@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 : PA0183: (2015-12-25 )
MSKRPNFLVIVADDLGFSDIGAFGGEIATPNLDALAIAGLRLTDFHTASTCSPTRSMLLTGTDHHIAGIGTMAEALTPELEGKPGYEGHLNERVVALPELLREAGYQTLMAGKWHLGLKPEQTPHARGFERSFSLLPGAANHYGFEPPYDESTPRILKGTPALYVEDERYLDTLPEGFYSSDAFGDKLLQYLKERDQSRPFFAYLPFSAPHWPLQAPREIVEKYRGRYDAGPEALRQERLARLKELGLVEADVEAHPVLALTREWEALEDEERAKSARAMEVYAAMVERMDWNIGRVVDYLRRQGELDNTFVLFMSDNGAEGALLEAFPKFGPDLLGFLDRHYDNSLENIGRANSYVWYGPRWAQAATAPSRLYKAFTTQGGIRVPALVRYPRLSRQGAISHAFATVMDVTPTLLDLAGVRHPGKRWRGREIAEPRGRSWLGWLSGETEAAHDENTVTGWELFGMRAIRQGDWKAVYLPAPVGPATWQLYDLARDPGEIHDLADSQPGKLAELIEHWKRYVSETGVVEGASPFLVR
Atome Classification :
(20 SA)
-------------------------.........10........20.-...-.-.-..-.30........--40..-...-.-.-.-50.........--60---........70........80........90........100..-.....110...----------.------------..--.120---.----.--.....-------.--------130.......140-.....--------..150......--.-----160.....---------..170----------......------------.180.-----.-------.....190...------...-.200.......210.......220.....-.--.230.......240.......250..---.....260---.---.-----------------.....----------..-270.......280.......290.......300.......310.......320......---.330...-....340.......350.......360.......370.......380.........390.---......400...--....410.......420.......430---....-....440.......450......---..-----460..---------------.....470......------------------.480.......490.......500--.....--...510.......520.......530....------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-------------------------MSKRP
N
F
L
V
I
VADDLGF
S
D
I
-
G
-AFG-G-E-IA-TPN
L
D
A
L
A
I
A
G
--
L
R
L
T
-
D
FH-T-A-S-T-CSPT
R
S
M
L
L
--TG---TDHH
I
A
G
I
G
T
M
A
E
A
LTPELEGKPGYEGHLN
E
R
V
V
A
L
P
E
L
L
R
E
A-G
Y
Q
T
L
MAG
K
W
H
----------L------------GL--KPE----Q----T--PHARG-------
F
--------
E
R
SFSLLPGAANH-YGFEP--------PYDEST
P
R
ILK--G-----T
P
A
L
Y
V
E
D
---------
E
R
Y
L
D
----------
T
LPEGF------------YSS
D
A
-----
F
-------
G
D
K
L
L
Q
Y
L
K
E
R------DQS-R
P
F
F
A
YLPFSAPHWPLQ
A
P
R
E
I
V
E
K
YRGR-Y--DA
G
P
E
A
L
R
Q
E
R
L
A
R
L
K
E
LGLVEADVE---AH
P
V
L
A
-----
L
---T-----------------R
E
W
E
A----------L
E
-
D
E
E
R
A
K
S
A
R
A
M
E
V
Y
A
A
M
V
E
RMDW
N
I
G
R
V
V
D
Y
L
R
RQGELD
N
T
F
V
L
F
MSDNGAE
G
A
L
L
E
A
F
---
P
KFG
P
D
L
-
L
G
F
L
D
R
HYD
N
S
L
E
N
IGRANS
Y
V
W
YGPRWAQAAT
A
P
S
R
L
Y
K
A
FTTQ--GGIRV
P
A
L
VRYPR---LSRQG
A
I
S
H
A
F
A
--
T
V
M
DV
T
P
T
L
L
D
L
AGVRHPGKRWRGRE----IAEP-RGR
S
W
L
G
WLSGETEA-AHDENTV---
T
G
-----
W
E
L
F
G
---------------
M
R
A
IRQGD
W
K
A
V
Y
L------------------PAPVGPA
T
W
Q
L
Y
DLARDPG
E
I
H
D
---LADSQ--P
G
K
L
A
E
L
I
E
H
W
K
R
Y
V
S
ETGVVEGASPFLVR------------------------
4
PsiBlast_PDB
99.58
98%
-85
- C4 -
4CYS
6
ARS_PSEAE
A:
[3-536]
---------------------------
K
R
P
N
F
L
V
I
V
A
D
D
L
G
F
S
D
I
-
G
-
A
F
G
-
G
-
E
-
I
A
-
T
P
N
L
D
A
L
A
I
A
G
--
L
R
L
T
-
D
F
H
-
T
-
A
-
S
-
A
--
S
P
T
R
S
M
L
L
--
T
G
---
T
D
H
H
I
A
G
I
G
T
V
A
E
A
L
T
P
E
L
E
G
K
P
G
Y
E
G
H
L
N
E
R
V
V
A
L
P
E
L
L
R
E
A
-
G
Y
Q
T
L
M
A
G
K
W
H
----------
L
------------
G
L
--
K
P
E
----
Q
----
T
--
P
H
A
R
G
-------
F
--------
E
R
S
F
S
L
L
P
G
A
A
N
H
-
Y
G
F
E
P
--------
P
Y
D
E
S
T
P
R
I
L
K
--
G
-----
T
P
A
L
Y
V
E
D
---------
E
R
Y
L
D
----------
T
L
P
E
G
F
------------
Y
S
S
D
A
-----
F
-------
G
D
K
L
L
Q
Y
L
K
E
R
------
D
Q
S
-
R
P
F
F
A
Y
L
P
F
S
A
P
H
W
P
L
Q
A
P
R
E
I
V
E
K
Y
R
G
R
-
Y
--
D
A
G
P
E
A
L
R
Q
E
R
L
A
R
L
K
E
L
G
L
V
E
A
D
V
E
---
A
H
P
V
L
A
-----
L
---
T
-----------------
R
E
W
E
A
----------
L
E
-
D
E
E
R
A
K
S
A
R
A
M
E
V
Y
A
A
M
V
E
R
M
D
W
N
I
G
R
V
V
D
Y
L
R
R
Q
G
E
L
D
N
T
F
V
L
F
M
S
D
N
G
A
E
G
A
L
L
E
A
F
---
P
K
F
G
P
D
L
-
L
D
F
L
D
R
H
Y
D
N
S
L
E
N
I
G
S
A
N
S
Y
V
W
Y
G
P
R
W
A
Q
A
A
T
A
P
S
R
L
Y
K
A
F
T
T
Q
--
G
G
I
R
V
P
A
L
V
R
Y
P
R
---
L
S
R
Q
G
A
I
S
H
A
F
A
--
T
V
M
D
V
T
P
T
L
L
D
L
A
G
V
R
H
P
G
K
R
W
R
G
R
E
----
I
A
E
P
-
R
G
R
S
W
L
G
W
L
S
G
E
T
E
A
-
A
H
D
E
N
T
V
---
T
G
-----
W
G
L
F
G
---------------
M
R
A
I
R
Q
G
D
W
K
A
V
Y
L
------------------
P
A
P
V
G
P
A
T
W
Q
L
Y
D
L
A
R
D
P
G
E
I
H
D
---
L
A
D
S
Q
--
P
G
K
L
A
E
L
I
E
H
W
K
R
Y
V
S
D
T
G
V
V
E
G
A
S
P
F
L
V
R
------------------------
24
PsiBlast_CBE
99.03
98%
-86
- C4 -
4CYS
5
ARS_PSEAE
B:
[3-536]
---------------------------
K
R
P
N
F
L
V
I
V
A
D
D
L
G
F
S
D
I
-
G
-
A
F
G
-
G
-
E
-
I
A
-
T
P
N
L
D
A
L
A
I
A
G
--
L
R
L
T
-
D
F
H
-
T
-
A
-
S
---
A
S
P
T
R
S
M
L
L
--
T
G
---
T
D
H
H
I
A
G
I
G
T
V
A
E
A
L
T
P
E
L
E
G
K
P
G
Y
E
G
H
L
N
E
R
V
V
A
L
P
E
L
L
R
E
A
-
G
Y
Q
T
L
M
A
G
K
W
H
----------
L
------------
G
L
--
K
P
E
----
Q
----
T
--
P
H
A
R
G
-------
F
--------
E
R
S
F
S
L
L
P
G
A
A
N
H
-
Y
G
F
E
P
--------
P
Y
D
E
S
T
P
R
I
L
K
--
G
-----
T
P
A
L
Y
V
E
D
---------
E
R
Y
L
D
----------
T
L
P
E
G
F
------------
Y
S
S
D
A
-----
F
-------
G
D
K
L
L
Q
Y
L
K
E
R
------
D
Q
S
-
R
P
F
F
A
Y
L
P
F
S
A
P
H
W
P
L
Q
A
P
R
E
I
V
E
K
Y
R
G
R
-
Y
--
D
A
G
P
E
A
L
R
Q
E
R
L
A
R
L
K
E
L
G
L
V
E
A
D
V
E
---
A
H
P
V
L
A
-----
L
---
T
-----------------
R
E
W
E
A
----------
L
E
-
D
E
E
R
A
K
S
A
R
A
M
E
V
Y
A
A
M
V
E
R
M
D
W
N
I
G
R
V
V
D
Y
L
R
R
Q
G
E
L
D
N
T
F
V
L
F
M
S
D
N
G
A
E
G
A
L
L
E
A
F
---
P
K
F
G
P
D
L
-
L
D
F
L
D
R
H
Y
D
N
S
L
E
N
I
G
S
A
N
S
Y
V
W
Y
G
P
R
W
A
Q
A
A
T
A
P
S
R
L
Y
K
A
F
T
T
Q
--
G
G
I
R
V
P
A
L
V
R
Y
P
R
---
L
S
R
Q
G
A
I
S
H
A
F
A
--
T
V
M
D
V
T
P
T
L
L
D
L
A
G
V
R
H
P
G
K
R
W
R
G
R
E
----
I
A
E
P
-
R
G
R
S
W
L
G
W
L
S
G
E
T
E
A
-
A
H
D
E
N
T
V
---
T
G
-----
W
G
L
F
G
---------------
M
R
A
I
R
Q
G
D
W
K
A
V
Y
L
------------------
P
A
P
V
G
P
A
T
W
Q
L
Y
D
L
A
R
D
P
G
E
I
H
D
---
L
A
D
S
Q
--
P
G
K
L
A
E
L
I
E
H
W
K
R
Y
V
S
D
T
G
V
V
E
G
A
S
P
F
L
V
R
------------------------
25
PsiBlast_CBE
98.81
98%
-85
- C4 -
4CXK
3
ARS_PSEAE
B:
[3-527]
---------------------------
K
R
P
N
F
L
V
I
V
A
D
D
L
G
F
S
D
I
-
G
-
A
F
G
-
G
-
E
-
I
A
-
T
P
N
L
D
A
L
A
I
A
G
--
L
R
L
T
-
D
F
H
-
T
-
T
-
S
---
A
S
P
T
R
S
M
L
L
--
T
G
---
T
D
H
H
I
A
G
L
G
T
V
A
E
A
L
T
P
E
L
E
G
K
P
G
Y
E
G
H
L
N
E
R
V
V
A
L
P
E
L
L
R
E
A
-
G
Y
Q
T
L
M
A
G
K
W
H
----------
L
------------
G
L
--
K
P
E
----
Q
----
T
--
P
H
A
R
G
-------
F
--------
E
R
S
F
S
L
L
P
G
A
A
N
H
-
Y
G
F
E
P
--------
P
Y
D
E
S
T
P
R
I
L
K
--
G
-----
T
P
A
L
Y
V
E
D
---------
E
R
Y
L
D
----------
T
L
P
E
G
F
------------
Y
S
S
D
A
-----
F
-------
G
D
K
L
L
Q
Y
L
K
E
R
------
D
Q
S
-
R
P
F
F
A
Y
L
P
F
S
A
P
H
W
P
L
Q
A
P
R
E
I
V
E
K
Y
R
G
R
-
Y
--
D
A
G
P
E
A
L
R
Q
E
R
L
A
R
L
K
E
L
G
L
V
E
A
D
V
E
---
A
H
P
V
L
A
-----
L
---
T
-----------------
R
E
W
E
A
----------
L
E
-
D
E
E
R
A
K
S
A
R
A
M
E
V
Y
A
A
M
V
E
R
M
D
W
N
I
G
R
V
V
D
Y
L
R
R
Q
G
E
L
D
N
T
F
V
L
F
M
S
D
N
G
A
E
G
A
L
L
E
A
F
---
P
K
F
G
P
D
L
-
L
D
F
L
D
R
H
Y
D
N
S
L
E
N
I
G
S
A
N
S
Y
V
W
Y
G
P
R
W
A
Q
A
A
T
A
P
S
R
L
Y
K
A
F
T
T
Q
--
G
G
I
R
V
P
A
L
V
R
Y
P
R
---
L
S
R
Q
G
A
I
S
H
A
F
A
--
T
V
M
D
V
T
P
T
L
L
D
L
A
G
V
R
H
P
G
K
R
W
R
G
R
E
----
I
A
E
P
-
R
G
R
S
W
L
G
W
L
S
G
E
T
E
A
-
A
H
D
E
N
T
V
---
T
G
-----
W
G
L
F
G
---------------
M
R
A
I
R
Q
G
D
W
K
A
V
Y
L
------------------
P
A
P
V
G
P
A
T
W
Q
L
Y
D
L
A
R
D
P
G
E
I
H
D
---
L
A
D
S
Q
--
P
G
K
L
A
E
L
I
E
H
W
K
R
Y
V
S
D
T
G
V
V
---------------------------------
5
PsiBlast_PDB
98.63
98%
-84
- C4 -
4CXK
2
ARS_PSEAE
A:
[3-527]
---------------------------
K
R
P
N
F
L
V
I
V
A
D
D
L
G
F
S
D
I
-
G
-
A
F
G
-
G
-
E
-
I
A
-
T
P
N
L
D
A
L
A
I
A
G
--
L
R
L
T
-
D
F
H
-
T
-
T
-
S
-
A
--
S
P
T
R
S
M
L
L
--
T
G
---
T
D
H
H
I
A
G
L
G
T
V
A
E
A
L
T
P
E
L
E
G
K
P
G
Y
E
G
H
L
N
E
R
V
V
A
L
P
E
L
L
R
E
A
-
G
Y
Q
T
L
M
A
G
K
W
H
----------
L
------------
G
L
--
K
P
E
----
Q
----
T
--
P
H
A
R
G
-------
F
--------
E
R
S
F
S
L
L
P
G
A
A
N
H
-
Y
G
F
E
P
--------
P
Y
D
E
S
T
P
R
I
L
K
--
G
-----
T
P
A
L
Y
V
E
D
---------
E
R
Y
L
D
----------
T
L
P
E
G
F
------------
Y
S
S
D
A
-----
F
-------
G
D
K
L
L
Q
Y
L
K
E
R
------
D
Q
S
-
R
P
F
F
A
Y
L
P
F
S
A
P
H
W
P
L
Q
A
P
R
E
I
V
E
K
Y
R
G
R
-
Y
--
D
A
G
P
E
A
L
R
Q
E
R
L
A
R
L
K
E
L
G
L
V
E
A
D
V
E
---
A
H
P
V
L
A
-----
L
---
T
-----------------
R
E
W
E
A
----------
L
E
-
D
E
E
R
A
K
S
A
R
A
M
E
V
Y
A
A
M
V
E
R
M
D
W
N
I
G
R
V
V
D
Y
L
R
R
Q
G
E
L
D
N
T
F
V
L
F
M
S
D
N
G
A
E
G
A
L
L
E
A
F
---
P
K
F
G
P
D
L
-
L
D
F
L
D
R
H
Y
D
N
S
L
E
N
I
G
S
A
N
S
Y
V
W
Y
G
P
R
W
A
Q
A
A
T
A
P
S
R
L
Y
K
A
F
T
T
Q
--
G
G
I
R
V
P
A
L
V
R
Y
P
R
---
L
S
R
Q
G
A
I
S
H
A
F
A
--
T
V
M
D
V
T
P
T
L
L
D
L
A
G
V
R
H
P
G
K
R
W
R
G
R
E
----
I
A
E
P
-
R
G
R
S
W
L
G
W
L
S
G
E
T
E
A
-
A
H
D
E
N
T
V
---
T
G
-----
W
G
L
F
G
---------------
M
R
A
I
R
Q
G
D
W
K
A
V
Y
L
------------------
P
A
P
V
G
P
A
T
W
Q
L
Y
D
L
A
R
D
P
G
E
I
H
D
---
L
A
D
S
Q
--
P
G
K
L
A
E
L
I
E
H
W
K
R
Y
V
S
D
T
G
V
V
---------------------------------
2
PsiBlast_PDB
98.31
98%
-84
- C4 -
4CYR
10
ARS_PSEAE
A:
[3-528]
---------------------------
K
R
P
N
F
L
V
I
V
A
D
D
L
G
F
S
D
I
-
G
-
T
F
G
-
G
-
E
-
I
A
-
T
P
N
L
D
A
L
A
I
A
G
--
L
R
L
T
-
D
F
H
-
T
-
A
-
S
-
A
--
S
P
T
R
S
M
L
L
--
T
G
---
T
D
H
H
I
A
G
I
G
T
M
A
E
A
L
T
P
E
L
E
G
K
P
G
Y
E
G
H
L
N
E
R
V
V
A
L
P
E
L
L
R
E
A
-
G
Y
Q
T
L
M
A
G
K
W
H
----------
L
------------
G
L
--
K
P
E
----
Q
----
T
--
P
H
A
R
G
-------
F
--------
E
R
S
F
A
L
L
P
G
A
A
N
H
-
Y
G
F
E
P
--------
P
Y
D
E
S
T
P
R
I
L
K
--
G
-----
T
P
A
L
Y
V
E
D
---------
E
R
Y
L
D
----------
T
L
P
E
G
F
------------
Y
S
S
D
A
-----
F
-------
G
D
K
L
L
Q
Y
L
K
E
R
------
D
Q
S
-
R
P
F
F
A
Y
L
P
F
S
A
P
H
W
P
L
Q
A
P
R
E
I
V
E
K
Y
R
G
R
-
Y
--
D
A
G
P
E
A
L
R
Q
E
R
L
A
R
L
K
E
L
G
L
V
E
A
D
V
E
---
A
H
P
V
L
A
-----
L
---
T
-----------------
R
E
W
E
A
----------
L
E
-
D
E
E
R
A
K
S
A
R
A
M
E
V
Y
A
A
M
V
E
R
M
D
W
N
I
G
R
V
V
D
Y
L
R
R
Q
G
E
L
D
N
T
F
V
L
F
M
S
D
N
G
A
E
G
A
L
L
E
A
F
---
P
K
F
G
P
D
L
-
L
D
F
L
D
R
H
Y
D
N
S
L
E
N
I
G
R
A
N
S
Y
V
W
Y
G
P
R
W
A
Q
A
A
T
A
P
S
R
L
Y
K
A
F
T
T
Q
--
G
G
I
R
V
P
A
L
V
R
Y
P
R
---
L
S
R
Q
G
A
I
S
H
A
F
A
--
T
V
M
D
V
T
P
T
L
L
D
L
A
G
V
R
H
P
G
K
R
W
R
G
R
E
----
I
A
E
P
-
R
G
R
S
W
L
G
W
L
S
G
E
T
E
A
-
A
H
D
E
N
T
V
---
T
G
-----
W
G
L
F
G
---------------
M
R
A
I
R
Q
G
D
W
K
A
V
Y
L
------------------
P
A
P
V
G
P
A
T
W
Q
L
Y
D
L
A
R
D
P
G
E
I
H
D
---
L
A
D
S
Q
--
P
G
K
L
A
E
L
I
E
H
W
K
R
Y
V
S
D
T
G
V
V
E
--------------------------------
21
PsiBlast_CBE
98.28
98%
-84
- C4 -
4CYR
5
ARS_PSEAE
B:
[3-528]
---------------------------
K
R
P
N
F
L
V
I
V
A
D
D
L
G
F
S
D
I
-
G
-
T
F
G
-
G
-
E
-
I
A
-
T
P
N
L
D
A
L
A
I
A
G
--
L
R
L
T
-
D
F
H
-
T
-
A
-
S
---
A
S
P
T
R
S
M
L
L
--
T
G
---
T
D
H
H
I
A
G
I
G
T
M
A
E
A
L
T
P
E
L
E
G
K
P
G
Y
E
G
H
L
N
E
R
V
V
A
L
P
E
L
L
R
E
A
-
G
Y
Q
T
L
M
A
G
K
W
H
----------
L
------------
G
L
--
K
P
E
----
Q
----
T
--
P
H
A
R
G
-------
F
--------
E
R
S
F
A
L
L
P
G
A
A
N
H
-
Y
G
F
E
P
--------
P
Y
D
E
S
T
P
R
I
L
K
--
G
-----
T
P
A
L
Y
V
E
D
---------
E
R
Y
L
D
----------
T
L
P
E
G
F
------------
Y
S
S
D
A
-----
F
-------
G
D
K
L
L
Q
Y
L
K
E
R
------
D
Q
S
-
R
P
F
F
A
Y
L
P
F
S
A
P
H
W
P
L
Q
A
P
R
E
I
V
E
K
Y
R
G
R
-
Y
--
D
A
G
P
E
A
L
R
Q
E
R
L
A
R
L
K
E
L
G
L
V
E
A
D
V
E
---
A
H
P
V
L
A
-----
L
---
T
-----------------
R
E
W
E
A
----------
L
E
-
D
E
E
R
A
K
S
A
R
A
M
E
V
Y
A
A
M
V
E
R
M
D
W
N
I
G
R
V
V
D
Y
L
R
R
Q
G
E
L
D
N
T
F
V
L
F
M
S
D
N
G
A
E
G
A
L
L
E
A
F
---
P
K
F
G
P
D
L
-
L
D
F
L
D
R
H
Y
D
N
S
L
E
N
I
G
R
A
N
S
Y
V
W
Y
G
P
R
W
A
Q
A
A
T
A
P
S
R
L
Y
K
A
F
T
T
Q
--
G
G
I
R
V
P
A
L
V
R
Y
P
R
---
L
S
R
Q
G
A
I
S
H
A
F
A
--
T
V
M
D
V
T
P
T
L
L
D
L
A
G
V
R
H
P
G
K
R
W
R
G
R
E
----
I
A
E
P
-
R
G
R
S
W
L
G
W
L
S
G
E
T
E
A
-
A
H
D
E
N
T
V
---
T
G
-----
W
G
L
F
G
---------------
M
R
A
I
R
Q
G
D
W
K
A
V
Y
L
------------------
P
A
P
V
G
P
A
T
W
Q
L
Y
D
L
A
R
D
P
G
E
I
H
D
---
L
A
D
S
Q
--
P
G
K
L
A
E
L
I
E
H
W
K
R
Y
V
S
D
T
G
V
V
E
--------------------------------
23
PsiBlast_CBE
98.25
98%
-86
- C4 -
4CXS
5
?
B:
[3-527]
---------------------------
K
R
P
N
F
L
V
I
V
A
D
D
L
G
F
S
D
I
-
G
-
T
F
G
-
G
-
E
-
I
A
-
T
P
N
L
D
A
L
A
I
A
G
--
L
R
L
T
-
D
F
H
-
T
-
A
-
S
---
A
S
P
T
R
S
M
L
L
--
T
G
---
T
D
H
H
I
A
G
I
G
T
M
A
E
A
---------
G
Y
E
G
H
L
N
E
R
V
V
A
L
P
E
L
L
R
E
A
-
G
Y
Q
T
L
M
A
G
K
W
H
----------
L
------------
G
L
--
K
P
E
----
Q
----
T
--
P
H
A
R
G
-------
F
--------
E
R
S
F
A
L
L
P
G
A
A
N
H
-
Y
G
F
E
P
--------
P
Y
D
E
S
T
P
R
I
L
K
--
G
-----
T
P
A
L
Y
V
E
D
---------
E
R
Y
L
D
----------
T
L
P
E
G
F
------------
Y
S
S
D
A
-----
F
-------
G
D
K
L
L
Q
Y
L
K
E
R
------
D
Q
S
-
R
P
F
F
A
Y
L
P
F
S
A
P
H
W
P
L
Q
A
P
R
E
I
V
E
K
Y
R
G
R
-
Y
--
D
A
G
P
E
A
L
R
Q
E
R
L
A
R
L
K
E
L
G
L
V
E
A
D
V
E
---
A
H
P
V
L
A
-----
L
---
T
-----------------
R
E
W
E
A
----------
L
E
-
D
E
E
R
A
K
S
A
R
A
M
E
V
Y
A
A
M
V
E
R
M
D
W
N
I
G
R
V
V
D
Y
L
R
R
Q
G
E
L
D
N
T
F
V
L
F
M
S
D
N
G
A
E
G
A
L
L
E
A
F
----
K
F
G
P
D
L
-
L
D
F
L
D
R
H
Y
D
N
S
L
E
N
I
G
R
A
N
S
Y
V
W
Y
G
P
R
W
A
Q
A
A
T
A
P
S
R
L
Y
K
A
F
T
T
Q
--
G
G
I
R
V
P
A
L
V
R
Y
P
R
---
L
S
R
Q
G
A
I
S
H
A
F
A
--
T
V
M
D
V
T
P
T
L
L
D
L
A
G
V
R
H
P
G
K
R
W
R
G
R
E
----
I
A
E
P
-
R
G
R
S
W
L
G
W
L
S
G
E
T
E
A
-
A
H
D
E
N
T
V
---
T
G
-----
W
G
L
F
G
---------------
M
R
A
I
R
Q
G
D
W
K
A
V
Y
L
------------------
P
A
P
V
G
P
A
T
W
Q
L
Y
D
L
A
R
D
P
G
E
I
H
D
---
L
A
D
S
Q
--
P
G
K
L
A
E
L
I
E
H
W
K
R
Y
V
S
D
T
G
V
V
---------------------------------
1
PsiBlast_PDB
98.14
98%
-86
- C4 -
4CXU
2
?
A:
[3-527]
---------------------------
K
R
P
N
F
L
V
I
V
A
D
D
L
G
F
S
D
I
-
G
-
T
F
G
-
G
-
E
-
I
A
-
T
P
N
L
D
A
L
A
I
A
G
--
L
R
L
T
-
D
F
H
-
T
-
A
-
S
-
A
--
S
P
T
R
S
M
L
L
--
T
G
---
T
D
H
H
I
A
G
I
G
T
M
A
E
A
L
--------
G
Y
E
G
H
L
N
E
R
V
V
A
L
P
E
L
L
R
E
A
-
G
Y
Q
T
L
M
A
G
K
W
H
----------
L
------------
G
L
--
K
P
E
----
Q
----
T
--
P
H
A
R
G
-------
F
--------
E
R
S
F
A
L
L
P
G
A
A
N
H
-
Y
G
F
E
P
--------
P
Y
D
E
S
T
P
R
I
L
K
--
G
-----
T
P
A
L
Y
V
E
D
---------
E
R
Y
L
D
----------
T
L
P
E
G
F
------------
Y
S
S
D
A
-----
F
-------
G
D
K
L
L
Q
Y
L
K
E
R
------
D
Q
S
-
R
P
F
F
A
Y
L
P
F
S
A
P
H
W
P
L
Q
A
P
R
E
I
V
E
K
Y
R
G
R
-
Y
--
D
A
G
P
E
A
L
R
Q
E
R
L
A
R
L
K
E
L
G
L
V
E
A
D
V
E
---
A
H
P
V
L
A
-----
L
---
T
-----------------
R
E
W
E
A
----------
L
E
-
D
E
E
R
A
K
S
A
R
A
M
E
V
Y
A
A
M
V
E
R
M
D
W
N
I
G
R
V
V
D
Y
L
R
R
Q
G
E
L
D
N
T
F
V
L
F
M
S
D
N
G
A
E
G
A
L
L
E
A
F
---
P
K
F
G
P
D
L
-
L
D
F
L
D
R
H
Y
D
N
S
L
E
N
I
G
R
A
N
S
Y
V
W
Y
G
P
R
W
A
Q
A
A
T
A
P
S
R
L
Y
K
A
F
T
T
Q
--
G
G
I
R
V
P
A
L
V
R
Y
P
R
---
L
S
R
Q
G
A
I
S
H
A
F
A
--
T
V
M
D
V
T
P
T
L
L
D
L
A
G
V
R
H
P
G
K
R
W
R
G
R
E
----
I
A
E
P
-
R
G
R
S
W
L
G
W
L
S
G
E
T
E
A
-
A
H
D
E
N
T
V
---
T
G
-----
W
G
L
F
G
---------------
M
R
A
I
R
Q
G
D
W
K
A
V
Y
L
------------------
P
A
P
V
G
P
A
T
W
Q
L
Y
D
L
A
R
D
P
G
E
I
H
D
---
L
A
D
S
Q
--
P
G
K
L
A
E
L
I
E
H
W
K
R
Y
V
S
D
T
G
V
V
---------------------------------
22
PsiBlast_CBE
98.09
98%
-86
- C4 -
4CXU
2
?
B:
[3-527]
---------------------------
K
R
P
N
F
L
V
I
V
A
D
D
L
G
F
S
D
I
-
G
-
T
F
G
-
G
-
E
-
I
A
-
T
P
N
L
D
A
L
A
I
A
G
--
L
R
L
T
-
D
F
H
-
T
-
A
-
S
---
A
S
P
T
R
S
M
L
L
--
T
G
---
T
D
H
H
I
A
G
I
G
T
M
A
E
A
L
--------
G
Y
E
G
H
L
N
E
R
V
V
A
L
P
E
L
L
R
E
A
-
G
Y
Q
T
L
M
A
G
K
W
H
----------
L
------------
G
L
--
K
P
E
----
Q
----
T
--
P
H
A
R
G
-------
F
--------
E
R
S
F
A
L
L
P
G
A
A
N
H
-
Y
G
F
E
P
--------
P
Y
D
E
S
T
P
R
I
L
K
--
G
-----
T
P
A
L
Y
V
E
D
---------
E
R
Y
L
D
----------
T
L
P
E
G
F
------------
Y
S
S
D
A
-----
F
-------
G
D
K
L
L
Q
Y
L
K
E
R
------
D
Q
S
-
R
P
F
F
A
Y
L
P
F
S
A
P
H
W
P
L
Q
A
P
R
E
I
V
E
K
Y
R
G
R
-
Y
--
D
A
G
P
E
A
L
R
Q
E
R
L
A
R
L
K
E
L
G
L
V
E
A
D
V
E
---
A
H
P
V
L
A
-----
L
---
T
-----------------
R
E
W
E
A
----------
L
E
-
D
E
E
R
A
K
S
A
R
A
M
E
V
Y
A
A
M
V
E
R
M
D
W
N
I
G
R
V
V
D
Y
L
R
R
Q
G
E
L
D
N
T
F
V
L
F
M
S
D
N
G
A
E
G
A
L
L
E
A
F
---
P
K
F
G
P
D
L
-
L
D
F
L
D
R
H
Y
D
N
S
L
E
N
I
G
R
A
N
S
Y
V
W
Y
G
P
R
W
A
Q
A
A
T
A
P
S
R
L
Y
K
A
F
T
T
Q
--
G
G
I
R
V
P
A
L
V
R
Y
P
R
---
L
S
R
Q
G
A
I
S
H
A
F
A
--
T
V
M
D
V
T
P
T
L
L
D
L
A
G
V
R
H
P
G
K
R
W
R
G
R
E
----
I
A
E
P
-
R
G
R
S
W
L
G
W
L
S
G
E
T
E
A
-
A
H
D
E
N
T
V
---
T
G
-----
W
G
L
F
G
---------------
M
R
A
I
R
Q
G
D
W
K
A
V
Y
L
------------------
P
A
P
V
G
P
A
T
W
Q
L
Y
D
L
A
R
D
P
G
E
I
H
D
---
L
A
D
S
Q
--
P
G
K
L
A
E
L
I
E
H
W
K
R
Y
V
S
D
T
G
V
V
---------------------------------
3
PsiBlast_PDB
97.71
98%
-85
- C4 -
4CXS
4
?
A:
[3-527]
---------------------------
K
R
P
N
F
L
V
I
V
A
D
D
L
G
F
S
D
I
-
G
-
T
F
G
-
G
-
E
-
I
A
-
T
P
N
L
D
A
L
A
I
A
G
--
L
R
L
T
-
D
F
H
-
T
-
A
-
S
-
A
--
S
P
T
R
S
M
L
L
--
T
G
---
T
D
H
H
I
A
G
I
G
T
M
A
E
A
L
---
L
E
G
K
P
G
Y
E
G
H
L
N
E
R
V
V
A
L
P
E
L
L
R
E
A
-
G
Y
Q
T
L
M
A
G
K
W
H
----------
L
------------
G
L
--
K
P
E
----
Q
----
T
--
P
H
A
R
G
-------
F
--------
E
R
S
F
A
L
L
P
G
A
A
N
H
-
Y
G
F
E
P
--------
P
Y
D
E
S
T
P
R
I
L
K
--
G
-----
T
P
A
L
Y
V
E
D
---------
E
R
Y
L
D
----------
T
L
P
E
G
F
------------
Y
S
S
D
A
-----
F
-------
G
D
K
L
L
Q
Y
L
K
E
R
------
D
Q
S
-
R
P
F
F
A
Y
L
P
F
S
A
P
H
W
P
L
Q
A
P
R
E
I
V
E
K
Y
R
G
R
-
Y
--
D
A
G
P
E
A
L
R
Q
E
R
L
A
R
L
K
E
L
G
L
V
E
A
D
V
E
---
A
H
P
V
L
A
-----
L
---
T
-----------------
R
E
W
E
A
----------
L
E
-
D
E
E
R
A
K
S
A
R
A
M
E
V
Y
A
A
M
V
E
R
M
D
W
N
I
G
R
V
V
D
Y
L
R
R
Q
G
E
L
D
N
T
F
V
L
F
M
S
D
N
G
A
E
G
A
L
L
E
A
F
---
P
K
F
G
P
D
L
-
L
D
F
L
D
R
H
Y
D
N
S
L
E
N
I
G
R
A
N
S
Y
V
W
Y
G
P
R
W
A
Q
A
A
T
A
P
S
R
L
Y
K
A
F
T
T
Q
--
G
G
I
R
V
P
A
L
V
R
Y
P
R
---
L
S
R
Q
G
A
I
S
H
A
F
A
--
T
V
M
D
V
T
P
T
L
L
D
L
A
G
V
R
H
P
G
K
R
W
R
G
R
E
----
I
A
E
P
-
R
G
R
S
W
L
G
W
L
S
G
E
T
E
A
-
A
H
D
E
N
T
V
---
T
G
-----
W
G
L
F
G
---------------
M
R
A
I
R
Q
G
D
W
K
A
V
Y
L
------------------
P
A
P
V
G
P
A
T
W
Q
L
Y
D
L
A
R
D
P
G
E
I
H
D
---
L
A
D
S
Q
--
P
G
K
L
A
E
L
I
E
H
W
K
R
Y
V
S
D
T
G
V
V
---------------------------------
6
PsiBlast_PDB
63.57
25%
-76
- C4 -
3ED4
6
?
A:
[27-474]
----------------------------
Q
P
N
L
V
I
I
M
A
D
D
L
G
Y
G
D
L
-
A
-
T
Y
G
-
H
-
Q
-
I
V
K
T
P
N
I
D
R
L
A
Q
E
G
--
V
K
F
T
-
D
Y
Y
-
A
P
A
-
P
-
L
-
S
S
P
S
R
A
G
L
L
--
T
G
---
R
M
P
F
R
T
G
I
R
S
W
I
P
S
---------
G
K
D
V
A
L
G
R
N
E
L
T
I
A
N
L
L
K
A
Q
-
G
Y
D
T
A
M
M
G
K
L
H
----------
L
------------
N
A
--
G
G
D
----
R
----
T
DQ
P
Q
A
Q
D
-------
M
--------
G
F
D
Y
S
L
----
A
N
T
-
A
G
F
------------------
V
T
D
--
A
-----
T
L
D
N
A
K
E
R
---------
P
R
Y
G
M
----------
V
Y
P
T
G
W
LRNG
Q
P
T
P
RADK
M
S
G
E
Y
-----
V
-------
S
S
E
V
V
N
W
L
D
N
K
------
K
D
S
-
K
P
F
F
L
Y
V
A
F
T
E
V
H
S
P
L
A
S
P
K
K
Y
L
D
M
Y
S
Q
------------------------
Y
M
S
A
Y
Q
K
---
Q
H
P
D
L
------
F
---
Y
-----------------
G
D
W
A
D
------------------
K
P
W
R
G
V
G
E
Y
Y
A
N
I
S
Y
L
D
A
Q
V
G
K
V
L
D
K
I
K
A
M
G
E
E
D
N
T
I
V
I
F
T
S
D
N
G
P
--
V
T
R
E
A
R
---
K
V
Y
E
L
N
L
-
A
G
E
T
D
G
L
R
-------
G
R
K
D
N
-
L
W
---------------------
E
--
G
G
I
R
V
P
A
I
I
K
Y
G
K
---
H
L
P
Q
G
M
V
S
D
T
P
V
--
Y
G
L
D
W
M
P
T
L
A
K
M
M
N
F
K
L
P
T
D
R
T
F
D
G
E
SL
V
P
V
L
E
Q
-
K
A
L
K
R
E
K
P
L
I
F
G
I
D
M
-
P
F
Q
D
D
P
T
---
D
E
-----
W
---------------------
A
I
R
D
G
D
W
K
M
I
-
I
------------------
D
R
N
N
K
P
K
--
Y
L
Y
N
L
K
S
D
R
Y
E
T
L
N
---
L
I
G
K
K
--
P
D
I
E
K
Q
M
Y
G
K
F
L
K
Y
K
T
D
I
D
N
D
S
L
M
K
A
R
G
D
K
------------------------
11
PsiBlast_PDB
62.94
22%
-63
- C4 -
4UPL
1
?
A:
[19-490]
------------------------------
N
I
L
F
I
M
F
D
Q
L
R
W
D
Y
L
-
S
-
C
Y
G
-
H
-
K
T
L
N
-
T
P
H
I
D
R
L
A
A
K
G
--
V
R
F
D
-
R
A
Y
-
I
-
Q
-
S
P
I
-
C
G
S
S
R
M
S
T
Y
--
T
G
---
R
Y
V
H
S
H
G
A
S
---------
W
N
G
I
P
L
K
V
G
E
M
T
-----
M
G
D
H
L
R
A
A
-
G
M
G
C
W
L
V
G
K
T
H
MRAD
E
E
G
M
A
R
L
------------
G
L
--
E
P
D
----
S
----
L
--
I
G
A
R
V
A
E
CGFDV
F
--------
E
R
D
D
G
M
L
P
E
G
P
D
G
-
Y
-
Y
D
P
--------
D
G
A
K
E
Y
N
K
F
L
R
--
A
-----
K
G
--
Y
E
S
D
---------
N
P
W
H
D
FAN
S
G
L
D
DEG
N
V
Q
S
G
W
------------
F
L
K
N
A
-----
T
RPANIAE
E
D
S
E
T
P
Y
L
T
S
R
A
M
E
F
I
E
Q
Q
T
-
G
P
W
C
C
H
L
S
Y
I
K
P
H
W
P
Y
I
V
P
----
E
P
Y
A
S
M
-
F
----
G
P
E
H
V
Q
D
----------
V
V
R
S
D
S
E
R
Q
N
A
H
P
L
F
K
-----
A
F
M
D
T
-----------------
K
V
G
E
A
----------
F
S
-
R
Q
E
V
R
D
A
V
--
I
P
A
Y
M
G
L
I
K
Q
A
D
D
Q
M
G
R
L
F
K
W
L
E
D
T
G
R
M
Q
D
T
M
I
V
L
T
S
D
H
G
---------------------
D
F
L
G
D
H
---------------
W
M
G
E
-------------
K
T
F
F
H
D
--
A
S
T
R
V
P
L
I
I
Y
D
P
R
PEA
D
A
T
R
G
S
V
C
D
A
L
V
--
E
S
I
D
L
A
P
T
F
V
E
A
A
G
----
G
K
--
P
A
M
H
----
I
L
E
---
G
E
S
L
I
P
I
L
H
G
A
R
D
H
-
T
L
R
D
H
V
I
---
C
E
-----
Y
D
F
S
A
S
P
I
A
H
L
N
DISVRQA
V
M
F
M
V
A
D
K
N
W
K
L
I
H
F
------------------
E
A
D
P
R
P
---
M
L
F
D
L
K
N
D
P
Q
E
L
V
D
---
L
G
G
D
P
--
A
H
A
D
V
I
A
G
M
Y
D
K
L
F
R
W
T
R
R
Q
S
Q
R
T
T
R
S
E
E
Q
------------------------
43
HHSearch
62.88
29%
-62
- C4 -
3ED4
6
?
A:
[27-476]
----------------------------
Q
P
N
L
V
I
I
M
A
D
D
L
G
Y
G
D
L
-
A
-
T
Y
G
-
H
Q
I
-
V
K
-
T
P
N
I
D
R
L
A
Q
E
G
--
V
K
F
T
-
D
Y
Y
-
A
P
A
-
P
-
L
-
S
S
P
S
R
A
G
L
L
--
T
G
---
R
M
P
F
R
T
G
I
R
S
W
I
P
S
G
K
---------
D
V
A
L
G
R
N
E
L
T
I
A
N
L
L
K
A
Q
-
G
Y
D
T
A
M
M
G
K
L
H
----------
L
------------
N
A
--
G
G
D
----
R
TDQP
Q
--
A
Q
D
M
G
-------
F
--------
D
Y
S
L
A
N
T
A
G
F
V
T
D
-
A
T
L
D
N
---------
A
K
E
R
-
P
R
Y
G
M
--
V
-----
Y
P
T
G
W
L
R
N
---------
G
Q
-
P
-----------
T
P
R
A
D
K
------------
M
S
G
E
Y
-----
V
-------
S
S
E
V
V
N
W
L
D
N
K
------
K
D
S
-
K
P
F
F
L
Y
V
A
F
T
E
V
H
S
P
L
A
S
P
K
K
Y
L
D
M
Y
S
Q
Y
-
M
--
S
A
----
Y
Q
-----------------
K
---
Q
H
P
D
L
F
-----
Y
---------------------
G
D
W
-------------
A
-
D
----
K
P
W
R
G
V
G
E
Y
Y
A
N
I
S
Y
L
D
A
Q
V
G
K
V
L
D
K
I
K
A
M
G
E
E
D
N
T
I
V
I
F
T
S
D
N
G
P
V
T
R
E
A
R
K
V
YEL
N
L
A
G
E
T
-----------------------------------
D
G
L
R
G
R
K
D
N
L
W
E
--
G
G
I
R
V
P
A
I
I
K
Y
G
K
---
H
L
P
Q
G
M
V
S
D
T
P
V
--
Y
G
L
D
W
M
P
T
L
A
K
M
M
N
F
K
L
P
T
D
-----------
R
T
F
-
D
G
E
S
L
V
P
V
L
E
Q
K
A
L
K
-
R
E
K
P
L
I
F
---
G
I
DMPFQ
D
D
P
T
D
---------------
E
W
A
I
R
D
G
D
W
K
M
I
I
D
------------------
R
N
---
N
K
P
K
Y
L
Y
N
L
K
S
D
R
Y
E
T
L
N
---
L
I
G
K
K
--
P
D
I
E
K
Q
M
Y
G
K
F
L
K
Y
K
T
D
I
D
N
D
S
L
M
K
A
R
G
D
K
------------------------
69
Fugue
62.39
28%
-53
- C4 -
1E3C
2
ARSA_HUMAN
P:
[1-485]
---------------------------
R
P
P
N
I
V
L
I
F
A
D
D
L
G
Y
G
D
L
-
G
-
C
Y
G
H
P
-
S
-
S
T
-
T
P
N
L
D
Q
L
A
A
G
G
--
L
R
F
T
-
D
F
Y
V
P
-
V
-
S
-
L
-
S
T
P
S
R
A
A
L
L
--
T
G
---
R
L
P
V
R
M
G
M
--------
Y
P
G
V
L
V
P
S
S
R
G
G
L
P
L
E
E
V
T
V
A
E
V
L
A
A
R
-
G
Y
L
T
G
M
A
G
K
W
H
----------
L
------------
G
V
GP
E
G
A
----
F
----
L
--
P
P
H
Q
G
-------
F
--------
H
R
F
L
G
I
P
Y
S
H
D
Q
G
-
P
C
Q
N
L
--------
T
C
F
P
P
A
T
P
C
D
G
--
G
CDQGL
V
P
I
P
L
L
A
N
---------
L
S
V
E
A
----------
Q
P
P
W
L
P
------------
G
L
E
A
R
-----
Y
-------
M
A
F
A
H
D
L
M
A
D
A
------
Q
R
E
D
R
P
F
F
L
Y
Y
A
S
H
H
T
H
Y
P
Q
F
S
G
Q
S
F
A
E
R
S
G
------------------------------------------------------------------------------------------------
R
G
P
F
G
D
S
L
M
E
L
D
A
A
V
G
T
L
M
T
A
I
G
D
L
G
L
L
E
E
T
L
V
I
F
T
A
D
N
G
P
E
T
M
R
M
S
R
G
---
G
C
S
G
L
--------------------------------------
L
R
C
G
K
G
T
T
Y
E
--
G
G
V
R
E
P
A
L
A
F
W
P
G
---
H
I
A
P
G
-
V
T
H
E
L
A
--
S
S
L
D
L
L
P
T
L
A
A
L
A
G
A
P
L
P
N
V
T
------------
L
-
D
G
F
D
L
S
P
L
L
L
G
T
G
K
S
-
P
R
Q
S
L
F
F
YPS
Y
P
-----
D
E
V
R
G
---------------
V
F
A
V
R
T
G
K
Y
K
A
H
F
F
TQGSAHSDTTADPACHAS
S
S
L
T
A
H
E
P
P
L
L
Y
D
L
S
K
D
P
G
E
N
Y
N
---
L
L
G
A
T
--
P
E
V
L
Q
A
L
K
Q
L
Q
L
L
K
A
Q
L
D
A
A
V
T
F
G
P
S
Q
V
A
R
GEDPALQICCHPGCTPRPACCHCP
47
HHSearch
59.91
22%
-62
- C4 -
3B5Q
15
?
A:
[15-448]
---------------------------
E
K
P
N
F
L
I
I
Q
C
D
H
L
T
Q
R
V
V
-
G
-
A
Y
G
-
Q
T
Q
-
G
C
-
T
L
P
I
D
E
V
A
S
R
G
--
V
I
F
S
-
N
A
Y
-
V
G
C
-
P
-
L
-
S
Q
P
S
R
A
A
L
W
--
S
G
---
M
M
P
H
Q
T
N
V
R
S
N
S
S
E
P
---------
V
N
T
R
L
P
E
N
V
P
T
L
G
S
L
F
S
E
S
-
G
Y
E
A
V
H
F
G
K
T
H
----------
D
------------
M
G
------------------
S
L
R
G
-------
F
--------
K
H
K
E
P
V
A
K
P
-----
F
T
D
-
P
--------
E
F
P
-------------------------------------------------
V
N
N
D
S
------------
F
L
D
V
G
-----
T
-------
C
E
D
A
V
A
Y
L
S
N
P
-------
P
K
-
E
P
F
I
C
I
A
D
F
Q
N
P
H
N
I
C
G
F
I
G
E
N
A
G
V
H
T
D
R
P
I
--
S
G
P
L
P
E
L
P
D
N
-
F
--------
D
V
E
D
W
S
---
N
I
P
T
P
V
Q
Y
I
CC
S
---
H
-----------------
R
R
M
T
Q
----------
A
A
-
H
W
N
E
E
N
Y
R
H
Y
I
A
A
F
Q
H
Y
T
K
M
V
S
K
Q
V
D
S
V
L
K
A
L
Y
S
T
P
A
G
R
N
T
I
V
V
I
M
A
D
H
G
D
G
------------
M
A
S
H
R
M
V
T
------------------------------------
K
H
I
S
F
Y
D
--
E
M
T
N
V
P
F
I
F
A
G
P
G
---
I
K
Q
Q
K
K
P
V
D
H
L
L
T
Q
P
T
L
D
L
L
P
T
L
C
D
L
A
G
I
A
V
P
-------------
A
E
K
-
A
G
I
S
L
A
P
T
L
R
G
E
K
Q
K
K
S
H
P
Y
V
V
S
---
E
W
H
S
EYE
Y
V
T
T
P
---------------
G
R
M
V
R
G
P
R
Y
K
Y
T
H
Y
------------------
L
E
---
G
N
G
E
E
L
Y
D
M
K
K
D
P
G
E
R
K
N
---
L
A
K
D
P
KY
S
K
I
L
A
E
H
R
A
L
L
D
D
Y
I
T
R
S
K
D
D
Y
R
S
L
K
V
D
A
D
------------------------
13
PsiBlast_PDB
54.52
22%
-57
- C4 -
4UPK
-
?
A:
[33-447]
----------------------------
Q
S
N
V
L
F
I
I
I
D
Q
L
R
A
D
C
L
W
G
-
A
L
A
-
D
-
H
-
V
E
-
L
P
H
L
R
A
L
A
Q
D
A
--
V
S
F
R
-
R
H
Y
-
S
-
V
-
T
-
N
P
C
G
P
S
R
A
S
I
L
--
T
G
QYA
M
N
H
R
S
V
R
N
G
T
P
L
R
H
D
T
P
N
I
A
T
E
-----------------
M
R
K
A
-
G
Y
L
P
L
L
F
G
Y
T
D
----------
T
S
Q
D
PRAYDAND
P
A
L
--
K
T
Y
----
E
----
F
--
P
-
M
R
G
-------
F
HEV
T
E
M
R
L
E
M
S
Y
P
W
Q
S
H
L
K
N
R
G
Y
A
F
D
D
Y
A
Q
V
Y
VPR
P
D
A
D
G
T
P
R
L
----
N
-----
G
P
A
M
Y
R
A
E
---------
D
S
----------------
D
T
A
------------
F
L
T
D
Q
-----
F
-------
L
A
N
M
P
A
W
A
G
Q
N
------------
W
F
A
H
L
T
Y
I
R
P
H
P
P
L
V
A
P
----
A
P
Y
N
T
M
-
Y
--
D
P
A
-------
K
L
P
L
P
A
R
L
P
G
R
D
D
E
T
A
---
E
H
P
F
F
G
-----
P
---
A
-----------------
T
R
Y
S
S
P
A
S
F
V
LGFPD
L
E
P
T
D
E
T
I
Q
T
L
R
A
--
V
Y
L
G
L
A
T
E
V
D
T
H
I
G
R
V
I
A
H
L
K
E
T
G
Q
Y
D
D
T
L
I
V
V
T
A
D
H
G
-----------------
E
M
-
L
G
--
D
R
H
------
S
W
G
K
M
T
V
Y
-----------------------
D
--
A
A
Y
H
T
P
L
I
I
R
A
P
G
----
C
K
P
G
H
V
V
E
A
P
T
--
E
S
I
D
L
M
P
T
I
L
D
----------
W
V
G
Q
E
----
I
P
N
A
V
D
G
R
S
L
R
P
F
L
T
G
E
A
P
------------
S
D
-----
W
-----------------------
R
Q
Y
S
F
S
E
L
D
I
------------------
S
E
P
L
D
P
T
L
W
Q
Q
E
F
G
F
G
P
S
A
G
A
V
A
---
I
L
R
D
A
--
R
F
T
L
V
E
F
A
A
D
L
P
P
M
L
F
D
H
Q
G
E
G
E
F
R
N
V
A
G
D
------------------------
50
HHSearch
53.77
21%
-70
* C4 *
3LXQ
1
?
A:
[83-412]
--------------------------
G
K
R
K
N
L
V
I
L
L
Q
E
S
L
G
A
Q
F
V
-
G
-
S
L
G
-
G
-
L
-
P
L
-
T
P
N
L
D
E
L
M
Q
E
G
--
W
Q
F
T
-
Q
M
Y
-
A
-
T
G
T
-
R
-
S
V
R
G
I
E
A
V
T
--
T
G
---
F
P
P
S
P
S
R
A
V
V
K
L
S
--------------
K
S
Q
T
G
F
F
T
I
A
D
L
L
K
E
Q
-
G
Y
H
T
Q
F
I
Y
G
G
E
----------
A
------------
N
F
--
D
N
M
K
---
T
----
F
--
F
F
G
N
G
-------
F
--------
D
Q
I
V
E
E
K
N
--------------------
Y
T
N
P
---
G
F
------------------------------------------
V
G
S
W
G
------------
V
S
D
E
D
-----
L
-------
Y
N
K
A
D
E
E
F
E
R
L
S
-----
K
G
D
-
K
P
F
F
S
L
V
F
T
S
S
N
H
S
P
Y
E
Y
P
E
G
K
I
E
Q
Y
D
----------------------------------------------------------------------------------------------
S
E
H
M
T
R
N
N
A
V
K
Y
S
D
Y
A
L
G
T
F
F
D
K
A
K
K
S
S
Y
W
D
D
T
I
F
I
V
I
A
D
H
D
A
R
V
-----------
F
G
A
N
-------------------------------------------
L
V
P
V
--
K
H
F
H
I
P
A
L
I
I
G
K
D
---
I
Q
--
P
R
K
D
D
R
I
A
--
N
N
I
D
M
P
P
T
L
L
S
L
I
G
V
D
A
K
-------------
T
P
M
-
I
G
R
D
L
T
K
P
L
A
R
E
D
E
-----
R
------
A
M
-----
M
Q
Y
D
K
---------------
N
F
G
Y
L
T
R
D
N
L
V
V
L
S
------------------
P
G
----
E
K
V
S
T
M
E
Y
D
F
E
S
Q
T
M
K
P
---
L
E
V
D
E
--
S
V
I
D
R
A
K
A
N
A
L
F
A
S
K
A
Y
Q
N
N
W
Y
S
S
K
R
----------------------------
70
Fugue
49.89
15%
-54
- C4 -
2W5Q
2
LTAS_STAAW
A:
[1-424]
S
E
D
D
L
T
K
V
L
N
Y
T
KQRQTEPNPEYYG
V
A
K
K
K
N
I
I
K
I
H
L
E
S
F
Q
T
F
L
I
-
N
K
K
V
N
-
G
-
K
-
E
V
-
T
P
F
L
N
K
L
S
S
G
K
--
E
Q
F
T
-
Y
F
--------------
P
N
F
F
H
--
Q
T
---
G
Q
G
K
T
S
D
S
E
F
T
M
D
N
S
L
Y
G
L
P
Q
G
S
A
F
S
L
K
G
D
N
T
Y
Q
S
L
P
A
I
L
D
Q
K
Q
G
Y
K
S
D
V
M
H
-------------------------------------------------
G
-------
D
--------
Y
K
T
F
W
N
R
D
Q
V
Y
K
H
-
F
G
I
D
K
--------
F
Y
D
A
T
Y
-----------------
Y
D
M
S
---------
D
K
N
V
V
----------
N
L
G
---------------
L
K
D
K
I
-----
F
-------
F
K
D
S
A
N
Y
Q
A
K
M
------
K
S
---
P
F
Y
S
H
L
I
T
L
T
N
H
Y
P
F
T
L
D
E
K
D
--------------------------
A
T
I
E
K
S
N
T
G
---------------------------------------------------------------
D
A
T
V
D
G
Y
I
Q
T
A
R
Y
L
D
E
A
L
E
E
Y
I
N
D
L
K
K
K
G
L
Y
D
N
S
V
I
M
I
Y
G
D
H
Y
G
----------------------
I
S
E
N
H
N
N
A
M
E
K
L
L
G
E
K
I
-------------------
T
P
A
K
F
T
--
D
L
N
R
T
G
F
W
I
K
I
P
-----
G
K
S
G
G
I
N
N
E
Y
A
--
G
Q
V
D
V
M
P
T
I
L
H
L
A
G
I
D
T
K
N
Y
L
M
F
G
T
D
----
L
F
S
K
-
G
H
N
Q
V
V
P
F
R
N
G
D
--
F
-
I
T
K
D
Y
K
Y
---
V
N
-----
G
K
I
Y
S
---------------
N
K
N
N
E
L
I
T
T
Q
----------------------
P
A
D
F
E
K
N
K
K
Q
V
E
K
D
L
E
M
S
D
N
V
L
N
G
DL
F
R
F
Y
K
--
N
P
D
F
K
K
V
N
P
S
K
Y
K
Y
E
T
G
P
K
-----------------------------------
52
HHSearch
47.75
16%
-63
- C4 -
2W8D
3
LTAS2_BACSU
A:
[29-338]
--------------------------
A
E
G
K
N
V
I
Y
V
S
L
E
S
L
Q
S
F
I
I
-
D
-
Y
K
I
-
D
G
K
-
E
V
-
T
P
F
L
N
K
L
A
H
D
N
E
T
F
Y
F
D
-
N
F
F
-
H
-
Q
T
G
-
Q
-
G
K
T
S
D
A
E
F
M
M
E
N
S
---
L
Y
P
L
A
Q
G
S
V
F
V
N
K
---------------
A
Q
N
T
L
Q
S
V
P
A
I
L
K
S
K
-
N
Y
T
S
A
T
F
H
G
N
T
----------
Q
------------
T
F
--
W
N
R
N
---
E
----
M
--
Y
K
A
E
G
-------
I
--------
D
K
F
F
D
S
A
Y
------
Y
D
M
N
E
-----------
E
-----------------------------------------------
N
T
K
N
Y
G
------------
M
K
D
K
P
-----
F
-------
F
K
E
S
M
P
L
L
E
S
--------
L
P
-
Q
P
F
Y
T
K
F
I
T
L
S
N
H
F
P
F
G
M
D
E
G
D
T
D
-
F
-------
P
A
------------------------------------------------------------------------------
G
---
D
F
G
D
S
V
V
D
N
Y
F
Q
S
A
H
Y
L
D
Q
S
I
E
Q
F
F
N
D
L
K
K
D
G
L
Y
D
K
S
I
I
V
M
Y
G
D
H
Y
G
I
------------
S
E
N
H
N
-
K
A
M
A
--------
K
V
L
G
K
---------------------
D
E
I
T
D
Y
D
N
A
Q
L
Q
R
V
P
L
F
I
H
A
A
G
---
V
K
--
G
E
K
V
H
K
Y
A
--
G
D
V
D
V
A
P
T
I
L
H
L
L
G
V
D
T
K
D
------------
Y
L
M
-
S
G
S
D
I
L
S
K
E
H
R
E
V
I
P
-
F
R
N
G
D
F
I
---
S
P
-----
K
Y
T
K
I
---------------
S
G
K
Y
Y
D
T
K
T
G
K
E
L
D
------------------
E
S
E
V
D
K
S
E
D
S
L
V
K
K
E
L
E
M
S
D
K
I
I
---
N
G
D
L
L
--
R
F
Y
E
P
K
G
F
K
K
V
N
P
S
D
Y
D
Y
T
K
H
---------------------------------
12
PsiBlast_PDB
47.52
25%
-74
- C4 -
4UPH
2
?
A:
[44-358]
----------------------------
R
P
N
V
L
L
I
S
A
D
Q
W
R
G
D
C
L
-
S
-
A
V
G
H
A
-
S
-
V
K
-
T
P
N
V
D
A
L
A
Q
D
G
--
V
L
F
T
R
H
F
A
-
G
-
T
-
A
-
P
--
S
P
A
R
A
T
L
Y
--
T
G
LYQ
M
N
H
R
V
C
R
N
G
S
P
-----------------
L
D
A
R
F
D
N
L
A
L
A
A
R
R
G
-
G
Y
D
P
T
L
F
G
Y
T
D
----------
T
------------
A
P
--
D
P
R
GMDP
N
----
D
--
P
H
L
T
T
-------
Y
--------
E
---
G
V
L
P
G
F
S
A
R
-
Q
-
L
L
P
--------
E
H
E
K
Q
W
L
S
W
L
R
S
R
G
-----
H
P
E
A
T
S
R
D
IHIPVGATP
G
E
I
S
D
----------
V
A
P
A
--------------
Y
S
K
D
E
T
Q
T
A
F
L
-------
A
G
E
F
I
R
W
L
G
E
Q
------
D
A
---
P
W
F
A
H
V
S
F
L
R
P
H
P
P
F
S
V
P
----
E
P
Y
N
R
M
-
F
TP
S
D
G
P
A
F
A
R
A
A
N
R
---------
E
A
E
Q
A
---
V
H
P
L
L
A
-----
F
---
A
LPLIGKDSFIYGGEGSA
S
D
W
T
S
---------------
E
D
L
S
A
I
R
A
--
I
Y
Y
G
M
I
A
E
V
D
T
Q
L
G
R
I
W
Q
A
L
K
N
V
G
A
W
D
D
T
L
I
I
F
T
S
D
H
A
E
M
M
G
D
H
W
M
L
---
G
K
G
G
F
F
D
-
G
S
Y
H
V
P
L
V
I
R
D
P
G
H
P
G
G
A
G
R
Q
V
E
R
F
T
S
A
A
D
I
F
P
T
L
C
D
R
L
G
L
V
P
D
N
--
H
L
D
G
G
T
L
V
P
F
L
E
G
---
G
E
P
E
G
W
R
D
A
A
F
W
--
E
F
D
F
R
D
I
A
K
G
E
A
E
R
H
F
G
L
K
S
N
A
C
N
L
A
----
V
I
R
D
-
E
R
F
K
Y
V
H
F
A
G
L
P
P
L
L
-
Y
D
L
A
K
D
P
---
M
E
-----
L
T
N
V
A
---------------
A
D
A
D
Y
A
A
V
R
L
G
Y
A
E
------------------
K
L
L
S
L
R
A
Q
H
L
D
Q
T
L
A
Y
T
E
L
T
E
K
G
---
P
V
S
R
R
--
P
-----------------------------------------------------