@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 : Rv0035: (2016-04-18 )
MTAALLSPAIAWQQISACTDRTLTITCEDSEVISYQDLIARAAACIPPLRRLDLKRGEPVLITAHTNLEFLSCFLGLMLHGAVPVPIPPREALKTTERFMTRLGPLLRHHRVLICTPAEHDEIRAAASTDCQISRFTALAEAGDEQFGRATAQQLADTATADWPLCTLDDDAYVQYTSGSTAAPRGVVITYRNLLSNMRAMAVGSQFQHGDVMGSWLPLHHDMGLVGSLFAALFNSVSAVFTTPHRFLYDPLGFLRLLTSSGATHTFMPNFALEWLINAYHRRGADIEGIDLHKMRRLIIASEPVHAEGMRRFAATFAGVGLAPTALGSGYGLAEATVAVSMSAPNTGFRTETHAAAEVVTGGRVLPGYEVRIDAAPGARAGTIKLRGDSVAAKAYVGGKKLDALDEEGFCDTHDLGFLVDDEIVILGRQDEVFIVHGENRFPYDIEFIIRGESEQHRTKVACFGVNERVVVVLESPLDSIIDKAEADRLRCQVVAATGLQLDELITVRRGAIPTTTSGKLKRRAVAQAYRDGTLPRLATHAWTADPDSAPKTTRSSLEGAH
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.......540.......550.......560
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
--------------M
T
A
A
L
L
S
P
A
I
A
W
Q
Q
I
--
S
ACTD
R
T
L
T
I
T
C------E---D---SEV
I
S
Y
Q
D
L
I
A
R
A
A
A
CIP
P
L
R
R
LDLKRG
E
P
V
L
I
T
AHT
N
L
E
F
L
----
S
C
F
L
G
L
M
L
HGAVPVPI-P-
P
---
R
E
A
L
K
T
T
E
R
F
M
T
R
L
G
P
L
L
RH
H
R
-----
V
L
-
I
-CTPA---E
H
--
D
E
----
I
R
A---------AASTD
C
-
Q
-
I
-----
S
R
F
T
A
L
A
EA-G
D
-
E
Q
---
F
G
R
A
T
A
---
Q
Q
L
A
---
D
------T---A-TAD-W--
P
L
--
C
TL--DDD---
A
Y
V
Q
YTSGSTAAP
R
G
V
V
I
T
Y
R
N
L
L
S
N
M
R
-
A
M
A-V---GSQ----FQHGDVMGSWLPLHHDM
G
L
V
G
S
L
F
A
--
A
L
F
N
S
V
S
A
V
FTT
P
H
R
F
LYD
P
L
G
F
L
R
L
L
T----SS-GAT---HTF
M
P
N
F
A
L
E
W
L
I
N
A
Y
H
RRGA---DIEG---I
D
L
H
K
M
R
R
L
I
IASEPV
H
A
E
G
M
R
R
F
A
A
T
F
AGVGLAPTA-LGSGYGL
A
E
A
--
T
V
A
V
S
MSAP--------------NTGF---RT-------------------E-------------T-----------H--------------------A-------------------
A
A
E
V
VTG
G
R
V-L-----P--G
Y
E
V
R
I
------DAA-----P-------GA-------
R
--
A
G
T
I
K
LRG------------D--
S
V
A
A
----
K
A
Y----------VGGKKL--D--A--L-------------------D------EEGFCD------T-HD
L
G
F
L
V-DD
E
--
I
V
-
I
L
GRQD
E
V
F
I
V
HGENRF
P
Y
----
D
I
E
F
I
I
R---GES-EQ
H
R
T
-
K
-
V
A
C
F
-GV------------------------N------------------------
E
----
R
-----
V
V
V
V
LE--S
P
L
D
S
--
I
I
----
D
K
A
--
E
-AD
R
L
R
C
Q
V
V
A
AT----G--L
Q
L
D
E
L
I
T
V
RR----G-------AIPTTTS
G
K
L
K
R
R
A
V
A
Q
A
Y
RDGTLPRLATHAWTADPDSAPK
T
T
R
SSLEGAH
51
Fugue
96.59
29%
-104
- C5 -
5EY9
5
FAA32_MYCMM
A:
[3-626]
YHNPFIVNG
K
I
R
F
P
E
N
T
N
L
V
R
H
V
E
K
W
A
R
V
RG
D
K
L
A
Y
R
F
L
D
F
S
T
------
E
---
R
D
G
V
E
R
D
I
L
W
S
E
F
S
A
R
N
R
A
V
G
A
R
L
Q
Q
V
-
T
Q
P
G
D
R
I
A
I
L
C
P
Q
N
L
D
Y
L
----
I
S
F
F
G
A
L
Y
S
G
R
I
A
V
P
L
-
F
D
P
---
A
E
H
V
G
R
L
H
A
V
L
D
D
C
T
P
-----
S
-----
T
I
-
L
-
T
T
T
D
---
S
A
--
E
G
----
V
R
K
---------
F
I
R
S
R
S
-
A
-
K
-----
E
R
P
R
V
I
A
----------------
V
---
D
A
V
P
---
T
------
E
---
V
-
A
S
T
-
W
--
Q
Q
--
P
N
E
--
L
T
T
---
A
Y
L
Q
Y
T
V
-----
P
S
G
V
Q
I
T
H
L
N
L
P
T
N
V
L
-
Q
V
L
-
N
---
A
L
E
----
G
Q
E
G
D
R
G
V
S
W
L
P
F
F
H
D
M
G
L
I
T
V
L
L
A
--
S
V
L
G
H
-
S
F
T
F
M
T
P
A
A
F
V
R
R
P
G
R
W
I
R
E
L
A
RKPG
E
T
-
G
G
T
---
F
S
A
A
P
N
F
A
F
E
H
A
A
M
R
G
V
P
R
D
D
---
E
-
P
P
---
L
D
L
S
N
V
K
G
I
L
N
G
S
E
P
V
S
P
A
S
M
R
K
F
F
K
A
F
E
P
Y
G
L
R
E
T
A
-
V
K
P
S
Y
G
L
A
E
A
--
T
L
F
V
S
T
T
-
P
--------------
M
D
E
V
---
P
T
-------------------
V
-------------
I
-----------
H
--------------------
V
D
R
D
E
L
N
K
Q
R
F
V
E
V
A
ADAPN
A
V
A
Q
V
S
A
G
K
V
-
G
-----
V
--
D
E
W
A
V
I
V
DTETA
S
E
L
-----
P
-------
D
G
-------
Q
--
I
G
E
I
W
L
H
G
------------
N
--
N
L
G
I
GYWG
K
E
E
----------
E
S
A
Q
T
F
--
R
--
N
--
I
LKSRVPESHAEGAP-----
D
------
D
G
L
W
V
R
------
T
-
G
D
Y
G
T
Y
F
-
K
G
H
--
L
Y
-
I
A
G
R
I
K
D
L
V
I
I
D
G
R
N
H
Y
P
Q
----
D
L
E
Y
T
A
Q
---
E
S
T
-
K
A
L
R
V
G
Y
-
V
A
A
F
-
S
V
P
ANQLP
Q
K
V
F
D
DPHAGLSFDPEDT
S
------------------------
E
----
Q
-----
L
V
I
V
G
E
--
R
A
A
G
T
HK
L
E
----
Y
Q
P
--
I
-
A
D
D
I
R
A
A
I
A
V
G
H
----
G
--
V
T
V
R
D
V
L
L
V
S
A
----
G
-------
T
I
P
R
T
S
S
G
K
I
G
R
R
A
C
R
T
A
Y
I
D
G
S
L
R
S
T
V
F
A
---------------------
1
PsiBlast_PDB
93.30
28%
-107
- C5 -
3KXW
1
?
A:
[36-575]
-------------------------------------------------
E
---
L
---
E
E
T
M
T
Y
E
Q
L
D
Q
H
A
K
A
I
A
A
T
L
Q
A
E
G
A
K
P
G
D
R
V
L
L
L
F
A
P
G
L
P
L
I
----
Q
A
F
L
G
C
L
Y
A
G
C
I
A
V
P
I
-
Y
-
P
PAQ
E
K
L
L
D
K
A
Q
R
I
V
T
N
S
K
P
-----------
V
I
-
V
-
L
M
I
A
---
D
H
-----------------------------
I
-----
K
K
F
T
A
------
N
-
P
K
---
F
L
K
I
P
A
I
A
L
E
S
I
E
---
L
------
N
---
R
-
S
S
S
-
W
--
Q
P
--
T
S
I
KS
N
D
I
---
A
F
L
Q
Y
T
S
G
S
T
M
H
P
K
G
V
M
V
S
H
H
N
L
L
D
N
L
N
-
K
I
F
-
T
---
S
F
H
----
M
N
D
E
T
I
I
F
S
W
L
P
P
H
H
D
M
G
L
I
G
C
I
L
T
--
P
I
Y
G
G
I
Q
A
I
M
M
S
P
F
S
F
L
Q
N
P
L
S
W
L
K
H
I
T
----
K
Y
-
K
A
T
---
I
S
G
S
P
N
F
A
Y
D
Y
C
V
K
R
I
--
R
E
E
---
K
K
E
G
---
L
D
L
S
S
W
V
T
A
F
N
G
A
E
P
V
R
E
E
T
M
E
H
F
Y
Q
A
F
K
E
F
G
F
R
K
E
A
-
F
Y
P
C
Y
G
L
A
E
A
--
T
L
L
V
T
G
G
T
P
--------------
G
S
S
Y
---
K
T
-------------------
L
-------------
T
L
A
KEQFQDH
R
V
H
--------------------
F
-------------------
A
D
D
N
S
P
G
S
Y
K
-
L
V
S
SGN
P
--
I
Q
E
V
K
I
-------
I
D
-----
P
-------
D
T
LIPCDFD
Q
--
V
G
E
I
W
V
Q
S
------------
N
--
S
V
A
-----
K
G
Y
WNQ
P
E
E
T
R
H
A
F
A
G
K
I
K
--
D
--
D
------------------------------
A
I
Y
L
R
------
T
-
G
D
L
G
F
L
H
-
E
N
E
--
L
Y
-
V
T
G
R
I
K
D
L
I
I
I
Y
G
K
N
H
Y
P
Q
----
D
I
E
F
S
L
M
---
H
S
P
-
L
H
H
V
L
G
K
-
C
A
A
F
-
V
I
------------------------
Q
------------------------
E
EHEY
K
-----
L
T
V
M
C
E
--
V
K
-
N
R
--
F
M
----
D
D
V
--
A
-
Q
D
N
L
F
N
E
I
F
E
L
V
Y
E
N
H
Q
--
L
E
V
H
T
I
V
L
I
P
L
----
K
-------
A
M
P
H
T
T
S
G
K
I
R
R
N
F
C
R
K
H
L
L
D
K
T
L
P
I
V
A
T
----------------------
7
PsiBlast_PDB
93.18
28%
-95
- C5 -
5EY9
5
FAA32_MYCMM
A:
[54-620]
------------------------------------------------------------
I
L
W
S
E
F
S
A
R
N
R
A
V
G
A
R
L
Q
Q
V
-
T
Q
P
G
D
R
I
A
I
L
C
P
Q
N
L
D
Y
L
----
I
S
F
F
G
A
L
Y
S
G
R
I
A
V
P
L
F
D
-
P
---
A
E
-------------
H
V
G
R
L
H
A
-----
V
L
-
D
D
C
T
P
S
---
T
---------
I
L
T
---------
T
T
D
S
A
E
-
G
-
V
-----
R
K
F
I
R
S
R
S
A
-
K
E
-
R
P
-----
R
V
I
A
---
V
D
A
V
---
P
------
T
---
E
-
V
A
S
T
W
QQ
P
----
N
E
--
L
T
T
---
A
Y
L
Q
Y
T
-----
V
P
S
G
V
Q
I
T
H
L
N
L
P
T
N
V
L
-
Q
V
L
-
N
---
A
L
E
----
G
Q
E
G
D
R
G
V
S
W
L
P
F
F
H
D
M
G
L
I
T
V
L
L
A
--
S
V
L
G
H
-
S
F
T
F
M
T
P
A
A
F
V
R
R
P
G
R
W
I
R
E
L
A
RKPG
E
T
-
G
G
T
---
F
S
A
A
P
N
F
A
F
E
H
A
A
----
M
R
G
V
PRD
D
E
P
P
---
L
D
L
S
N
V
K
G
I
L
N
G
S
E
P
V
S
P
A
S
M
R
K
F
F
K
A
F
E
P
Y
G
L
R
E
T
A
-
V
K
P
S
Y
G
L
A
E
A
--
T
L
F
V
S
-
T
T
P
--------------
M
D
E
V
---
P
T
-------------------
V
-------------
I
-----------
H
V
D
R
D
E
L
N
K
Q
R
F
V
E
V
A
ADAPN
A
-------------------
V
A
Q
V
S
A
G
K
V
G
-
V
-----
D
--
E
W
A
V
I
V
------
D
T
E
TA
S
E
L
P
-------
D
G
-------
Q
--
I
G
E
I
W
L
H
G
------------
N
--
N
L
G
I
-----
G
Y
----------
W
G
K
E
E
E
--
S
--
A
--
Q
T
FRNILKSRVPESHAEGAP
D
------
D
G
L
W
V
R
------
T
-
G
D
Y
G
T
Y
F
-
K
G
H
--
L
Y
-
I
A
G
R
I
K
D
L
V
I
I
D
G
R
N
H
Y
P
Q
----
D
L
E
Y
T
A
Q
---
E
S
T
-
K
A
L
R
V
G
Y
-
V
A
A
F
-
S
V
P
ANQLP
Q
K
V
F
D
DPHAGLSFDPEDT
S
------------------------
E
----
Q
-----
L
V
I
V
G
E
R
A
A
G
T
H
K
--
L
E
----
Y
Q
P
--
I
-
A
D
D
I
R
A
A
I
A
V
G
H
----
G
--
V
T
V
R
D
V
L
L
V
S
A
----
G
-------
T
I
P
R
T
S
S
G
K
I
G
R
R
A
C
R
T
A
Y
I
D
G
S
L
---------------------------
5
PsiBlast_PDB
92.94
28%
-95
- C5 -
5D6J
2
?
A:
[54-616]
------------------------------------------------------------
L
T
W
A
Q
F
S
A
R
N
R
A
V
A
A
R
L
Q
Q
V
-
T
Q
P
G
D
R
V
A
I
L
C
P
Q
N
L
D
Y
L
----
V
A
F
F
G
A
L
Y
A
G
R
I
A
V
P
L
F
D
-
P
---
S
E
P
-----------
G
H
V
G
R
L
H
A
-----
V
L
D
N
-
C
H
P
S
---
A
I
--
L
T
----
T
T
E
---------
A
A
E
G
-----
V
-----
R
K
F
F
R
T
R
P
A
----
N
Q
---
R
P
R
V
I
A
V--
D
A
V
P
---
D
------
D
---
V
-
A
S
T
-
W
--
V
N
--
P
D
E
--
P
D
E
TTI
A
Y
L
Q
Y
T
S
G
S
T
R
I
P
T
G
V
Q
I
T
H
L
N
L
A
T
N
V
V
-
Q
V
I
-
E
---
A
L
E
----
G
E
E
G
D
R
G
L
S
W
L
P
F
F
H
D
M
G
L
I
T
A
L
L
A
--
P
M
I
G
H
Y
F
-
T
F
M
T
P
A
A
F
V
R
R
P
E
R
W
I
R
E
L
A
RKEG
D
T
-
G
G
T
---
I
S
V
A
P
N
F
A
F
D
H
A
A
A
----
R
G
V
---
P
K
P
G
SPP
L
D
L
S
N
V
K
A
V
L
N
G
S
E
P
I
S
A
A
T
V
R
R
F
N
E
A
F
G
P
F
G
F
P
P
K
A
-
I
K
P
S
Y
G
L
A
E
A
--
T
L
F
V
S
T
T
P
S
AE
E
P
K
I
I
T
V
D
R
D
Q
L
N
S
G
R
---
I
V
-------------------
E
-------------
V
-----------
D
--------------------
A
DSPK---------------
A
V
A
Q
A
S
A
G
K
V
G
I
-----
A
--
E
W
A
V
I
V
------
D
A
E
SA
T
E
L
P
-------
D
G
-------
Q
--
V
G
E
I
W
I
S
G
QNMGTGYWGK
P
E
E
--
S
V
A
T
----
F
Q
N
----------
I
L
K
S
R
T
--
N
--
P
--
S
-------------------
H
------
A
E
G
A
T
D
D
A
T
W
V
R
T
-
G
D
Y
G
A
F
Y
-
D
G
D
--
L
Y
-
I
T
G
R
V
K
D
L
V
I
I
D
G
R
N
H
Y
P
Q
----
D
L
E
Y
S
A
Q
---
E
A
S
-
K
A
I
R
T
-
G
Y
V
A
A
F
-
S
V
PANQLP
D
E
V
F
E
NAHSG
I
K
R
D
PDDT
S
------------------------
E
----
Q
-----
L
V
I
V
A
E
R
-
A
P
G
A
H
--
K
L
----
D
I
G
--
P
I
T
D
D
I
R
A
A
I
A
V
R
H
----
G
--
V
T
V
R
D
V
L
L
T
A
A
----
G
-------
A
I
P
R
T
S
S
G
K
I
G
R
R
A
C
R
A
A
Y
L
D
G
S
L
---------------------------
4
PsiBlast_PDB
92.89
28%
-95
- C5 -
5EY8
1
?
A:
[54-616]
------------------------------------------------------------
L
T
W
A
Q
F
S
A
R
N
R
A
V
A
A
R
L
Q
Q
V
-
T
Q
P
G
D
R
V
A
I
L
C
P
Q
N
L
D
Y
L
----
V
A
F
F
G
A
L
Y
A
G
R
I
A
V
P
L
F
D
-
P
---
S
E
P
-----------
G
H
V
G
R
L
H
A
-----
V
L
D
N
-
C
H
P
S
---
A
I
--
L
T
----
T
T
E
---------
A
A
E
G
-----
V
-----
R
K
F
F
R
T
R
P
A
----
N
Q
---
R
P
R
V
I
A
V--
D
A
V
P
---
D
------
D
---
V
-
A
S
T
-
W
--
V
N
--
P
D
E
--
P
D
E
TTI
A
Y
L
Q
Y
T
S
---
R
I
P
T
G
V
Q
I
T
H
L
N
L
A
T
N
V
V
-
Q
V
I
-
E
---
A
L
E
----
G
E
E
G
D
R
G
L
S
W
L
P
F
F
H
D
M
G
L
I
T
A
L
L
A
--
P
M
I
G
H
Y
F
-
T
F
M
T
P
A
A
F
V
R
R
P
E
R
W
I
R
E
L
A
RKEG
D
T
-
G
G
T
---
I
S
V
A
P
N
F
A
F
D
H
A
A
A
----
R
G
V
---
P
K
P
G
SPP
L
D
L
S
N
V
K
A
V
L
N
G
S
E
P
I
S
A
A
T
V
R
R
F
N
E
A
F
G
P
F
G
F
P
P
K
A
-
I
K
P
S
Y
G
L
A
E
A
--
T
L
F
V
S
T
T
P
S
AE
E
P
K
I
I
T
V
D
R
D
Q
L
N
S
G
R
---
I
V
-------------------
E
-------------
V
-----------
D
--------------------
A
DSPK---------------
A
V
A
Q
A
S
A
G
K
V
G
I
-----
A
--
E
W
A
V
I
V
------
D
A
E
SA
T
E
L
P
-------
D
G
-------
Q
--
V
G
E
I
W
I
S
G
QNMGTGYWGK
P
E
E
--
S
V
A
T
----
F
Q
N
----------
I
L
K
S
R
T
--
N
--
P
--
S
-------------------
H
------
A
E
G
A
T
D
D
A
T
W
V
R
T
-
G
D
Y
G
A
F
Y
-
D
G
D
--
L
Y
-
I
T
G
R
V
K
D
L
V
I
I
D
G
R
N
H
Y
P
Q
----
D
L
E
Y
S
A
Q
---
E
A
S
-
K
A
I
R
T
-
G
Y
V
A
A
F
-
S
V
P
ANQLP
D
E
V
F
E
NAHSG
I
K
R
D
PDDT
S
------------------------
E
----
Q
-----
L
V
I
V
A
E
R
-
A
P
-----------
D
I
G
--
P
I
T
D
D
I
R
A
A
I
A
V
R
H
----
G
--
V
T
V
R
D
V
L
L
T
A
A
----
G
-------
A
I
P
R
T
S
S
G
K
I
G
R
R
A
C
R
A
A
Y
L
D
G
S
L
---------------------------
2
PsiBlast_PDB
92.64
28%
-110
- C5 -
3LNV
2
?
A:
[36-575]
-------------------------------------------------
E
---
L
---
E
E
T
M
T
Y
E
Q
L
D
Q
H
A
K
A
I
A
A
T
L
Q
A
E
G
A
K
P
G
D
R
V
L
L
L
F
A
P
G
L
P
L
I
----
Q
A
F
L
G
C
L
Y
A
G
C
I
A
V
P
I
-
Y
-
P
PAQ
E
K
L
L
D
K
A
Q
R
I
V
T
N
S
K
P
-----------
V
I
-
V
-
L
M
I
A
---
D
H
-----------------------------
I
-----
K
K
F
T
---------
P
K
---
F
L
K
I
P
A
I
A
L
E
S
I
E
---
L
------
N
---
R
-
S
S
S
-
W
--
Q
P
--
T
S
I
KS
N
D
I
---
A
F
L
Q
Y
T
S
G
S
T
M
H
P
K
G
V
M
V
S
H
H
N
L
L
D
N
L
N
-
K
I
F
-
T
---
S
F
H
----
M
N
D
E
T
I
I
F
S
W
L
P
P
H
H
D
M
G
L
I
G
C
I
L
T
--
P
I
Y
G
G
I
Q
A
I
M
M
S
P
F
S
F
L
Q
N
P
L
S
W
L
K
H
I
T
----
K
Y
-
K
A
T
---
I
S
G
S
P
N
F
A
Y
D
Y
C
V
K
R
I
--
R
E
E
---
K
K
E
G
---
L
D
L
S
S
W
V
T
A
F
N
G
A
E
P
V
R
E
E
T
M
E
H
F
Y
Q
A
F
K
E
F
G
F
R
K
E
A
-
F
Y
P
C
Y
G
L
A
E
A
--
T
L
L
V
T
G
G
T
P
--------------
G
S
S
Y
---
K
T
-------------------
L
-------------
T
L
A
KEQFQDHR
V
H
--------------------
F
-------------------
A
D
D
-
S
P
G
S
Y
K
-
L
V
S
SGN
P
--
I
Q
E
V
K
I
-------
I
D
-----
P
-------
D
T
L
I
P
C
D
FD
Q
--
V
G
E
I
W
V
Q
S
------------
N
--
S
V
A
-----
K
G
Y
WNQ
P
E
E
T
R
H
A
F
A
G
K
I
K
--
D
--
D
-----------------------------
S
A
I
Y
L
R
------
T
-
G
D
L
G
F
L
H
-
E
N
E
--
L
Y
-
V
T
G
R
I
K
D
L
I
I
I
Y
G
K
N
H
Y
P
Q
----
D
I
E
F
S
L
M
---
H
S
P
-
L
H
H
V
L
G
K
-
C
A
A
F
-
V
I
------------------------
Q
------------------------
E
EHEY
K
-----
L
T
V
M
C
E
--
V
K
-
N
R
--
F
M
----
D
D
V
--
A
-
Q
D
N
L
F
N
E
I
F
E
L
V
Y
E
N
H
Q
--
L
E
V
H
T
I
V
L
I
P
L
----
K
-------
A
M
P
H
--
S
G
K
I
R
R
N
F
C
R
K
H
L
L
D
--
L
P
I
V
A
T
----------------------
6
PsiBlast_PDB
92.50
28%
-90
- C5 -
5ICR
-
?
A:
[54-616]
------------------------------------------------------------
L
T
W
A
Q
F
S
A
R
N
R
A
V
A
A
R
L
Q
Q
V
-
T
Q
P
G
D
R
V
A
I
L
C
P
Q
N
L
D
Y
L
----
V
A
F
F
G
A
L
Y
A
G
R
I
A
V
P
L
F
D
-
P
---
S
E
P
-----------
G
H
V
G
R
L
H
A
-----
V
L
D
N
-
C
H
P
S
---
A
I
--
L
T
----
T
T
E
---------
A
A
E
G
-----
V
-----
R
K
F
F
R
T
R
P
A
----
N
Q
---
R
P
R
V
I
A
V--
D
A
V
P
---
D
------
D
---
V
-
A
S
T
-
W
--
V
N
--
P
D
E
--
P
D
E
TTI
A
Y
L
Q
Y
T
S
---
R
I
P
T
G
V
Q
I
T
H
L
N
L
A
T
N
V
V
-
Q
V
I
-
E
---
A
L
E
----
G
E
E
G
D
R
G
L
S
W
L
P
F
F
H
D
M
G
L
I
T
A
L
L
A
--
P
M
I
G
H
Y
F
-
T
F
M
T
P
A
A
F
V
R
R
P
E
R
W
I
R
E
L
A
RKEG
D
T
-
G
G
T
---
I
S
V
A
P
N
F
A
F
D
H
A
A
A
----
R
G
V
---
P
K
P
G
SPP
L
D
L
S
N
V
K
A
V
L
N
G
S
E
P
I
S
A
A
T
V
R
R
F
N
E
A
F
G
P
F
G
F
P
P
K
A
-
I
K
P
S
Y
G
L
A
E
A
--
T
L
F
V
S
T
T
P
S
AE
E
P
K
I
I
T
V
D
R
D
Q
L
N
S
G
R
---
I
V
-------------------
E
-------------
V
D
ADSP------
K
--------------------
A
-------------------
V
A
Q
A
S
A
G
K
V
G
-
I
-----
A
--
E
W
A
V
I
V
------
D
A
E
SA
T
E
L
P
-------
D
G
-------
Q
--
V
G
E
I
W
I
S
G
QNMGTGYWGK
P
E
E
--
S
V
A
T
----
F
Q
N
----------
I
L
K
S
R
T
--
N
--
P
--
S
-------------------
H
------
A
E
G
A
T
D
D
A
T
W
V
R
T
-
G
D
Y
G
A
F
Y
-
D
G
D
--
L
Y
-
I
T
G
R
V
K
D
L
V
I
I
D
G
R
N
H
Y
P
Q
----
D
L
E
Y
S
A
Q
---
E
A
S
-
K
A
I
R
T
-
G
Y
V
A
A
F
-
S
V
P
ANQLPDEDPDDT-----------
S
------------------------
E
----
Q
-----
L
V
I
V
A
E
R
-
A
P
-----
K
L
----
D
I
G
--
P
I
T
D
D
I
R
A
A
I
A
V
R
H
----
G
--
V
T
V
R
D
V
L
L
T
A
A
----
G
-------
A
I
P
R
T
S
S
G
K
I
G
R
R
A
C
R
A
A
Y
L
D
G
S
L
---------------------------
50
HHSearch
91.90
27%
-103
- C5 -
5D6J
2
?
A:
[23-618]
---------------------
A
H
V
E
R
W
A
K
--
V
R
G
D
K
L
A
Y
R
F
L
D
FSTERD
G
---
V
---
P
R
D
L
T
W
A
Q
F
S
A
R
N
R
A
V
A
A
R
L
Q
Q
-
V
T
Q
P
G
D
R
V
A
I
L
C
P
Q
N
L
D
Y
L
----
V
A
F
F
G
A
L
Y
A
G
R
I
A
V
P
L
-
F
-
D
---
P
S
E
P
G
H
----
V
G
R
L
H
A
V
L
D
N
C
H
PS---
A
I
-
L
-
T
-
T
T
---
E
A
--
A
E
----
G
V
R
---------
K
F
F
R
T
R
-
P
-
A
-----
N
Q
R
---------------
P
R
V
I
A
V
---
D
A
V
P
---
D
DVA---
S
---
T
-
W
V
N
-
P
--
D
E
--
P
D
E
--
T
T
I
---
A
Y
L
Q
Y
T
S
G
S
T
R
I
P
T
G
V
Q
I
T
H
L
N
L
A
T
N
V
V
-
Q
V
I
-
E
---
A
L
E
----
G
E
E
G
D
R
G
L
S
W
L
P
F
F
H
D
M
G
L
I
T
A
-
L
L
--
A
P
M
I
G
H
Y
F
T
F
M
T
P
A
A
F
V
R
R
P
E
R
W
I
R
E
L
A
----
R
K
E
G
D
T
G
G
T
I
S
V
A
P
N
F
A
F
D
H
A
A
A
R
G
V
P
K
-
P
---
G
S
P
P
---
L
D
L
S
N
V
K
A
V
L
N
G
S
E
P
I
S
A
A
T
V
R
R
F
N
E
A
F
G
P
F
G
F
P
P
K
A
-
I
K
P
S
Y
G
L
A
E
A
--
T
L
F
V
S
T
T
P
S
--------------
A
E
E
P
K
I
I
T
V
D
R
-----------------
D
Q
L
N
S
G
R
I
V
E
V
D
AD
S
-----------
P
--------------------
K
-------------------
A
V
A
Q
A
S
A
G
K
V
-
G
-----
I
--
A
E
W
A
V
I
------
V
D
A
-----
E
SA
T
E
L
P
-
D
G
-------
Q
--
V
G
E
I
W
I
S
G
------------
Q
--
N
M
-
G
----
T
G
Y
----------
W
G
K
P
E
E
--
S
V
A
T
--
F
QNILKSRTNPSHAEGAT--
D
------
D
A
T
W
V
R
------
T
-
G
D
Y
G
A
F
Y
-
D
G
D
--
L
Y
-
I
T
G
R
V
K
D
L
V
I
I
D
G
R
N
H
Y
P
Q
----
D
L
E
Y
S
A
Q
---
E
A
S
K
A
I
R
T
G
-
Y
-
V
A
A
F
-
S
V
------------------------
P
ANQLP
D
E
V
F
E
NAHSG
I
K
R
D
PDDT
S
E
----
Q
-----
L
V
I
V
A
E
--
R
A
P
G
A
HK
L
D
----
I
G
P
--
I
-
T
D
D
I
R
A
A
I
A
V
R
H
----
G
--
V
T
V
R
D
V
L
L
T
A
A
----
G
-------
A
I
P
R
T
S
S
G
K
I
G
R
R
A
C
R
A
A
Y
L
D
G
S
L
R
A
-------------------------
3
PsiBlast_PDB
90.48
29%
-105
- C5 -
3PBK
1
?
A:
[43-561]
------------------------------------------
C
------
Q
---
L
---
E
D
Q
L
E
Y
Q
T
L
K
A
R
A
E
A
G
A
K
R
L
L
S
L
N
L
K
K
G
D
R
V
A
L
I
A
E
T
S
S
E
F
V
----
E
A
F
F
A
C
Q
Y
A
G
L
V
A
V
P
L
-
A
-
I
---
P
M
G
V
G
Q
R
D
S
W
S
A
K
L
Q
G
L
L
A
S
------------
C
Q
P
A
A
I
I
T
G
--
D
E
W
L
P
L
V
N
A
---------
A
T
H
D
N
P
-
E
-
L
H
V
L
S
H
A
W
F
K
A
L
P
E
A
--
D
-
V
A
---
L
Q
R
P
V
P
---------------------------------------
N
D
I
---
A
Y
L
Q
Y
T
S
G
S
T
R
F
P
R
G
V
I
I
T
H
R
E
V
M
A
N
L
R
-
A
I
S
H
D
---
G
I
K
----
L
R
P
G
D
R
C
V
S
W
L
P
F
Y
H
D
M
G
L
V
G
F
L
L
T
--
P
V
A
T
Q
L
S
V
D
Y
L
R
T
Q
D
F
A
M
R
P
L
Q
W
L
K
L
I
S
----
K
N
-
R
G
T
---
V
S
V
A
P
P
F
G
Y
E
L
C
Q
R
R
V
N
E
K
-----
D
L
A
E
---
L
D
L
S
C
W
R
V
A
G
I
G
A
E
P
I
S
A
E
Q
L
H
Q
F
A
E
C
F
R
Q
V
N
F
D
N
K
T
-
F
M
P
C
Y
G
L
A
E
N
--
A
L
A
V
S
F
S
D
E
--------------
A
S
G
V
---
V
V
N
E
V
D
R
D
I
L
E
Y
QG
K
A
V
A
PGA
E
-------------
T
-----------
R
--------------------
A
-------------------
V
S
T
F
V
N
C
G
K
A
-
L
-----
P
E
H
G
I
E
I
R
N
------
E
A
G
M
----
P
-------
V
A
-------
E
RV
V
G
H
I
C
I
S
G
------------
P
--
S
L
M
S
----
G
Y
F
----------
G
D
Q
V
S
Q
--
D
--
E
--
I
-------------------
A
------
A
T
G
W
L
D
------
T
-
G
D
L
G
Y
L
L
-
D
G
Y
--
L
Y
-
V
T
G
R
I
K
D
L
I
I
I
R
G
R
N
I
W
P
Q
----
D
I
E
Y
I
A
E
---
Q
E
P
-
E
I
H
S
G
-
D
-
A
I
A
F
V
T
A
------------------------
Q
------------------------
E
----
K
-----
I
I
L
Q
I
Q
--
C
R
I
S
D
----------------
E
E
R
R
G
Q
L
I
H
A
L
----
A
--
A
R
I
Q
S
E
F
G
V
T
A
----
A
I
D
L
L
P
P
H
S
I
P
R
T
S
S
G
K
P
A
R
A
E
A
K
K
R
Y
Q
-------------------------------
8
PsiBlast_PDB
85.52
23%
-91
- C5 -
4R0M
1
?
B:
[47-546]
-------------------------------------------------------------
S
Y
Q
D
L
Y
Q
D
A
L
V
I
L
N
G
L
E
Q
K
G
I
K
L
G
H
K
V
I
L
Q
I
A
K
N
Q
D
F
I
P
A
L
W
A
C
F
L
G
----
G
I
I
P
V
P
L
-
T
-
V
---
A
P
S
Y
D
L
E
N
S
A
V
K
K
L
E
N
V
W
K
---------
I
-
L
-
D
N
P
L
-------------
I
L
S
---------
D
S
E
L
I
T
-
E
-
I
-----
E
K
L
G
T
Y
S
H
L
-
E
G
-
W
Q
---
V
I
S
V
N
E
---
L
R
K
A
---
P
------
S
---
K
-
I
E
Q
-
L
--
P
I
--
L
D
P
--
Q
D
A
---
A
L
L
L
F
T
S
G
S
T
G
M
P
K
G
V
I
L
T
H
H
N
I
L
S
M
T
A
-
G
T
V
-
V
---
M
N
H
----
F
T
Q
Q
E
V
T
L
N
W
M
P
L
D
H
V
G
A
I
V
F
L
G
I
M
--
A
V
D
L
A
C
D
Q
I
H
V
P
M
E
L
V
L
R
Q
P
L
Q
W
L
E
L
I
Q
----
K
H
-
Q
V
S
---
I
S
W
S
P
N
F
A
F
S
-
L
I
N
Q
Q
A
E
E
L
K
---
H
V
-
S
---
Y
N
L
S
S
M
K
F
L
V
N
A
G
E
Q
V
S
V
K
T
I
R
L
F
L
E
I
L
E
K
H
Q
L
Q
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R
A
-
I
K
P
A
F
G
M
T
E
S
--
C
S
G
I
T
W
S
A
G
--------------
L
S
-----
K
N
-------------------
E
-------------
L
-----------
T
--------------------
E
-------------------
E
N
S
F
V
S
L
G
K
P
-
I
-----
P
--
G
A
T
I
R
I
V
D
QEN-
N
P
L
-----
P
-------
E
R
-------
E
--
I
G
R
L
Q
I
Q
G
------------
N
--
S
V
T
K
----
G
Y
Y
----------
N
N
N
E
L
N
--
Q
--
E
--
V
-------------------
F
------
Q
E
G
W
F
T
------
T
-
G
D
L
G
Y
L
S
-
K
G
E
--
L
F
-
I
T
G
R
E
K
Q
E
I
I
I
N
G
V
N
Y
F
A
H
----
E
L
E
T
T
I
E
---
E
L
E
-
G
V
K
V
S
-
Y
-
T
A
A
F
-
A
V
------------------------
F
------------------------
D
----
Q
SRE
T
D
L
L
I
I
T
F
--
S
P
E
S
E
--
Q
F
----
E
Q
G
I
K
V
-
V
R
K
I
R
S
H
V
T
Q
K
F
----
G
--
I
A
P
A
Y
V
I
P
L
E
R
----
N
-------
L
V
P
K
T
S
I
G
K
V
Q
K
S
K
L
K
K
D
F
E
Q
G
-----------------------------
11
PsiBlast_PDB
81.81
24%
-91
- C5 -
4FUQ
7
?
A:
[19-500]
--------------------------------------
L
A
I
E
T
------
A
---
A
---
G
D
K
I
S
Y
A
E
L
V
A
R
A
G
R
V
A
N
V
L
V
A
R
G
L
Q
V
G
D
R
V
A
A
Q
T
E
K
S
V
E
A
L
----
V
L
Y
L
A
T
V
R
A
G
G
V
Y
L
P
L
-
N
-
T
---
A
Y
T
L
H
E
L
D
Y
F
I
T
D
A
E
P
-----
K
-----
I
V
-
V
-
C
D
P
S
---
K
R
--
D
G
----
I
A
A
---------
I
A
A
-------------
K
V
G
A
T
V
E
T
L
G
P
-
D
G
---
R
G
S
L
T
D
---
A
A
A
G
---
A
------
S
---
E
-
A
F
A
-
T
--
I
D
--
R
G
A
--
D
D
L
---
A
A
I
L
Y
T
S
--
T
G
R
S
K
G
A
M
L
S
H
D
N
L
A
S
N
S
L
-
T
L
V
-
D
---
Y
W
R
----
F
T
P
D
D
V
L
I
H
A
L
P
I
Y
H
T
H
G
L
F
V
A
S
N
V
--
T
L
F
A
R
G
S
M
I
F
L
P
K
----
F
D
P
D
K
I
L
D
-
L
M
----
A
R
-
A
T
V
---
L
M
G
V
P
T
F
Y
T
R
L
L
Q
S
P
--
R
L
T
K
---
E
T
T
G
-------
H
M
R
L
F
I
S
G
S
A
P
L
L
A
D
T
H
R
E
W
S
A
K
T
G
------
H
A
-
V
L
E
R
Y
G
M
T
E
T
--
N
--
M
N
T
S
N
P
--------------
Y
D
G
D
---
R
V
-------------------
P
-------------
G
-----------
A
--------------------
V
--------------------------
G
P
A
-
L
-----
P
--
G
V
S
A
R
V
T
DPETG
K
E
L
-----
P
-------
R
G
-------
D
--
I
G
M
I
E
V
K
G
------------
P
--
N
V
F
K
----
G
Y
W
----------
R
M
P
E
K
T
--
K
--
S
E
-
F
-------------------
R
------
D
D
G
F
F
I
------
T
-
G
D
L
G
K
I
D
-
E
R
G
--
Y
V
H
I
L
G
R
G
K
D
L
V
I
T
G
G
F
N
V
Y
P
K
----
E
I
E
S
E
I
D
A
MP
G
V
V
-
E
S
A
V
I
-
G
-
V
P
H
A
-
D
F
------------------------
G
------------------------
E
----
G
-----
V
T
A
V
V
V
--
R
D
K
G
A
--
T
I
----
D
E
A
----------
Q
V
L
H
G
L
----
D
--
G
Q
L
A
K
F
K
M
P
K
K
V
I
F
V
D
-------
D
L
P
R
N
T
M
G
K
V
Q
K
N
V
L
R
E
T
Y
K
D
------------------------------
14
PsiBlast_PDB
81.28
23%
-103
- C5 -
3R44
2
FAC13_MYCTU
A:
[44-516]
------------------------------------------------------------
M
T
Y
A
Q
M
N
A
L
A
N
R
C
A
D
V
L
T
A
L
G
I
A
K
G
D
R
V
A
L
L
M
P
N
S
V
E
F
C
----
C
L
F
Y
G
A
A
K
L
G
A
V
A
V
P
I
-
N
-
T
---
R
L
A
A
P
E
V
S
F
I
L
S
D
S
G
S
K
V
---------
V
I
-
Y
-
G
A
P
S
---
A
P
V
I
D
A
----
I
R
A
---------
Q
A
D
P
P
G
-
T
-
V
-----
T
D
W
---------------
I
G
A
D
S
L
---
A
E
R
L
---
R
------
S
---
A
-
A
A
D
-
E
--
P
A
VE
C
G
G
--
D
D
N
---
L
F
I
M
Y
T
S
---
G
H
P
K
G
V
V
H
T
H
E
S
V
H
S
A
A
S
-
S
W
A
-
S
---
T
I
D
----
V
R
Y
R
D
R
L
L
L
P
L
P
M
F
H
V
A
A
L
T
T
V
I
F
S
--
A
M
R
G
V
T
--
L
I
S
M
P
Q
---
F
D
A
T
K
V
W
S
L
I
V
----
E
--------
E
R
V
C
I
G
G
A
V
P
A
I
L
N
-
F
M
R
Q
V
P
---
E
F
A
E
---
L
D
A
P
D
F
R
Y
F
I
T
G
G
A
P
M
P
E
A
L
I
K
I
Y
A
A
K
N
I
E
V
--------
V
Q
G
Y
A
L
T
E
S
--
C
G
G
G
T
L
L
L
S
--------------
E
D
A
L
---
R
K
-------------------
A
-------------
G
-----------
S
--------------------
A
--------------------------
G
R
A
-
T
-----
M
--
F
T
D
V
A
V
------
R
G
D
-----
D
-------
G
V
IREH---
G
--
E
G
E
V
V
I
K
S
------------
D
---
I
L
L
----
K
E
Y
----------
W
N
R
P
E
A
T
R
D
--
A
--
F
-------------------
D
-------
N
G
W
F
R
------
T
-
G
D
I
G
-
E
I
-
D
D
E
G
Y
L
Y
-
I
K
D
R
L
K
D
M
I
I
S
G
G
E
N
V
Y
P
A
----
E
I
E
S
V
I
I
---
G
V
P
---
G
V
S
-
E
-
V
A
V
I
-
G
L
------------------------
P
------------------------
D
----
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-----
K
W
G
E
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A
--
A
A
I
-
V
--
V
A
----
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Q
N
--
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S
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--
Q
I
V
E
Y
C
----
G
--
T
R
L
A
R
Y
K
L
P
K
K
V
I
F
A
E
-------
A
I
P
R
N
P
T
G
K
I
L
K
T
V
L
R
E
Q
Y
-
S
A
T
V
P
--------------------------
36
HHSearch
79.47
18%
-93
* C5 *
2D1S
3
LUCI_LUCCR
A:
[24-543]
------------------
S
A
G
T
Q
L
R
K
Y
M
E
--
R
Y
A
K
L
G
A
I
A
F
T
N
A-----
V
---
T
---
G
V
D
Y
S
Y
A
E
Y
L
E
K
S
C
C
L
G
K
A
L
Q
N
Y
G
L
V
V
D
G
R
I
A
L
C
S
E
N
C
E
E
F
F
----
I
P
V
I
A
G
L
F
I
G
V
G
V
A
P
T
-
N
-
E
---
I
Y
T
-------
L
R
E
L
V
H
S
L
G
I
S
K
PT---
I
V
-
F
-
S
-
S
K
---
K
G
--
L
D
----
K
V
I
---------
T
V
Q
K
T
V
T
T
-
I
-----
K
T
I
V
I
L
D
S
K
-
V
D
-
Y
----
R
G
Y
Q
C
L
---
D
T
F
I
---
K
R
N
TPPG
F
QAS
S
-
F
K
T
-
V
--
E
V
--
D
R
K
--
E
Q
V
---
A
L
I
M
N
S
S
G
S
T
G
L
P
K
G
V
Q
L
T
H
E
N
I
V
T
R
F
S
-
H
A
R
-
D
PIY
G
N
Q
----
V
S
P
G
T
A
V
L
T
V
V
P
F
H
H
G
F
G
M
F
T
-
T
L
G
--
Y
L
I
C
G
F
R
V
V
M
L
T
K
F
----
D
E
E
T
F
L
K
T
L
Q
----
D
Y
-
K
C
T
---
S
V
I
L
V
P
T
L
F
A
I
L
N
K
S
E
L
--------
L
N
K
---
Y
D
L
S
N
L
V
E
I
A
S
G
G
A
P
L
S
K
E
V
G
E
A
V
A
R
R
F
N
L
-----
P
G
-
V
R
Q
G
Y
G
L
T
E
T
--
T
S
A
I
I
I
T
P
E
--------------
G
----------------------------------------------------------------------------------------------
D
D
K
P
G
A
S
G
K
V
-
V
-----
P
--
L
F
K
A
K
V
------
I
D
L
-----
D
T
K
K
S
L
G
-
P
N
-------
R
--
R
G
E
V
C
V
K
G
------------
P
--
M
L
-
M
----
K
G
Y
----------
V
N
N
P
E
A
--
T
K
E
L
--
I
-------------------
D
------
E
E
G
W
L
H
------
T
-
G
D
I
G
Y
Y
D
E
E
K
H
--
F
F
-
I
V
D
R
L
K
S
L
I
K
Y
K
G
Y
Q
V
P
P
A
----
E
L
E
S
V
L
L
---
Q
H
P
-
S
I
F
D
A
----
G
V
A
-
G
V
------------------------
P
DPVA
G
-------------------
E
----
L
-----
P
G
A
V
V
V
--
L
E
S
G
K
N
-
M
T
----
E
K
E
--
V
-
M
D
Y
V
A
S
Q
V
S
N
A
K
-------
R
L
R
G
G
V
R
F
--
V
----
D
-------
E
V
P
K
G
L
T
G
K
I
D
G
R
A
I
R
E
I
L
K
K
------------------------------
42
HHSearch
79.23
17%
-101
- C5 -
4WV3
1
?
A:
[12-518]
-------------------
A
V
D
I
L
E
R
N
L
P
--
V
R
A
N
K
T
A
L
F
T
P
D
---------------
R
E
M
T
F
R
Q
V
S
N
E
A
N
Q
V
G
N
A
L
K
G
L
G
V
R
F
G
E
C
V
G
L
L
T
L
D
S
A
E
W
V
----
T
S
F
F
G
I
V
K
L
G
A
I
A
V
G
I
-
N
-
T
---
L
L
K
-------
P
P
E
Y
E
Y
I
L
R
D
C
R
AR---
V
L
-
I
-
V
-
H
Q
---
E
F
--
L
P
----
L
I
E
---------
S
I
R
G
N
L
-
P
M
L
-----
E
H
I
V
V
I
G
------------
G
Y
L
S
F
---
N
D
W
I
---
R
------
P
Q--
P
T
T
L
E
-
A
--
A
Q
--
S
H
R
--
E
D
I
---
C
S
L
N
Y
S
S
G
-
T
G
G
P
K
G
I
P
H
A
H
K
D
Y
P
L
T
A
Q
L
W
G
V
-
N
---
V
L
G
----
L
R
E
S
D
R
T
F
A
L
A
K
L
F
F
T
F
G
T
G
G
N
L
I
F
--
P
W
Y
V
G
A
S
C
V
L
F
P
G
A
A
--
R
V
A
S
N
V
L
S
T
I
S
----
R
F
-
K
P
T
---
I
F
Y
N
A
P
T
G
Y
A
A
A
L
A
L
K
D
--------
F
S
Q
---
H
D
L
S
S
L
R
L
C
V
S
A
S
E
A
L
P
A
A
L
W
Y
A
W
K
E
A
T
------
G
V
D
-
I
I
D
G
I
G
C
T
E
N
--
F
H
I
F
I
S
N
R
P
--------------
G
----------------------------------------------------------------------------------------------
D
I
R
P
G
S
S
G
K
P
-
V
-----
E
--
G
Y
E
L
K
L
------
V
D
D
-----
E
GKTVP--
A
G
-------
E
--
I
G
N
V
L
L
R
S
------------
E
--
T
A
-
A
----
L
S
Y
----------
W
H
N
F
E
K
--
S
R
-
Q
--
T
-------------------
F
------
Q
G
E
W
L
A
------
T
-
G
D
K
Y
F
V
D
A
D
G
Y
--
Y
W
-
H
A
G
R
S
D
D
M
L
K
V
G
G
I
W
V
S
P
V
----
E
V
E
S
T
L
I
---
Q
H
P
-
A
V
Q
E
C
----
A
V
I
-
G
C
------------------------
P
DQSRL-------------------
I
----
K
-----
P
K
A
F
I
I
--
L
K
P
E
Q
--
I
P
----
S
E
A
--
L
-
I
R
Q
I
T
D
H
C
T
E
K
M
----
A
AY
K
R
P
R
W
I
E
F
--
V
----
T
-------
E
L
P
K
T
A
T
G
K
I
Q
R
F
K
L
R
S
A
A
K
L
------------------------------
31
HHSearch
79.07
18%
-92
- C5 -
5IFI
7
?
A:
[121-679]
---------------------
N
C
L
D
R
H
Y
Y
--
K
N
P
K
K
T
A
I
I
Y
E
A
------
D
EPS
E
---
S
R
E
V
S
Y
E
E
L
M
Q
E
T
C
R
V
A
N
V
L
K
S
Y
G
V
K
K
G
D
A
V
S
I
Y
L
P
M
T
W
Q
A
A
----
A
A
F
L
A
C
A
R
I
G
A
I
H
S
A
V
-
F
-
A
---
G
F
S
-------
A
E
S
L
R
D
R
V
N
D
C
E
CK---
V
L
-
I
-
T
-
T
D
---
E
G
--
R
R
----
G
G
K
TIA
T
K
Q
I
V
D
A
A
L
Q
Q
C
-
P
L
V
-----
E
N
V
L
V
L
R
R
T
-
G
N
K
V
P
M
T
E
G
R
D
K
W
W
---
D
E
E
C
---
A
K
M----
P
---
A
-
Y
C
P
-
C
--
E
R
--
M
A
S
--
E
D
P
---
L
F
I
L
Y
T
S
----
K
P
K
G
V
V
H
S
T
A
G
Y
L
L
G
T
A
L
T
L
K
-
Y
---
V
F
D
----
A
H
P
D
D
R
F
A
C
M
A
D
I
G
W
I
T
G
H
S
Y
I
I
Y
G
--
P
L
A
N
G
I
T
T
A
V
F
E
S
T
P
V
Y
P
T
P
S
R
Y
W
D
F
V
D
----
K
W
-
K
A
T
---
Q
L
Y
T
A
P
T
A
I
R
L
L
R
R
M
G
E
D
H
------
V
K
N
---
H
D
L
S
S
L
R
V
L
G
S
V
G
E
P
I
N
P
E
A
W
H
W
Y
N
D
F
A
G
K
---
N
Q
C
A
-
I
V
D
T
Y
W
M
T
E
T
--
G
S
I
S
I
A
P
L
P
--------------
G
A
-------------------------------------------------------------------------
I
-------------------
S
T
K
P
G
S
A
T
F
P
-
F
-----
F
--
G
M
D
V
D
I
------
I
D
P
-----
Q
TG
Q
V
L
E
G
N
D
-------
V
--
E
G
V
L
V
A
R
R
------------
P
WP
S
I
-
A
----
R
T
V
----------
Y
R
D
H
K
R
--
Y
L
E
T
--
Y
MK-----------------
P
------
Y
P
G
Y
F
F
------
F
-
G
D
G
A
A
R
D
Y
D
G
Y
--
M
W
-
I
K
G
R
V
D
D
V
I
N
V
S
G
H
R
L
S
T
A
----
E
V
E
S
A
L
I
---
L
H
K
-
G
V
A
E
T
----
A
V
V
-
G
C
------------------------
A
D
DLTG-------------------
Q
----
A
-----
V
Y
A
F
V
T
--
M
K
P
E
F
--
D
L
KATK
E
A
D
--
L
-
S
K
E
L
A
I
Q
V
R
K
V
I
----
G
PF
A
A
P
K
K
I
Y
--
L
V
----
S
-------
D
L
P
K
T
R
S
G
K
I
M
R
R
V
L
R
K
I
V
A
G
------------------------------
12
PsiBlast_PDB
78.47
25%
-104
- C5 -
3VNQ
1
?
A:
[41-445]
-------------------------
F
R
E
V
--
A
A
T
A
P
E
R
T
A
L
S
A
------
E
---
D
---
D
R
-
I
S
Y
G
R
L
D
A
W
S
D
A
V
A
R
T
L
L
A
E
G
V
R
P
G
D
R
V
A
L
R
M
S
P
G
A
E
A
I
----
V
A
I
L
A
I
L
K
C
G
A
A
Y
V
P
V
-
D
-
L
---
R
N
P
V
S
R
S
D
F
I
L
A
D
S
G
-----
A
S
-----
A
L
-
I
-
G
E
P
H
---
E
G
--
C
A
----
V
----------------
T
-
R
-
V
-----
V
R
T
A
A
V
A
E
C
-
K
D
-
A
E
------------
A
--------------------------
P
G
--
P
G
A
--
E
D
M
---
A
Y
V
I
Y
T
S
G
T
T
G
N
P
K
G
V
P
V
R
H
A
N
V
L
A
L
L
A
-
G
A
P
-
S
---
V
F
D
----
F
S
G
D
D
---
R
W
L
-
L
F
H
S
L
S
F
D
F
S
V
W
E
I
W
G
A
F
S
T
G
A
E
L
V
V
L
P
H
W
A
A
R
T
P
E
Q
Y
L
A
V
I
I
----
D
R
-
G
V
T
---
V
I
N
Q
T
P
T
A
F
L
A
L
T
E
A
A
V
R
G
G
R
---
D
V
S
G
--------
L
R
Y
V
I
F
G
G
E
K
L
T
A
P
M
L
R
P
W
A
K
A
F
---
G
L
D
R
P
R
-
L
V
N
G
Y
G
I
T
E
T
--
T
V
F
T
T
F
E
E
----------------------
I
T
-------------------
E
-------------
A
-----------
Y
--------------------
L
-------------------
A
Q
D
A
S
I
I
G
R
A
-
L
-----
P
--
S
F
G
T
R
V
VGDDGR
D
V
A
-----
P
-------
G
--------
E
--
T
G
E
L
W
L
S
G
------------
A
--
Q
L
-
A
----
E
G
Y
----------
L
R
R
P
E
L
--
T
--
A
------------------------------
E
K
F
P
E
------
V
---------------
V
-
R
Y
Y
R
T
G
D
L
V
S
E
L
P
D
G
R
F
A
Y
E
G
R
A
D
L
Q
I
K
L
R
---
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
78.15
25%
-105
- C5 -
3VNS
2
?
A:
[41-445]
-------------------------
F
R
E
V
--
A
A
T
A
P
E
R
T
A
L
S
A
------
E
---
D
---
D
R
-
I
S
Y
G
R
L
D
A
W
S
D
A
V
A
R
T
L
L
A
E
G
V
R
P
G
D
R
V
A
L
R
M
S
P
G
A
E
A
I
----
V
A
I
L
A
I
L
K
C
G
A
A
Y
V
P
V
-
D
-
L
---
R
N
P
V
S
R
S
D
F
I
L
A
D
S
G
-----
A
S
-----
A
L
-
I
-
G
E
P
H
---
E
G
--
C
A
----
V
----------------
T
-
R
-
V
-----
V
R
T
A
A
V
A
E
C
-
K
D
-
A
E
---
P
--------
A
--------------------------
P
G
--
P
G
A
--
E
D
M
---
A
Y
V
I
Y
T
S
G
-
T
G
N
P
K
G
V
P
V
R
H
A
N
V
L
A
L
L
A
-
G
A
P
-
S
---
V
F
D
----
F
S
G
D
D
---
R
W
L
-
L
F
H
S
L
S
F
D
F
S
V
W
E
I
W
G
A
F
S
T
G
A
E
L
V
V
L
P
H
W
A
A
R
T
P
E
Q
Y
L
A
V
I
I
----
D
R
-
G
V
T
---
V
I
N
Q
T
P
T
A
F
L
A
L
T
E
A
A
V
R
G
G
R
---
D
V
S
G
--------
L
R
Y
V
I
F
G
G
E
K
L
T
A
P
M
L
R
P
W
A
K
A
F
---
G
L
D
R
P
R
-
L
V
N
G
Y
G
I
T
E
T
--
T
V
F
T
T
F
E
E
----------------------
I
T
-------------------
E
-------------
A
-----------
Y
--------------------
L
-------------------
A
Q
D
A
S
I
I
G
R
A
-
L
-----
P
--
S
F
G
T
R
V
VGDDGR
D
V
A
-----
P
-------
G
--------
E
--
T
G
E
L
W
L
S
G
------------
A
--
Q
L
-
A
----
E
G
Y
----------
L
R
R
P
E
L
--
T
--
A
------------------------------
E
K
F
P
E
------
V
---------------
V
-
R
Y
Y
R
T
G
D
L
V
S
E
L
P
D
G
R
F
A
Y
E
G
RA
D
L
Q
I
K
L
R
---
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
77.88
21%
-85
- C5 -
3NI2
4
?
A:
[30-531]
--------------------------
E
N
L
--
S
N
H
S
S
K
P
C
L
I
N
G
------
A
---
N
---
G
D
V
Y
T
Y
A
D
V
E
L
T
A
R
R
V
A
S
G
L
N
K
I
G
I
Q
Q
G
D
V
I
M
L
F
L
P
S
S
P
E
F
V
----
L
A
F
L
G
A
S
H
R
G
A
I
--------------
I
T
A
A
N
P
F
S
T
P
-
A
E
L
A
K
H
A
K
A
S
RAK
L
L
-
I
-
T
Q
A
C
---
Y
Y
--
E
K
----
V
K
D
F
--------
A
R
E
S
D
V
-
K
-
V
-----
M
C
V
D
S
-
A
P
D
-
G
C
-
L
H
---
F
S
E
L
T
Q
------
A
---
D
------
E
---
N
-
E
A
P
-
Q
--
V
D
--
I
S
P
--
D
D
V
---
V
A
L
P
Y
S
S
G
T
T
G
L
P
K
G
V
M
L
T
H
K
G
L
I
T
S
V
A
-
Q
Q
V
-
D
---
G
D
N
PN
L
Y
F
H
S
E
D
V
I
L
C
V
L
P
M
F
H
I
Y
A
L
N
S
I
M
L
C
--
G
L
-
R
V
G
A
P
I
L
I
M
P
K
F
E
I
G
S
L
L
G
L
I
E
K
Y
K
----
V
S
-
I
A
-----
P
V
V
P
P
V
M
M
S
I
------
A
K
S
P
---
D
L
D
K
---
H
D
L
S
S
L
R
M
I
K
S
G
G
A
P
L
G
K
E
L
E
D
T
V
R
A
K
F
------
P
Q
A
R
L
G
Q
G
Y
G
M
T
E
A
GP
V
L
A
M
C
L
A
F
A
--------------
K
E
P
F
---
D
I
-------------------
K
-------------
P
-----------
G
--------------------
A
-------------------
C
G
T
V
V
R
N
A
--------------
E
M
K
I
V
-----
D
P
E
-----
T
-------
G
A
S
L
P
R
N--
Q
--
P
G
E
I
C
I
R
G
------------
D
--
Q
I
-
M
----
K
G
Y
----------
L
N
D
P
E
A
--
T
--
S
R
T
I
-------------------
D
------
K
E
G
W
L
H
------
T
G
D
I
G
Y
I
D
D
-
D
D
E
--
L
F
-
I
V
D
R
L
K
E
L
I
K
Y
K
G
F
Q
V
A
P
A
----
E
L
E
A
L
L
I
---
A
H
P
-
E
--
I
S
-
D
-
A
A
V
V
-
G
L
------------------------
K
------------------------
D
----
E
-----
D
A
G
--
E
--
V
P
V
A
F
--
V
V
----
K
S
E
--
K
-
S
Q
A
T
E
D
E
I
K
Q
Y
I
----
S
--
K
Q
V
I
F
Y
K
R
I
K
R
V
F
F
I
E
-------
A
I
P
K
A
P
S
G
K
I
L
R
K
N
L
K
E
----------------------------------
19
PsiBlast_PDB
77.04
21%
-85
- C5 -
3A9V
1
?
A:
[30-531]
--------------------------
E
N
L
--
S
N
H
S
S
K
P
C
L
I
N
G
------
A
---
N
---
G
D
V
Y
T
Y
A
D
V
E
L
T
A
R
R
V
A
S
G
L
N
K
I
G
I
Q
Q
G
D
V
I
M
L
F
L
P
S
S
P
E
F
V
----
L
A
F
L
G
A
S
H
R
G
A
I
--------------
I
T
A
A
N
P
F
S
T
P
-
A
E
L
A
K
H
A
K
A
S
RAK
L
L
-
I
-
T
Q
A
C
---
Y
Y
--
E
K
----
V
K
D
F
--------
A
R
E
S
D
V
-
K
-
V
-----
M
C
V
D
S
-
A
P
D
-
G
C
-
L
H
---
F
S
E
L
T
Q
------
A
---
D
------
E
---
N
-
E
A
P
-
Q
--
V
D
--
I
S
P
--
D
D
V
---
V
A
L
P
Y
S
S
G
T
T
G
L
P
K
G
V
M
L
T
H
K
G
L
I
T
S
V
A
-
Q
Q
V
-
D
---
G
D
N
PN
L
Y
F
H
S
E
D
V
I
L
C
V
L
P
M
F
H
I
Y
A
L
N
S
I
M
L
C
--
G
L
-
R
V
G
A
P
I
L
I
M
P
K
F
E
I
G
S
L
L
G
L
I
E
K
Y
K
----
V
S
-
I
A
-----
P
V
V
P
P
V
M
M
S
I
------
A
K
S
P
---
D
L
D
K
---
H
D
L
S
S
L
R
M
I
K
S
G
G
A
P
L
G
K
E
L
E
D
T
V
R
A
K
F
------
P
Q
A
R
L
G
Q
G
Y
G
M
T
E
A
GP
V
L
A
M
C
L
A
F
A
--------------
K
E
P
F
---
D
I
-------------------
K
-------------
P
-----------
G
--------------------
A
-------------------
C
G
T
V
V
R
N
A
--------------
E
M
K
I
V
-----
D
P
E
-----
T
-------
G
A
S
L
P
R
N--
Q
--
P
G
E
I
C
I
R
G
------------
D
--
Q
I
-
M
----
K
G
Y
----------
L
N
D
P
E
A
--
T
--
S
R
T
I
-------------------
D
------
K
E
G
W
L
H
------
T
G
D
I
G
Y
I
D
D
-
D
D
E
--
L
F
-
I
V
D
R
L
K
E
L
I
K
Y
K
G
F
Q
V
A
P
A
----
E
L
E
A
L
L
I
---
A
H
P
-
E
--
I
S
-
D
-
A
A
V
V
-
G
L
------------------------
K
------------------------
D
----
E
-----
D
A
G
--
E
--
V
P
V
A
F
--
V
V
----
K
S
E
--
K
-
S
Q
A
T
E
D
E
I
K
Q
Y
I
----
S
--
K
Q
V
I
F
Y
K
R
I
K
R
V
F
F
I
E
-------
A
I
P
K
A
P
S
G
K
I
L
R
K
N
L
K
E
----------------------------------
43
HHSearch
76.83
20%
-97
- C5 -
2VSQ
2
A:
[468-976]
---------------------
Y
W
F
K
E
A
V
N
--
A
N
P
D
A
P
A
L
T
Y
S
G
---------------
Q
T
L
S
Y
R
E
L
D
E
E
A
N
R
I
A
R
R
L
Q
K
H
G
A
G
K
G
S
V
V
A
L
Y
T
K
R
S
L
E
L
V
----
I
G
I
L
G
V
L
K
A
G
A
A
Y
L
P
V
-
D
-
P
---
K
L
P
-------
E
D
R
I
S
Y
M
L
A
D
S
A
AA---
C
L
-
L
-
T
-
H
Q
---
E
M
--
K
E
----
Q
A
A
---------
E
L
P
Y
T
G
-
T
---------------------------
T
L
F
I
---
D
D
Q
T
RFE
E
------
Q
---
A
-
S
D
P
-
A
--
T
A
--
I
D
P
--
N
D
P
---
A
Y
I
M
Y
T
S
G
T
T
G
K
P
K
G
N
I
T
T
H
A
N
I
Q
G
L
V
K
-
H
V
--
D
---
Y
M
A
----
F
S
D
Q
D
T
F
L
S
V
S
N
Y
A
F
D
A
F
T
F
D
-
F
Y
A
--
S
M
L
N
A
A
R
L
I
I
A
D
E
H
T
-
L
L
D
T
E
R
L
T
D
L
I
L
----
Q
E
-
N
V
N
---
V
M
F
A
T
T
A
L
F
N
L
L
T
D
A
G
-----------
E
---
D
W
M
K
G
L
R
C
I
L
F
G
G
E
R
A
S
V
P
H
V
R
K
A
L
R
I
M
G
-----
P
G
K
-
L
I
N
C
Y
G
P
T
E
G
--
T
V
F
A
T
A
H
V
V
--------------
H
D
L
---------------------------------------------------
P
--------------------
D
-------------------
S
I
S
S
L
P
I
G
K
P
-
I
-----
S
--
N
A
S
V
Y
I
------
L
N
E
-----
Q
SQLQP--
F
G
-------
A
--
V
G
E
L
C
I
S
G
------------
M
--
G
V
-
S
----
K
G
Y
----------
V
N
R
A
D
L
--
T
K
E
K
--
F
-------------------
I
ENPFKP
G
E
T
L
Y
R
------
T
-
G
D
L
A
R
W
L
P
D
G
T
--
I
E
-
Y
A
G
R
I
D
D
Q
V
K
I
R
G
H
R
I
E
L
E
----
E
I
E
K
Q
L
Q
---
E
Y
P
-
G
V
K
D
A
-
V
-
V
V
A
D
-
R
H
------------------------
E
SGD---------------------
A
----
S
-----
I
N
A
Y
L
V
--
N
R
T
Q
---
L
S
----
A
E
D
--
V
-
K
A
H
L
K
K
Q
L
P
A
Y
--------
M
V
P
Q
T
F
T
--
F
L
----
D
-------
E
L
P
L
T
T
N
G
K
V
N
K
R
L
L
P
K
P
D
Q
-------------------------------