@TOME V3
(Feb 2022)
Ref.
-
-
Doc.
Global output mode :
Sort entries by :
Atome Result
Tools Result
PDB occurence
3D Alignment Cluster
Sequence Color type :
Secondary Structure
Hydrophobicity
Disulfide Bonds
TCoffee Identity Score
Uniprot annotation
3D Alignment 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 Score
Hide column
Modeller Result :
Model Rank
QMean Score
Dfire Score
Dope Score
Errat Score
Verify3D Score
Modeller Score
Hide column
Complexes Modeling
PDB Ligands
Affinity Score
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:
Sequence Alignment
Tab of Complexes
Values color: [
Good
|
Correct
|
Middling
|
Bad
]
Sequence color :
Mutated
Helix
Strand
Conserved
Query sequence : F8KWK6_PARAV: (2019-01-28 )
MEAYFLQGILLMKKTLIALLSLLFSVDTLISASIIDPDVYTILEQSFPSIPKEQWMIQVLKGGLSGTALYKIETPTQQYVLRLHQSTQLSSQDEREHFALIEAAKLGIAPHVAYVSSDNRAILMEFVNHKTLTLEKAKLPENIVKIACAIRKAHEIVGHPHVGESLLSNAHRCHEKVLKDGLGTEENINGALELIKRYREQLSAYACPQVNVHGDLNPRNIFLTDDNGVLLIDWAESSLEDPFYDLTYFALKHDYDEVQEALLLKTYLQRQPTVEETSRFTLQKKIHQAFWSLTNLYLADVQLRKHPQQKIDPQASLKSWSTYQKTYADSMEELPAQYFYELSRLNYQLAL
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-
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
---M
E
A
Y
F
L
Q
G
I
L
L
M
K
K
T
L
I
A
L
L
S
L
L
F
S
V
D
-
T
L
I
S
A
SIID
P
D
V
Y
T
I
L
E
Q
SFP----S-I--
P
K
---
E
Q
W
M
I
Q
V
L
KGGLSG
T
A
L
Y
K
I--------E---------T
P
---------
T
----------
Q
Q
Y
V
L
R
L
H
-QSTQ--L-S
S
Q
D
E
R
E
H
F
A
L
I
-
E
A
A
KLGIAP
H
V
A
Y
VSSD
N
R
A
I
L
M
E
F
VNHK-
T
L
T
L
E
K
AK-L-
P
E
N
I
V
K
I
A
C
A
I
R
K
A
H
E
I-VG-H--------PHV
G
--------------
E
-------
S
-
L
L
S
N
--------------
A
H
R
C
H
E
K
V
L
K
------------DG-----------L-------------G-T--E---E---------NI
N
G
----
A
L
E
L
I
K
R
Y
R
-------------
E
Q
L
S
A
YACP
Q
V
N
V
HGDLNP
R
N
I
F
L
TD--D------N
G
--
V
L
L
I
DWAESSLEDP
F
Y
D
L
T
Y
F
A
L
K------H---------
D
Y
------------------
D
E
V
Q
E
A
L
L
L
K
T
Y
L
QRQP--------------
T
----------
V
E
E
T
S
R
F
T
L
Q
K
K
I
H
Q
A
F
W
S
L
T
N
L
Y
L
A
D
V
Q
--
L
RKH
P
Q
QKID
P
Q
A
SLK
S
W
S
T
Y
Q
K
T
Y
A
D
---
S
M
E
E
L
P
A
Q
Y
F
Y
E
L
S
R
L
N
Y
Q
LAL--
70
HHSearch
82.36
19%
-12
- C5 -
-
5FTG
11
CHKA_HUMAN
A:
[6-373]
------------------------------------
P
R
T
R
R
R
A
Y
L
W
C
K
E
F
L
P
----
G
A
W
--
R
G
LRE
D
E
F
H
I
S
V
I
R
G
G
L
S
N
-
M
L
F
Q
C
--------
S
---------
L
P
---------
D
TTATLGDEP-
R
K
V
L
L
R
L
Y
-
G
--------
E
A
M
V
L
E
S
V
M
F
A
-
I
L
A
E
R
S
L
G
P
K
L
Y
G
I
F
P
Q
--
G
R
L
E
Q
F
I
P
S
R
-
R
L
D
T
E
E
L
S
-
L
-
P
D
I
S
A
E
I
A
E
K
M
A
T
F
H
G
M
-
K
M
-
P
--------
F
N
K
E
--------------
P
K------
W
-
L
F
G
T
--------------
M
E
K
Y
L
K
E
V
L
R
------------
I
K
-----------
F
TE
E
S
R
I
K
K
-----
L
-
H
--
K
L
L
S
Y
---------
N
L
P
L
-------
E
L
E
N
L
R
-------------
S
L
L
E
S
T
P
S
P
V
V
F
C
H
N
D
C
Q
E
G
N
I
L
L
L
E
--
G
RENSEK
Q
K
--
L
M
L
I
D
F
E
Y
S
S
Y
N
Y
R
G
F
D
I
G
N
H
F
C
E
------
W
---------
M
Y
DYSYEKYPF
F
R
A
N
IRKYP
T
K
K
Q
Q
L
H
F
I
S
S
Y
L
P
A
F
Q
NDFENLS
T
E
E
K
S
I
I
K
----------
E
E
M
L
L
E
V
N
R
F
A
L
A
S
H
F
L
W
G
L
W
S
I
V
Q
A
K
I
S
--
S
---
I
E
--
F
G
-------
Y
M
D
Y
A
Q
A
R
F
D
---
A
Y
F
H
Q
K
------------------
69
HHSearch
79.07
19%
15
- C5 -
-
5FUT
10
CHKA_HUMAN
A:
[6-373]
------------------------------------
P
R
T
R
R
R
A
Y
L
W
C
K
E
F
L
P
----
G
A
W
--
R
G
LRE
D
E
F
H
I
S
V
I
R
G
G
L
S
N
-
M
L
F
Q
C
--------
S
---------
L
P
---------
D
TTATLGDEP-
R
K
V
L
L
R
L
Y
-
G
------G
A
E
A
M
V
L
E
S
V
M
F
A
-
I
L
A
E
R
S
L
G
P
K
L
Y
G
I
F
P
Q
--
G
R
L
E
Q
F
I
P
S
R
-
R
L
D
T
E
E
L
S
-
L
-
P
D
I
S
A
E
I
A
E
K
M
A
T
F
H
G
M
-
K
M
-
P
--------
F
N
K
E
--------------
P
K------
W
-
L
F
G
T
--------------
M
E
K
Y
L
K
E
V
L
R
------------
I
K
-----------
F
TE
E
S
R
I
K
K
-----
L
-
H
--
K
L
L
S
Y
---------
N
L
P
L
-------
E
L
E
N
L
R
-------------
S
L
L
E
S
T
P
S
P
V
V
F
C
H
N
D
C
Q
E
G
N
I
L
L
L
E
--
G
RENSEK
Q
K
--
L
M
L
I
D
F
E
Y
S
S
Y
N
Y
R
G
F
D
I
G
N
H
F
C
E
------
W
---------
M
Y
DYSYEKYPF
F
R
A
N
IRKYP
T
K
K
Q
Q
L
H
F
I
S
S
Y
L
P
A
F
Q
NDFENLS
T
E
E
K
S
I
I
K
----------
E
E
M
L
L
E
V
N
R
F
A
L
A
S
H
F
L
W
G
L
W
S
I
V
Q
A
K
I
S
--
S
---
I
E
--
F
G
-------
Y
M
D
Y
A
Q
A
R
F
D
---
A
Y
F
H
Q
K
------------------
60
HHSearch
72.31
17%
2
- C5 -
-
1NW1
-
CKA2_CAEEL
A:
[33-421]
------------------
M
K
E
L
L
S
T
M
D
L
D
T
-
D
A
N
T
I
P
E
L
K
E
R
A
H
M
L
C
A
R
F
L
G
----
G
A
W
--
K
T
VPL
E
H
L
R
I
S
R
I
K
G
G
M
S
N
-
M
L
F
L
C
--------
R
---------
L
S
EVYPPIRNE
P
----------
N
K
V
L
L
R
V
Y
-
F
N
P
E
--
T
-
E
S
H
L
V
A
E
S
V
I
F
T
-
L
L
S
E
R
H
L
G
P
K
L
Y
G
I
F
S
--
G
G
R
L
E
E
Y
I
P
S
R
-
P
L
S
C
H
E
I
S
-
L
-
A
H
M
S
T
K
I
A
K
R
V
A
K
V
H
Q
L
-
E
V
-
P
--------
I
W
K
E
--------------
P
-------
D
Y
L
C
E
A
--------------
L
Q
R
W
L
K
Q
L
T
G
------------
T
V
-----------
D
AE
H
R
F
D
-------
L
-
P
--
E
---
E
CGVSSVN
C
L
D
L
A
R
-------
E
L
E
F
L
R
-------------
A
H
I
S
L
S
K
S
P
V
T
F
C
H
N
D
L
Q
E
G
N
I
L
L
P
K
----------
R
--
L
V
L
I
D
F
E
Y
A
S
Y
N
Y
R
A
F
D
F
A
N
H
F
I
E
------
W
---------
T
I
DYDIDEAPF
Y
K
I
Q
TENFP
E
N
D
Q
M
L
E
F
F
L
N
Y
L
R
E
Q
G
--------------
N
TRENE
L
Y
K
K
S
E
D
L
V
Q
E
T
L
P
F
V
P
V
S
H
F
F
W
G
V
W
G
L
L
Q
V
E
L
S
--
P
---
V
G
--
F
G
-------
F
A
D
Y
G
R
D
R
L
S
---
L
Y
F
K
H
K
Q
L
----------------
44
Fugue
72.06
15%
-27
- C5 -
-
2PPQ
-
KHSE_AGRFC
A:
[5-320]
-----------
T
D
I
T
E
D
E
L
R
N
F
L
T
Q
-
Y
D
V
G
-
S
L
T
S
Y
K
G
I
A
E
---------------------------------------
N
S
N
F
L
L
--------
H
---------
T
T
---------
K
----------
D
P
L
I
L
T
L
Y
-
E
K
--------
K
N
D
L
P
F
F
L
G
L
M
Q
H
L
A
A
K
G
L
S
C
P
L
P
L
P
R
K
D
G
E
L
L
G
E
L
S
G
R
P
-
A
A
L
I
S
F
L
E
-
G
M
W
L
R
K
P
E
A
K
H
C
R
E
V
G
K
A
L
-
A
A
M
H
L
A
S
EGFE
I
K
R
P
N
--------------
A
-------
L
-
S
V
D
G
--------------
W
K
V
L
W
D
K
S
E
E
------------
R
A
-----------
D
-------------
E
-
V
--
E
---
K
---------
G
L
R
E
----
E
I
R
P
E
I
D
Y
L
-------------
A
A
H
W
P
K
D
L
P
A
G
V
I
H
A
D
L
F
Q
D
N
V
F
F
L
G
--
D
------
E
L
--
S
G
L
I
D
F
Y
F
A
C
N
D
L
L
A
Y
D
V
S
I
C
L
N
A
WCFEKD
G
---------
A
Y
------------------
N
V
T
K
G
K
A
L
L
E
G
Y
Q
S
V
R
P
L
-------------
S
----------
E
A
E
L
E
A
L
P
L
L
S
R
G
S
A
L
R
F
F
L
T
R
L
Y
D
W
L
T
T
--
P
A
G
A
L
V
V
K
K
D
P
L
E
Y
L
R
K
L
R
F
H
R
T
I
A
N
V
---
A
E
Y
G
L
A
------------------
50
SP3
71.32
14%
-6
- C5 -
-
1NW1
-
CKA2_CAEEL
A:
[32-426]
-----------------
G
M
K
E
L
L
S
T
M
D
L
D
T
-
D
A
N
T
I
P
E
L
K
E
R
A
H
M
L
C
A
R
F
L
G
GAWK
T
-
V
--
P
L
---
E
H
L
R
I
S
R
I
K
G
G
M
S
N
M
L
F
L
C
R
L
S
EVYPPI
R
---------
N
E
---------
P
----------
N
K
V
L
L
R
V
Y
-
F
N
P
E
--
T
-
E
S
H
L
V
A
E
S
V
I
F
T
-
L
L
S
E
R
H
L
G
P
K
L
Y
G
I
F
S
G
--
G
R
L
E
E
Y
I
P
S
R
-
P
L
S
C
H
E
I
S
-
L
-
A
H
M
S
T
K
I
A
K
R
V
A
K
V
H
Q
L
-
E
V
-
P
--------
I
W
K
E
--------------
P
-------
D
-
Y
L
C
E
--------------
A
L
Q
R
W
L
K
Q
L
T
------------
G
T
-----------
V
DAE
H
R
F
D
L
PEECG
V
-
S
--
S
---
V
---------
N
C
L
D
----
L
A
R
E
L
E
F
L
R
-------------
A
H
I
S
L
S
K
S
P
V
T
F
C
H
N
D
L
Q
E
G
N
I
L
L
P
----------
K
R
--
L
V
L
I
D
F
E
Y
A
S
Y
N
Y
R
A
F
D
F
A
N
H
F
I
E
------
W
---------
T
I
DYDIDEAPF
Y
K
I
Q
TENFP
E
N
D
Q
M
L
E
F
F
L
N
Y
L
R
E
Q
G
--------------
N
TRENE
L
Y
K
K
S
E
D
L
V
Q
E
T
L
P
F
V
P
V
S
H
F
F
W
G
V
W
G
L
L
Q
V
E
L
S
--
P
V
G
F
G
F
A
D
Y
G
R
D
R
L
S
L
Y
F
K
H
K
Q
L
L
K
N
L
---
A
-----------------------
59
HHSearch
71.23
17%
6
- C5 -
-
1NW1
-
CKA2_CAEEL
B:
[40-421]
-------------------------
M
D
L
D
T
-
D
A
N
T
I
P
E
L
K
E
R
A
H
M
L
C
A
R
F
L
G
----
G
A
W
--
K
T
VPL
E
H
L
R
I
S
R
I
K
G
G
M
S
N
-
M
L
F
L
C
--------
R
---------
L
S
EVYPPIRNE
P
----------
N
K
V
L
L
R
V
Y
-
F
N
P
E
--
T
-
E
S
H
L
V
A
E
S
V
I
F
T
-
L
L
S
E
R
H
L
G
P
K
L
Y
G
I
F
S
--
G
G
R
L
E
E
Y
I
P
S
R
-
P
L
S
C
H
E
I
S
-
L
-
A
H
M
S
T
K
I
A
K
R
V
A
K
V
H
Q
L
-
E
V
-
P
--------
I
W
K
E
--------------
P
-------
D
Y
L
C
E
A
--------------
L
Q
R
W
L
K
Q
L
T
G
------------
T
V
-----------
D
AE
H
R
F
D
-------
L
-
P
--
E
---
E
CGVSSVN
C
L
D
L
A
R
-------
E
L
E
F
L
R
-------------
A
H
I
S
L
S
K
S
P
V
T
F
C
H
N
D
L
Q
E
G
N
I
L
L
P
K
----------
R
--
L
V
L
I
D
F
E
Y
A
S
Y
N
Y
R
A
F
D
F
A
N
H
F
I
E
------
W
---------
T
I
DYDIDEAPF
Y
K
I
Q
TENFP
E
N
D
Q
M
L
E
F
F
L
N
Y
L
R
E
Q
G
--------------
N
TRENE
L
Y
K
K
S
E
D
L
V
Q
E
T
L
P
F
V
P
V
S
H
F
F
W
G
V
W
G
L
L
Q
V
E
L
S
--
P
---
V
G
--
F
G
-------
F
A
D
Y
G
R
D
R
L
S
---
L
Y
F
K
H
K
Q
L
----------------
67
HHSearch
70.81
20%
-6
- C5 -
-
3DXQ
-
?
B:
[4-284]
----------------------------------------
D
E
A
R
A
K
L
A
A
-
I
P
----
M
-
L
--
A
G
---
Y
T
-
G
P
L
E
R
L
G
G
L
T
N
-
L
V
F
R
A
----------------------------------------
G
D
L
C
L
R
I
P
-----------
N
R
A
N
E
A
V
A
A
R
-
E
A
A
K
A
G
V
S
P
E
V
L
H
V
D
P
A
T
G
V
M
V
T
R
Y
I
A
G
A
Q
T
M
S
P
E
K
F
K
T
R
-
P
G
S
P
A
R
A
G
E
A
F
R
K
L
H
G
S
-
G
A
-
V
--------
F
P
F
R
--------------
F
-------
E
-
L
F
A
M
--------------
I
D
D
Y
L
K
V
L
S
T
------------
K
N
-----------
V
T
------------
L
-
P
--
A
---
G
Y
H
-------
D
V
V
R
-------
E
A
G
G
V
R
-------------
S
A
L
A
A
H
P
L
P
L
A
A
C
H
C
D
P
L
C
E
N
F
L
D
T
G
---------
E
R
--
M
W
I
V
D
W
E
Y
S
G
M
N
D
P
L
W
D
L
G
D
L
S
V
E
------
G
---------
K
F
------------------
N
A
N
Q
D
E
E
L
M
R
A
Y
F
G
G
E
A
--------------
R
----------
P
A
E
R
G
R
V
V
I
Y
K
A
M
C
D
L
L
W
T
L
W
G
L
I
Q
L
A
N
D
--
N
---
P
V
--
D
D
-------
F
R
A
Y
A
D
G
R
F
A
---
R
C
K
A
L
-------------------
71
HHSearch
67.04
17%
-15
- C5 -
-
3MES
2
?
B:
[52-409]
----------------------------------------
E
I
I
I
G
I
C
R
K
N
I
P
----
G
-
W
--
K
E
INE
S
Y
I
E
V
K
Q
I
F
S
G
L
T
N
-
Q
L
F
V
V
--------
S
---------
I
V
---------
N
ELKH------
P
R
I
L
F
R
I
Y
-
G
K
H
V
----
F
Y
D
S
K
V
E
L
D
V
F
R
-
Y
L
S
N
I
N
I
A
P
N
I
I
A
D
F
P
--
E
G
R
I
E
E
F
I
D
G
E
-
P
L
T
T
K
Q
L
Q
-
L
-
T
H
I
C
V
E
V
A
K
N
M
G
S
L
H
I
I
-
N
S
-
K
--------
R
A
D
F
--------------
P
SRFDKEP
I
-
L
F
K
R
--------------
I
Y
L
W
R
E
E
A
K
I
------------
Q
V
S
K
NN-------
Q
-------------
I
D
K
--
E
L
Y
-
S
---------
K
I
L
E
----
E
I
D
Q
L
E
E
L
I
M
GGEKFS
M
E
R
A
L
E
L
K
L
Y
S
P
A
F
S
L
V
F
A
H
N
D
L
Q
E
N
N
L
L
Q
T
Q
---------
N
N
--
I
R
M
I
D
Y
E
Y
S
A
I
N
F
A
G
A
D
I
A
N
Y
F
C
E
------
Y
---------
I
Y
DYCSEKQPY
F
K
F
K
YEDYP
C
E
E
L
R
K
L
F
I
S
V
Y
L
S
Q
T
L
--------------
Q
EQVMPSQ
Q
I
V
H
I
M
T
K
A
V
E
V
F
T
L
I
S
H
I
T
W
G
L
W
S
I
A
----------
S
V
E
--
F
D
-------
F
T
E
Y
A
N
T
R
F
T
---
H
Y
L
Q
K
K
K
E
L
---------------
64
HHSearch
66.53
16%
21
- C5 -
-
3C5I
3
?
D:
[14-360]
---------------------------------------
P
L
Y
I
K
K
I
C
L
E
K
V
P
----
E
-
W
--
N
H
FTE
D
N
L
R
V
K
Q
I
L
--
L
T
N
-
Q
L
F
E
V
--------
G
---------
L
K
---------
E
E
T
A
N
N
Y
NSIR
T
R
V
L
F
R
I
Y
-
G
K
H
V
D-
E
-
L
Y
N
T
I
S
E
F
E
V
Y
K
-
T
M
S
K
Y
K
I
A
P
Q
L
L
N
T
F
N
--
G
G
R
I
E
E
W
L
Y
G
D
-
P
L
R
I
D
D
L
K
-
N
-
P
T
I
L
I
G
I
A
N
V
L
G
K
F
H
T
L
-
S
R
-
K
--------
R
H
L
P
--------------
E
HWDRTP-
C
-
I
F
K
M
--------------
M
E
K
W
K
N
Q
L
F
K
------------
Y
K
-----------
N
IEK----------
Y
-
N
--
C
---
D
I
H
-------
K
Y
I
K
E
S
D
K
F
I
K
F
M
K
V
Y
S
-------------
K
-
S
D
N
L
A
N
T
I
V
F
C
H
N
D
L
Q
E
N
N
I
I
N
T
N
---------
K
C
--
L
R
L
I
D
F
E
Y
S
G
F
N
F
L
A
T
D
I
A
N
F
F
I
E
------
T
---------
S
I
DYSVSSYPF
F
E
I
D
KKKYI
S
Y
E
N
R
K
L
F
I
T
A
Y
L
S
N
Y
L
DKVVP---------
T
P
K
L
I
------
D
E
I
L
E
A
V
E
V
Q
A
L
G
A
H
L
L
W
G
F
W
S
I
I
R
G
Y
Q
T
--
K
S
-
Y
N
E
--
F
D
-------
F
F
L
Y
A
E
Q
R
L
K
---
M
Y
D
D
Q
K
E
Y
L
I
--------------
72
HHSearch
66.30
17%
-2
- C5 -
-
3MES
3
?
A:
[52-409]
----------------------------------------
E
I
I
I
G
I
C
R
K
N
I
P
----
G
-
W
--
K
E
INE
S
Y
I
E
V
K
Q
I
F
S
G
L
T
N
-
Q
L
F
V
V
--------
S
---------
I
V
---------
N
ELKH------
P
R
I
L
F
R
I
Y
-
G
K
H
V
--
K
-
F
Y
D
S
K
V
E
L
D
V
F
R
-
Y
L
S
N
I
N
I
A
P
N
I
I
A
D
F
P
--
E
G
R
I
E
E
F
I
D
G
E
-
P
L
T
T
K
Q
L
Q
-
L
-
T
H
I
C
V
E
V
A
K
N
M
G
S
L
H
I
I
-
N
S
-
K
--------
R
A
D
F
--------------
P
SRFDKEP
I
-
L
F
K
R
--------------
I
Y
L
W
R
E
E
A
K
I
------------
Q
V
S
K
NN---------------------
I
D
K
--
E
L
Y
-
S
---------
K
I
L
E
----
E
I
D
Q
L
E
E
L
I
M
GGEKFS
M
E
R
A
L
E
L
K
L
Y
S
P
A
F
S
L
V
F
A
H
N
D
L
Q
E
N
N
L
L
Q
T
Q
---------
N
N
--
I
R
M
I
D
Y
E
Y
S
A
I
N
F
A
G
A
D
I
A
N
Y
F
C
E
------
Y
---------
I
Y
DYCSEKQPY
F
K
F
K
YEDYP
C
E
E
L
R
K
L
F
I
S
V
Y
L
S
Q
T
L
--------------
Q
EQVMPSQ
Q
I
V
H
I
M
T
K
A
V
E
V
F
T
L
I
S
H
I
T
W
G
L
W
S
I
A
-----------
V
E
--
F
D
-------
F
T
E
Y
A
N
T
R
F
T
---
H
Y
L
Q
K
K
K
E
L
---------------
37
Fugue
65.62
14%
-6
- C5 -
-
2QG7
-
?
A:
[50-458]
YPI
T
E
S
N
L
R
I
L
E
G
E
D
R
S
E
K
A
K
E
L
L
K
K
Y
V
S
N
-
V
F
E
N
E
K
T
L
Y
I
Y
C
K
Y
V
M
L
H
Y
G
K
----
D
-
L
VN
P
N
---
E
V
D
S
L
E
F
Q
I
I
N
G
T
-
N
I
L
I
K
V
--------
K
---------
D
M
---------
S
KQ--------
A
K
Y
L
I
R
L
Y
-
G
P
T
D
--
E
-
I
I
N
R
E
R
E
K
K
I
S
C
-
I
L
Y
N
K
N
I
A
K
K
I
Y
V
F
F
T
N
--
G
R
I
E
E
F
M
D
G
Y
-
A
L
S
R
E
D
I
K
-
N
-
P
K
F
Q
K
L
I
A
K
N
L
K
L
L
H
D
I
-
K
L
-
N
--------
E
N
L
Y
--------------
K
-------
E
-
L
Q
V
T
QKVPGTRPSF
L
W
N
T
I
W
K
Y
F
H
L
L
N
E
------------
E
R
K
KICSFDAKA
N
I
-------------
L
-
K
--
L
---
I
---------
D
F
D
V
----
L
R
D
S
I
V
E
V
E
-------------
S
L
C
K
R
E
N
S
P
I
V
L
C
H
C
D
L
L
S
S
N
I
I
N
T
V
--
G
------
E
G
D
S
I
S
F
I
D
F
E
Y
S
C
P
M
E
R
A
Y
D
I
A
N
H
F
N
E
------
Y
---------
A
G
------------------
F
N
C
D
W
D
L
T
P
S
--------------------------------------
K
E
E
E
Y
H
F
I
M
H
Y
L
G
T
D
D
E
E
L
I
N
Q
L
--
I
R
E
I
Q
P
F
Y
I
C
S
H
I
N
W
G
L
W
S
L
L
Q
G
M
H
S
F
---
D
F
I
N
Y
G
M
T
R
L
T
A
S
C
L
P
I
F
R
S
K
V
--
61
HHSearch
64.04
18%
14
- C5 -
-
2QG7
-
?
D:
[109-452]
------------------------------------------------------------------
D
S
L
E
F
Q
I
I
N
G
G
-
T
N
-
I
L
I
K
V
--------
K
---------
D
M
SK-------
Q
----------
A
K
Y
L
I
R
L
Y
-
G
P
K
T
D-----
N
R
E
R
E
K
K
I
S
C
-
I
L
Y
N
K
N
I
A
K
K
I
Y
V
F
F
T
N
--
G
R
I
E
E
F
M
D
G
Y
-
A
L
S
R
E
D
I
K
-
N
-
P
K
F
Q
K
L
I
A
K
N
L
K
L
L
H
D
I
-
K
L
-
N
--------
E
N
L
Y
K
E
L
Q
V
T
Q
K
V
P
G
T
R
P
S
-------
F
-
L
W
N
T
--------------
I
W
K
Y
F
H
L
L
N
E
------------
E
R
-----------
K
K
I
C
S
F
D
A
KANI--
L
-
K
L
I
D
F
--
D
---------
V
L
R
D
-------
S
I
V
E
V
E
-------------
S
L
C
K
R
E
N
S
P
I
V
L
C
H
C
D
L
L
S
S
N
I
I
N
T
V
G
--------
D
S
--
I
S
F
I
D
F
E
Y
S
C
P
M
E
R
A
Y
D
I
A
N
H
F
N
E
------
Y
A
G
F
N
CDWDL
T
P
------------------
S
K
E
E
E
Y
H
F
I
M
H
Y
L
G
T
D
D
--------------
E
ELI-------
N
Q
L
I
R
E
I
Q
P
F
Y
I
C
S
H
I
N
W
G
L
W
S
L
L
Q
G
M
H
S
-----
S
-
D
--
F
D
-------
F
I
N
Y
G
M
T
R
L
T
---
A
S
C
L
P
-------------------
68
HHSearch
63.52
20%
-4
- C- -
-
3DXQ
-
?
A:
[4-284]
----------------------------------------
D
E
A
R
A
K
L
A
A
-
I
P
----
M
-
L
--
A
G
---
Y
T
-
G
P
L
E
R
L
G
G
L
T
N
-
L
V
F
R
A
----------------------------------------
G
D
L
C
L
R
I
P
-
G
K
------
Y
I
N
R
A
N
E
A
V
A
A
R
-
E
A
A
K
A
G
V
S
P
E
V
L
H
V
D
P
A
T
G
V
M
V
T
R
Y
I
A
G
A
Q
T
M
S
P
E
K
F
K
T
R
-
P
G
S
P
A
R
A
G
E
A
F
R
K
L
H
G
S
-
G
A
-
V
--------
F
P
F
R
--------------
F
-------
E
-
L
F
A
M
--------------
I
D
D
Y
L
K
V
L
S
--------------
N
-----------
V
T------------
L
-
P
--
A
---
G
Y
H
-------
D
V
V
R
-------
E
A
G
G
V
R
-------------
S
A
L
A
A
H
P
L
P
L
A
A
C
H
C
D
P
L
C
E
N
F
L
D
T
G
---------
E
R
--
M
W
I
V
D
W
E
Y
S
G
M
N
D
P
L
W
D
L
G
D
L
S
V
E
------
G
---------
K
F
------------------
N
A
N
Q
D
E
E
L
M
R
A
Y
F
G
G
E
A
--------------
R
----------
P
A
E
R
G
R
V
V
I
Y
K
A
M
C
D
L
L
W
T
L
W
G
L
I
Q
L
A
N
D
--
N
---
P
V
--
D
D
-------
F
R
A
Y
A
D
G
R
F
A
---
R
C
K
A
L
-------------------
62
HHSearch
62.72
18%
19
- C5 -
-
2QG7
-
?
E:
[109-452]
------------------------------------------------------------------
D
S
L
E
F
Q
I
I
N
G
-
I
T
N
-
I
L
I
K
V
--------
K
---------
D
M
SK-------
Q
----------
A
K
Y
L
I
R
L
Y
-
G
P
K
T
D-
E
-
I
I
N
R
E
R
E
K
K
I
S
C
-
I
L
Y
N
K
N
I
A
K
K
I
Y
V
F
F
T
N
--
G
R
I
E
E
F
M
D
G
Y
-
A
L
S
R
E
D
I
K
-
N
-
P
K
F
Q
K
L
I
A
K
N
L
K
L
L
H
D
I
-
K
L
-
N
--------
E
N
L
Y
KELQVTQKVPGTRP
S
-------
F
-
L
W
N
T
--------------
I
W
K
Y
F
H
L
L
N
E
------------
E
R
-----------
K
KICSFDAKANI--
L
-
K
LI
D
F--
D
---------
V
L
R
D
-------
S
I
V
E
V
E
-------------
S
L
C
K
R
E
N
S
P
I
V
L
C
H
C
D
L
L
S
S
N
I
I
N
T
V
GG-------
D
S
--
I
S
F
I
D
F
E
Y
S
C
P
M
E
R
A
Y
D
I
A
N
H
F
N
E
------
Y
AGFNCDWDL
T
P
------------------
S
K
E
E
E
Y
H
F
I
M
H
Y
L
G
T
D
D
--------------
E
ELI-------
N
Q
L
I
R
E
I
Q
P
F
Y
I
C
S
H
I
N
W
G
L
W
S
L
L
Q
G
M
H
S
-----
S
-
D
--
F
D
-------
F
I
N
Y
G
M
T
R
L
T
---
A
S
C
L
P
-------------------
36
Fugue
60.34
14%
21
- C5 -
-
1NW1
-
CKA2_CAEEL
A:
[32-426]
--------------
G
M
K
E
L
L
S
T
M
D
L
D
T
D
A
N
T
I
P
E
L
K
E
R
A
H
M
L
C
A
R
F
L
G
G
A
W
K
----
T
-
V
--
P
L
---
E
H
L
R
I
S
R
I
K
G
G
M
S
-
N
M
L
F
L
C
--------
R
L
S
EVYPPIR
N
E
---------
P
----------
N
K
V
L
L
R
V
Y
-
F
N
P
E
--
T
-
E
S
H
L
V
A
E
S
V
I
F
T
-
L
L
S
E
R
H
L
G
P
K
L
Y
G
I
F
S
G
--
G
R
L
E
E
Y
I
P
S
R
-
P
L
S
C
H
E
I
S
-
L
-
A
H
M
S
T
K
I
A
K
R
V
A
K
V
H
Q
L
E
V
P
-
I
--------
W
K
E
P
--------------
D
-------
Y
-
L
C
E
A
--------------
L
Q
R
W
L
K
Q
L
T
G
T
V
DAE
H
R
F
D
L
PE
E
C
-----------
G
-------------
V
-
S
--
S
---
V
---------
N
C
L
D
----
L
A
R
E
L
E
F
L
R
-------------
A
H
I
S
L
S
K
S
P
V
T
F
C
H
N
D
L
Q
E
G
N
I
L
L
P
K
--
R
----------
L
V
L
I
D
F
E
Y
A
S
Y
N
Y
R
A
F
D
F
A
N
H
F
I
E
------
W
---------
T
I
------------------
D
Y
D
I
D
E
A
P
F
Y
K
I
Q
T
E
N
F
--------------
P
----------
E
N
D
Q
M
L
E
F
F
L
N
Y
L
R
E
Q
G
N
T
R
E
N
E
L
Y
K
K
S
E
D
L
V
Q
E
T
L
P
F
V
P
V
S
H
F
F
W
G
V
W
G
L
L
Q
V
E
L
S
P
VGF
G
F
A
D
Y
G
R
D
R
L
S
L
Y
F
K
H
K
Q
L
L
K
N
LA
1
PsiBlast_PDB
57.54
22%
29
- C5 -
-
4R77
-
?
B:
[26-257]
---------------------------------------------------------------------------
G
G
M
T
N
Q
N
-
Y
L
A
--------
K
---------
T
T
---------
N
----------
K
Q
Y
I
V
K
F
F
G
K
G
T
E
KL
I
-
N
R
Q
D
E
K
Y
N
L
E
L
L
-
K
D
L
G
L
D
V
K
N
Y
L
F
D
I
E
A
G
I
K
--
V
N
E
Y
I
-
E
S
-
A
I
T
L
D
S
T
S
-
I
-
K
T
K
F
D
K
I
A
P
I
L
Q
T
I
H
T
S
-
A
K
-
E
--------
L
R
-
G
--------------
E
-------
F
-
A
P
F
E
--------------
E
I
K
K
Y
E
S
L
I
E
------------
E
Q
-----------
I
PYA----------
N
-
Y
--
E
---
S
---------
V
R
N
A
----
V
F
S
L
E
K
R
-----------------
L
A
D
L
G
V
D
R
K
S
C
H
I
D
L
V
P
E
N
F
I
E
S
P
--
Q
------
G
R
--
L
Y
L
I
D
W
E
Y
S
S
M
N
D
P
M
W
D
L
A
A
L
F
L
E
------
S
---------
E
F
------------------
T
S
Q
E
E
E
T
F
L
S
H
Y
E
S
D
Q
T
--------------
P
----------
V
S
H
-
E
K
I
A
I
Y
K
I
L
Q
D
T
I
W
S
L
W
T
V
Y
-------------------------------------------------------------
66
HHSearch
56.28
18%
21
* C5 *
-
4R7B
-
?
A:
[22-293]
---------------------------------------
E
K
I
I
K
E
K
I
S
S
L
L
S
----
Q
-
E
---
E
---
E
V
L
S
V
E
Q
L
-
G
G
M
T
N
-
Q
N
Y
L
A
--------
K
---------
T
T
---------
N
----------
K
Q
Y
I
V
K
F
F
-
G
K
G
T
E-
K
-
L
I
N
R
Q
D
E
K
Y
N
L
E
-
L
L
K
D
L
G
L
D
V
K
N
Y
L
F
D
I
E
A
G
I
K
V
N
E
Y
I
E
S
A
I
T
L
D
S
T
S
---
I
-
K
T
K
F
D
K
I
A
P
I
L
Q
T
I
H
T
S
-
A
K
-
E
--------
L
R
G
E
--------------
F
-------
A
-
P
F
E
E
--------------
I
K
K
Y
E
S
L
I
E
E
------------
Q
I
-----------
P
-------------
Y
-
A
--
N
Y
--
E
---------
S
V
R
N
-------
A
V
F
S
L
E
-------------
K
R
L
A
D
L
G
V
D
R
K
S
C
H
I
D
L
V
P
E
N
F
I
E
S
P
--
Q
------
G
R
--
L
Y
L
I
D
W
E
Y
S
S
M
N
D
P
M
W
D
L
A
A
L
F
L
E
------
S
---------
E
F
------------------
T
S
Q
E
E
E
T
F
L
S
H
Y
E
S
D
Q
T
-------------------------
P
V
S
H
E
K
I
A
I
Y
K
I
L
Q
D
T
I
W
S
L
W
T
V
Y
K
E
E
Q
--------
G
--
E
D
-------
F
G
D
Y
G
V
N
R
Y
----------------------------
2
PsiBlast_PDB
55.84
22%
40
- C5 -
-
4R78
2
?
A:
[46-277]
---------------------------------------------------------------------------
G
G
M
T
N
Q
N
-
Y
L
A
--------
K
---------
T
T
---------
N
----------
K
Q
Y
I
V
K
F
F
G
K
G
T
E
KL
I
-
N
R
Q
D
E
K
Y
N
L
E
L
L
-
K
D
L
G
L
D
V
K
N
Y
L
F
D
I
E
A
G
I
K
--
V
N
E
Y
I
-
E
S
-
A
I
T
L
D
S
T
S
-
I
-
K
T
K
F
D
K
I
A
P
I
L
Q
T
I
H
T
S
-
A
K
-
E
--------
L
R
-
G
--------------
E
-------
F
-
A
P
F
E
--------------
E
I
K
K
Y
E
S
L
I
E
------------
E
Q
-----------
I
PYA----------
N
-
Y
--
E
---
S
---------
V
R
N
A
----
V
F
S
L
E
K
R
-----------------
L
A
D
L
G
V
D
R
K
S
C
H
I
D
L
V
P
E
N
F
I
E
S
P
--
Q
------
G
R
--
L
Y
L
I
D
W
E
Y
S
S
M
N
D
P
M
W
D
L
A
A
L
F
L
E
------
S
---------
E
F
------------------
T
S
Q
E
E
E
T
F
L
S
H
Y
E
S
D
Q
T
--------------
P
----------
V
S
H
-
E
K
I
A
I
Y
K
I
L
Q
D
T
I
W
S
L
W
T
V
Y
-------------------------------------------------------------
3
PsiBlast_PDB
55.07
22%
34
- C5 -
-
4R7B
-
?
A:
[46-277]
---------------------------------------------------------------------------
G
G
M
T
N
Q
N
-
Y
L
A
--------
K
---------
T
T
---------
N
----------
K
Q
Y
I
V
K
F
F
G
K
G
T
E
KL
I
-
N
R
Q
D
E
K
Y
N
L
E
L
L
-
K
D
L
G
L
D
V
K
N
Y
L
F
D
I
E
A
G
I
K
--
V
N
E
Y
I
-
E
S
-
A
I
T
L
D
S
T
S
-
I
-
K
T
K
F
D
K
I
A
P
I
L
Q
T
I
H
T
S
-
A
K
-
E
--------
L
R
-
G
--------------
E
-------
F
-
A
P
F
E
--------------
E
I
K
K
Y
E
S
L
I
E
------------
E
Q
-----------
I
PYA----------
N
-
Y
--
E
---
S
---------
V
R
N
A
----
V
F
S
L
E
K
R
-----------------
L
A
D
L
G
V
D
R
K
S
C
H
I
D
L
V
P
E
N
F
I
E
S
P
--
Q
------
G
R
--
L
Y
L
I
D
W
E
Y
S
S
M
N
D
P
M
W
D
L
A
A
L
F
L
E
------
S
---------
E
F
------------------
T
S
Q
E
E
E
T
F
L
S
H
Y
E
S
D
Q
T
--------------
P
----------
V
S
H
-
E
K
I
A
I
Y
K
I
L
Q
D
T
I
W
S
L
W
T
V
Y
-------------------------------------------------------------
65
HHSearch
55.02
18%
23
- C5 -
-
4R78
2
?
A:
[22-293]
---------------------------------------
E
K
I
I
K
E
K
I
S
S
L
L
S
----
Q
-
E
---
E
---
E
V
L
S
V
E
Q
L
-
G
G
M
T
N
-
Q
N
Y
L
A
--------
K
---------
T
T
---------
N
----------
K
Q
Y
I
V
K
F
F
-
G
K
G
T
E-
K
-
L
I
N
R
Q
D
E
K
Y
N
L
E
-
L
L
K
D
L
G
L
D
V
K
N
Y
L
F
D
I
E
A
G
I
K
V
N
E
Y
I
E
S
A
I
T
L
D
S
T
S
---
I
-
K
T
K
F
D
K
I
A
P
I
L
Q
T
I
H
T
S
-
A
K
-
E
--------
L
R
G
E
--------------
F
-------
A
-
P
F
E
E
--------------
I
K
K
Y
E
S
L
I
E
E
------------
Q
I
-----------
P
-------------
Y
-
A
--
N
Y
--
E
---------
S
V
R
N
-------
A
V
F
S
L
E
-------------
K
R
L
A
D
L
G
V
D
R
K
S
C
H
I
D
L
V
P
E
N
F
I
E
S
P
--
Q
------
G
R
--
L
Y
L
I
D
W
E
Y
S
S
M
N
D
P
M
W
D
L
A
A
L
F
L
E
------
S
---------
E
F
------------------
T
S
Q
E
E
E
T
F
L
S
H
Y
E
S
D
Q
T
-------------------------
P
V
S
H
E
K
I
A
I
Y
K
I
L
Q
D
T
I
W
S
L
W
T
V
Y
K
E
E
Q
--------
G
--
E
D
-------
F
G
D
Y
G
V
N
R
Y
----------------------------