-------
K
P
A
E
E
L
G
---------------------------------
R
E
I
T
H
Q
L
F
L
L
G
C
G
A
Q
M
L
K
Y
---------
A
S
P
P
---------
M
A
Q
A
W
C
Q
V
M
L
-----------------------------
38
Fugue
95.16
42%
-69
- C3 -
3DJL
2
AIDB_ECOLI
A:
[3-540]
-----------
W
Q
T
H
T
V
F
N
Q
P
I
P
L
N
N
S
---
N
L
Y
-
L
S
D
G
A
L
C
E
A
V
T
R
E
G
A
G
W
----
D
S
D
F
L
A
S
I
G
Q
Q
L
G
T
A
E
S
L
E
L
G
R
L
A
N
V
N
P
P
E
L
L
R
Y
D
A
Q
G
R
R
L
D
D
V
R
F
H
P
A
W
H
L
L
M
Q
A
L
C
T
N
R
V
H
N
L
A
W
E
E
--
D
A--
R
S
G
A
---
F
--
V
-
A
R
A
A
R
F
M
L
H
A
-
Q
V
E
A
G
S
L
-
C
P
I
T
M
T
F
A
A
T
P
L
L
--------
L
----
Q
M
-
L
P
A
P
F
Q
D
W
T
----
T
P
L
L
S
D
R
Y
D
S
H
L
L
P
G
G
Q
K
R
G
L
L
I
G
M
G
M
T
E
K
Q
G
G
S
D
V
M
S
-
N
T
-
T
R
A
E
R
L
E
D
G
S
Y
R
L
V
G
H
K
W
F
F
S
V
P
Q
S
D
A
H
L
V
L
A
Q
T
A
----------
G
----------
G
L
S
C
F
F
V
P
R
F
L
P
D
G
Q
R
N
A
I
R
L
E
R
L
K
D
K
L
G
N
R
S
N
A
S
C
E
V
E
F
Q
D
A
I
G
W
L
L
G
L
E
G
E
G
I
R
L
I
L
K
M
G
G
M
T
R
F
D
C
A
L
G
S
H
A
M
M
R
R
A
F
S
L
A
I
Y
H
A
H
Q
R
H
V
F
G
N
P
L
I
Q
Q
P
L
M
R
H
V
L
S
R
M
A
L
Q
L
E
G
Q
T
A
L
---
L
F
R
L
A
R
A
W
D
R
--
R
A
--
D
A
K
E
A
L
W
A
R
L
F
T
P
A
A
K
F
V
I
C
K
R
G
M
P
F
V
A
E
A
M
E
V
L
G
G
I
G
Y
C
E
E
S
E
L
P
R
L
Y
R
E
M
P
V
N
S
I
W
E
G
S
G
N
I
M
C
L
D
V
L
R
V
L
N
K
Q
A
G
V
-------
Y
D
L
L
S
E
A
F
V
E
V
K
G
----
Q
D
-----------
R
Y
F
D
R
A
V
R
R
L
Q
Q
Q
L
R
-------
K
---
P
A
E
E
L
---------------
G
---------------
R
E
I
T
H
Q
L
F
L
L
G
C
G
A
Q
M
L
K
Y
---------
A
S
P
P
---------
M
A
Q
A
W
C
Q
V
M
L
D
T
R
G
G
----
V
R
L
S
E
Q
I
Q
N
D
L
L
L
R
A
T
G
G
V
C
21
PsiBlast_CBE
95.10
46%
-82
- C3 -
5EZ3
6
?
D:
[34-558]
-------------
T
H
E
V
T
N
Q
T
P
P
I
T
G
T
---
N
-
A
-
Y
L
G
D
P
L
L
M
Q
I
A
A
R
F
P
K
E
----
L
H
T
E
L
E
Q
A
G
R
F
V
L
S
A
E
A
Q
D
L
A
R
L
A
N
T
E
L
P
K
L
R
T
H
D
R
Q
G
R
R
I
D
L
V
E
Y
H
P
A
Y
H
A
L
M
R
R
S
V
A
Q
G
L
H
S
S
I
W
E
D
--
N
---
P
L
E
S
GRR
H
--
Q
-
A
R
A
A
R
F
Y
L
T
A
Q
L
-
E
A
G
H
L
-
C
P
L
T
M
T
S
A
S
L
A
A
L
--------
M
----
A
--
S
P
E
V
Y
K
Q
W
S
----
P
A
V
L
S
R
K
Y
D
F
S
Q
K
P
A
F
R
K
Q
G
V
T
L
G
M
G
M
T
E
K
Q
G
G
T
D
V
R
A
-
N
A
-
T
R
A
E
P
A
I
G
G
A
W
R
L
T
G
H
K
W
F
M
S
A
P
M
S
D
A
F
L
T
L
A
Q
T
K
----------
E
----------
G
L
S
C
F
L
L
P
R
L
G
E
K
G
E
S
N
G
F
F
F
Q
R
L
K
D
K
L
G
N
R
S
N
A
S
S
E
V
E
F
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G
A
L
G
Q
M
I
G
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P
G
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G
V
K
T
I
M
D
M
V
T
L
T
R
L
D
C
A
V
A
S
A
G
L
M
R
S
G
L
A
E
A
V
H
H
S
R
H
R
H
V
F
G
K
P
L
V
E
Q
P
L
M
Q
R
V
L
A
D
M
A
L
D
V
A
G
A
T
A
L
---
S
M
R
L
A
R
A
F
D
M
A
A
-
S
--
D
R
A
E
A
A
F
A
R
S
M
T
P
V
V
K
Y
W
V
C
K
I
A
P
A
L
L
Y
E
A
M
E
C
L
G
G
N
G
Y
I
E
D
G
N
L
A
R
A
Y
R
E
A
P
V
N
A
I
W
E
G
S
G
N
V
M
A
L
D
V
A
R
V
L
S
R
A
P
A
L
-------
F
D
G
V
L
D
W
I
S
G
Q
L
G
-----------------
P
R
G
Q
G
T
I
D
V
L
R
A
A
L
Q
-------
L
-
T
E
T
D
Q
G
V
---------------
A
---------------
R
L
L
T
E
Q
L
A
F
A
A
A
A
A
E
L
R
Q
L
---------
G
A
D
D
---------
I
A
D
A
F
I
E
T
R
L
G
G
L
W
R
T
T
Y
G
M
L
D
A
----------------
49
HHSearch
92.25
43%
-69
- C3 -
3DJL
2
AIDB_ECOLI
A:
[3-517]
-----------
W
Q
T
H
T
V
F
N
Q
P
I
P
L
N
N
S
---
N
-
L
Y
L
S
D
G
A
L
C
E
A
V
T
R
E
G
A
G
W
----
D
S
D
F
L
A
S
I
G
Q
Q
L
G
T
A
E
S
L
E
L
G
R
L
A
N
V
N
P
P
E
L
L
R
Y
D
A
Q
G
R
R
L
D
D
V
R
F
H
P
A
W
H
L
L
M
Q
A
L
C
T
N
R
V
H
N
L
A
W
E
E
--
D
---
A
R
S
G
---
A
--
F
V
A
R
A
A
R
F
M
L
H
A
Q
V
-
E
A
G
S
L
-
C
P
I
T
M
T
F
A
A
T
P
L
L
L
Q
M
LPAPF
Q
----
D
W
T
T
P
L
L
S
D
R
Y
D
----
S
H
L
L
P
G
G
---------
Q
K
R
G
L
L
I
G
M
G
M
T
E
K
Q
G
G
S
D
V
M
S
-
N
T
-
T
R
A
E
R
L
E
D
G
S
Y
R
L
V
G
H
K
W
F
F
S
V
P
Q
S
D
A
H
L
V
L
A
Q
T
A
----------
G
----------
G
L
S
C
F
F
V
P
R
F
L
P
D
G
Q
R
N
A
I
R
L
E
R
L
K
D
K
L
G
N
R
S
N
A
S
C
E
V
E
F
Q
D
A
I
G
W
L
L
G
L
E
G
E
G
I
R
L
I
L
K
M
G
G
M
T
R
F
D
C
A
L
G
S
H
A
M
M
R
R
A
F
S
L
A
I
Y
H
A
H
Q
R
H
V
F
G
N
P
L
I
Q
Q
P
L
M
R
H
V
L
S
R
M
A
L
Q
L
E
G
Q
T
A
L
---
L
F
R
L
A
R
A
W
D
R
R
A
D
A
----
K
E
A
L
W
A
R
L
F
T
P
A
A
K
F
V
I
C
K
R
G
M
P
F
V
A
E
A
M
E
V
L
G
G
I
G
Y
C
E
E
S
E
L
P
R
L
Y
R
E
M
P
V
N
S
I
W
E
G
S
G
N
I
M
C
L
D
V
L
R
V
L
N
K
Q
A
G
V
-------
Y
D
L
L
S
E
A
F
V
E
V
K
G
----
Q
D
-----------
R
Y
F
D
R
A
V
R
R
L
Q
Q
Q
L
R
----------
K
P
A
E
E
L
---------------
G
---------------
R
E
I
T
H
Q
L
F
L
L
G
C
G
A
Q
M
L
K
Y
---------
A
S
P
P
---------
M
A
Q
A
W
C
Q
V
M
L
D
T
---------------------------
50
HHSearch
82.99
30%
-74
- C3 -
4Y9J
4
ACD11_CAEEL
A:
[15-567]
---------------
G
G
F
S
Q
T
G
P
T
L
-
H
---
N
-
P
Y
K
D
D
P
I
L
D
R
T
L
R
R
L
L
P
E
S
E
Y
M
R
V
A
A
D
L
S
K
F
G
D
R
I
T
S
-
E
V
E
H
L
G
R
Q
A
E
L
E
Q
P
R
L
E
H
Q
D
A
W
G
K
R
V
D
K
L
I
V
C
N
E
W
H
K
L
K
Q
I
C
A
E
E
G
V
I
S
I
G
Y
E
D
--
S
---
V
D
P
F
---
V
R
R
I
-
H
Q
V
A
K
L
F
L
F
S
P
S
-
A
G
L
V
S
-
C
P
M
A
M
T
D
G
A
V
K
T
L
--------
T
S
L
NL
Y
G-
K
H
K
L
A
T
E
A
V
----
D
R
L
R
S
R
D
P
---------
S
K
A
W
T
S
G
Q
W
M
T
E
K
K
G
G
S
D
V
A
G
G
C
D
-
T
Y
A
V
Q
I
D
K
D
T
Y
R
L
H
G
Y
K
W
F
S
S
A
V
D
A
D
V
A
L
T
L
A
R
I
V
D
SDG
N
A
L
E
G
S
R
----------
G
L
S
L
F
L
L
K
I
R
D
E
S
G
N
L
N
G
I
Q
M
V
R
L
K
N
K
L
G
T
K
Q
L
P
T
A
E
L
L
L
D
G
A
I
A
E
R
I
G
D
Q
G
R
G
V
A
G
I
S
N
M
L
N
I
T
R
I
H
N
A
V
A
S
L
G
Y
M
R
R
I
I
S
L
A
R
D
Y
S
T
K
R
V
V
F
G
Q
T
Q
S
K
W
P
L
H
T
T
T
L
A
K
M
E
V
D
T
R
G
S
M
L
L
---
L
F
E
A
A
R
L
L
G
L
S
E
A
G
KS
S
D
V
E
A
M
M
L
R
L
I
T
P
V
L
K
L
Y
A
G
K
Q
A
V
P
M
V
S
E
G
I
E
C
F
G
G
Q
G
Y
M
E
D
T
G
L
P
T
L
L
R
D
A
Q
V
T
P
I
W
E
G
T
T
N
V
L
S
L
D
V
L
R
V
F
S
G
K
E
N
I
-------
L
L
A
F
G
K
R
V
E
Q
L
L
G
----
N
T
KTED
E
K
L
K
K
S
K
E
A
V
E
S
A
L
K
Q
L
Q
K
L
L
V
K
A
S
DSAI
Q
G
E
T
R
I
D
S
V
---------------
A
---------------
R
H
I
A
F
T
I
A
R
I
Y
S
G
A
L
L
I
D
H
---------
A
S
D
S
SVAN
Q
S
D
I
E
V
A
Y
R
Y
C
C
E
Q
P
L
----------------------------
39
Fugue
79.67
28%
-64
- C3 -
4Y9J
4
ACD11_CAEEL
A:
[1-592]
TITARHTQYS
H
A
K
T
G
G
F
S
Q
T
G
P
T
L
H
N
P
YKD
D
-
P
-
I
L
D
R
T
L
R
R
L
L
P
E
S
E
Y
M
R
----
V
A
A
D
L
S
K
F
G
D
R
I
T
S
-
E
V
E
H
L
G
R
Q
A
E
L
E
Q
P
R
L
E
H
Q
D
A
W
G
K
R
V
D
K
L
I
V
C
N
E
W
H
K
L
K
Q
I
C
A
E
E
G
V
I
S
I
G
Y
E
D
SV
D
---
P
F
V
R
---
R
--
I
-
H
Q
V
A
K
L
F
L
F
S
-
P
-
S
A
G
L
V
S
C
P
M
A
M
T
D
G
A
V
K
T
L
--------
T
----
S
--
L
N
----
L
Y
G
----
K
H
K
L
A
T
E
A
V
D
R
L
R
S
R
D
P
S
K
A
W
T
S
G
Q
W
M
T
E
K
K
G
G
S
D
V
A
G
-
G
C
D
T
Y
A
V
Q
I
D
K
D
T
Y
R
L
H
G
Y
K
W
F
S
S
A
V
D
A
D
V
A
L
T
L
A
R
I
V
----------
D
SDG
N
A
L
E
G
SR
G
L
S
L
F
L
L
K
I
R
D
E
S
G
N
L
N
G
I
Q
M
V
R
L
K
N
K
L
G
T
K
Q
L
P
T
A
E
L
L
L
D
G
A
I
A
E
R
I
G
D
Q
G
R
G
V
A
G
I
S
N
M
L
N
I
T
R
I
H
N
A
V
A
S
L
G
Y
M
R
R
I
I
S
L
A
R
D
Y
S
T
K
R
V
V
F
G
Q
T
Q
S
K
W
P
L
H
T
T
T
L
A
K
M
E
V
D
T
R
G
S
M
L
L
---
L
F
E
A
A
R
L
L
G
L
S
E
A
G
KS
S
D
V
E
A
M
M
L
R
L
I
T
P
V
L
K
L
Y
A
G
K
Q
A
V
P
M
V
S
E
G
I
E
C
F
G
G
Q
G
Y
M
E
D
T
G
L
P
T
L
L
R
D
A
Q
V
T
P
I
W
E
G
T
T
N
V
L
S
L
D
V
L
R
V
F
S
G
K
E
N
I
-------
L
L
A
F
G
K
R
V
E
Q
L
L
G
NTKT
E
D
-----------
E
K
L
K
K
S
K
E
A
V
E
S
A
L
K
-------
Q
-
L
Q
K
L
L
V
K
---------------
A
S
DSAIQGETRIDSV
A
R
H
I
A
F
T
I
A
R
I
Y
S
G
A
L
L
I
D
H
A
S
DSSVAN
Q
S
D
I
E
---------
V
A
Y
R
Y
C
C
E
Q
P
L
I
D
L
R
W
E
W
F
A
S
E
R
V
K
A
D
R
E
I
V
F
D
N
F
T
---
5
PsiBlast_PDB
76.12
30%
-71
- C3 -
4Y9L
2
ACD11_CAEEL
A:
[62-543]
--------------------------------------------------------------------
T
S
E
V
E
H
L
G
R
Q
A
E
L
E
Q
P
R
L
E
H
Q
D
A
W
G
K
R
V
D
K
L
I
V
C
N
E
W
H
K
L
K
Q
I
C
A
E
E
G
V
I
S
I
G
Y
E
D
SV
D
---
P
F
V
R
---
R
--
I
-
H
Q
V
A
K
L
F
L
F
S
-
P
-
S
A
G
L
V
S
C
P
M
A
M
T
D
G
A
V
K
T
L
-----------------
T
S
L
N
L
Y
G
K
----
H
K
L
A
T
E
A
V
D
-
R
L
R
S
R
D
P
S
K
A
W
T
S
G
Q
W
M
T
E
K
K
G
G
S
D
V
A
G
-
G
C
D
T
Y
A
V
Q
I
D
K
D
T
Y
R
L
H
G
Y
K
W
F
S
S
A
V
D
A
D
V
A
L
T
L
A
R
I
V
----------
D
SDG
N
A
L
E
G
SR
G
L
S
L
F
L
L
K
I
R
D
E
S
G
N
L
N
G
I
Q
M
V
R
L
K
N
K
L
G
T
K
Q
L
P
T
A
E
L
L
L
D
G
A
I
A
E
R
I
G
D
Q
G
R
G
V
A
G
I
S
N
M
L
N
I
T
R
I
H
N
A
V
A
S
L
G
Y
M
R
R
I
I
S
L
A
R
D
Y
S
T
K
R
V
V
F
G
Q
T
Q
S
K
W
P
L
H
T
T
T
L
A
K
M
E
V
D
T
R
G
S
M
L
L
L
F
E
A
A
R
L
L
G
L
S
E
-
A
G
K
S
--
S
D
V
E
A
M
M
L
R
L
I
T
P
V
L
K
L
Y
A
G
K
Q
A
V
P
M
V
S
E
G
I
E
C
F
G
G
Q
G
Y
M
E
D
T
G
L
P
T
L
L
R
D
A
Q
V
T
P
I
W
E
G
T
T
N
V
L
S
L
D
V
L
R
V
F
S
G
K
E
N
I
L
L
A
F
G
K
R
V
E
Q
L
---
L
G
N
T
K
T
----
E
D
-----------
E
K
L
K
K
S
K
E
A
V
E
S
A
L
K
-------
Q
-
L
Q
K
L
L
V
K
A
S
DSAIQGETRIDSV
A
---------------
R
H
I
A
F
T
I
A
R
I
Y
S
G
A
L
L
I
D
H
-------------------------------------------------------------
4
PsiBlast_PDB
75.57
30%
-72
- C3 -
4Y9J
4
ACD11_CAEEL
A:
[62-543]
--------------------------------------------------------------------
T
S
E
V
E
H
L
G
R
Q
A
E
L
E
Q
P
R
L
E
H
Q
D
A
W
G
K
R
V
D
K
L
I
V
C
N
E
W
H
K
L
K
Q
I
C
A
E
E
G
V
I
S
I
G
Y
E
D
SV
D
---
P
F
V
R
---
R
--
I
-
H
Q
V
A
K
L
F
L
F
S
-
P
-
S
A
G
L
V
S
C
P
M
A
M
T
D
G
A
V
K
T
L
-----------------
T
S
L
N
L
Y
G
K
----
H
K
L
A
T
E
A
V
D
-
R
L
R
S
R
D
P
S
K
A
W
T
S
G
Q
W
M
T
E
K
K
G
G
S
D
V
A
G
-
G
C
D
T
Y
A
V
Q
I
D
K
D
T
Y
R
L
H
G
Y
K
W
F
S
S
A
V
D
A
D
V
A
L
T
L
A
R
I
V
----------
D
SDG
N
A
L
E
G
SR
G
L
S
L
F
L
L
K
I
R
D
E
S
G
N
L
N
G
I
Q
M
V
R
L
K
N
K
L
G
T
K
Q
L
P
T
A
E
L
L
L
D
G
A
I
A
E
R
I
G
D
Q
G
R
G
V
A
G
I
S
N
M
L
N
I
T
R
I
H
N
A
V
A
S
L
G
Y
M
R
R
I
I
S
L
A
R
D
Y
S
T
K
R
V
V
F
G
Q
T
Q
S
K
W
P
L
H
T
T
T
L
A
K
M
E
V
D
T
R
G
S
M
L
L
L
F
E
A
A
R
L
L
G
L
S
E
-
A
G
K
S
--
S
D
V
E
A
M
M
L
R
L
I
T
P
V
L
K
L
Y
A
G
K
Q
A
V
P
M
V
S
E
G
I
E
C
F
G
G
Q
G
Y
M
E
D
T
G
L
P
T
L
L
R
D
A
Q
V
T
P
I
W
E
G
T
T
N
V
L
S
L
D
V
L
R
V
F
S
G
K
E
N
I
L
L
A
F
G
K
R
V
E
Q
L
---
L
G
N
T
K
T
----
E
D
-----------
E
K
L
K
K
S
K
E
A
V
E
S
A
L
K
-------
Q
-
L
Q
K
L
L
V
K
A
S
DSAIQGETRIDSV
A
---------------
R
H
I
A
F
T
I
A
R
I
Y
S
G
A
L
L
I
D
H
-------------------------------------------------------------