@TOME V2.2
(Nov 2016)
Ref.
-
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 : SC5A2_HUMAN: (2015-12-11 )
MEEHTEAGSAPEMGAQKALIDNPADILVIAAYFLLVIGVGLWSMCRTNRGTVGGYFLAGRSMVWWPVGASLFASNIGSGHFVGLAGTGAASGLAVAGFEWNALFVVLLLGWLFAPVYLTAGVITMPQYLRKRFGGRRIRLYLSVLSLFLYIFTKISVDMFSGAVFIQQALGWNIYASVIALLGITMIYTVTGGLAALMYTDTVQTFVILGGACILMGYAFHEVGGYSGLFDKYLGAATSLTVSEDPAVGNISSFCYRPRPDSYHLLRHPVTGDLPWPALLLGLTIVSGWYWCSDQVIVQRCLAGKSLTHIKAGCILCGYLKLTPMFLMVMPGMISRILYPDEVACVVPEVCRRVCGTEVGCSNIAYPRLVVKLMPNGLRGLMLAVMLAALMSSLASIFNSSSTLFTMDIYTRLRPRAGDRELLLVGRLWVVFIVVVSVAWLPVVQAAQGGQLFDYIQAVSSYLAPPVSAVFVLALFVPRVNEQGAFWGLIGGLLMGLARLIPEFSFGSGSCVQPSACPAFLCGVHYLYFAIVLFFCSGLLTLTVSLCTAPIPRKHLHRLVFSLRHSKEEREDLDADEQQGSSLPVQNGCPESAMEMNEPQAPAPSLFRQCLLWFCGMSRGGVGSPPPLTQEEAAAAARRLEDISEDPSWARVVNLNALLMMAVAVFLWGFYA
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.......570....----...580.......590.......600.......610.......620....--...630.......640.......650.......660.......670
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MEEHTEAGSAPEMGA
Q
K
ALIDNP
A
D
I
L
V
I
A
A
Y
F
L
L
V
I
G
V
G
L
W
S
M
C
RTN-RGTV
G
G
Y
F
LAGR
S
M
V
W
WPV
G
A
S
L
F
A
S
NIGS
G
H
F
V
G
L
AGTGA-ASG
L
A
V
A-GFE
W
-
N
A
L
F
V
V
L
L
L
G
W
L
F
A
P
V
---
Y
L
T
A
-
G
V
I
T
M
P
Q
Y
L
R
K
RFGGR
R
I
R
L
Y
L
S
V
L
S
L
F
L
Y
I
F
T
K
I
S
V
D
M
F
S
G
A
V
F
I
Q
Q
ALG
W
-----
N
--
I
Y
A
--
S
V
I
A
L
L
G
I
T
M
I
Y
TVTG
G
L
A
A
L
M
Y
TD
T
V
Q
T
F
V
I
LG
G
A
C
I
L
M
G
Y
A
F
H
EVGG-YS
G
L
F
D
K
Y
LGAA
T
S
L
T
VSEDPAVGN
I
S
S
F
C
YRPRPDS
Y
H
L
LRHPVT---GDL
P
W
P
A
L
L
L
-
G
L
T
IVS
G
W
YWC
S
D
Q
V
I
V
Q
R
C
LA--------GKSL
T
H
IK
A
G
C
I
L
C
G
Y
L
K
L
T
P
M
F
L
M
V
M
P
G
M
I
S
R
ILYP
D
-
E
V
A
C
V
V
P
E
V
C
R
R
V
CGTEVGCSNIA
Y
P
R
L
V
V
K
LMPN
G
L
R
G
L
M
L
A
V
M
L
A
A
L
M
S
S
L
-
A
S
I
FNSSS
T
L
F
T
M
D
I
Y
T
R-L-RPRAGDR
E
L
L
L
V
G
R
L
W
V
V
F
I
V
V
V
S
V
A
W
L
P
V
V
Q
AAQG
G
Q
L
F
D
Y
I
Q
A
V
S
S
YLAP
P
V
S
A
V
F
V
L
A
L
F
VPRVN---------E-------QG----
A
F
W
G
L
I
G
G
L
L
M
G
L
A
R
LIPEFSFGSGSCVQPS
A
C
P
A
F
L
C
G
V
H
Y
L
Y
F
A
I
V
L
F
F
CS
G
L
L
T
L
T
V
S
L
CTAPI
P
R
K
H
L
H
R
L
V
F
S
L
RH
S
K
E
E
REDLDAD----EQQGSSLPVQNGCPE
S
A
MEMNEPQAP
A
P
S
L
F
R
Q
C
L
L
W
F
CGMSRGGVGSPP--PL
T
Q
E
E
A
A
A
A
A
R
R
L
E
D
ISEDPS
W
A
R
V
V
N
L
N
A
L
L
M
M
A
V
A
V
F
L
W
GFYA
10
HHSearch
94.04
30%
-142
- C3 -
2XQ2
3
SGLT_VIBPH
A:
[9-514]
---------------------
S
F
I
D
I
M
V
F
A
I
Y
V
A
I
I
I
G
V
G
L
W
V
S
------------------
L
P
W
W
A
V
G
A
S
L
I
A
A
N
I
S
A
E
Q
F
I
G
M
S
G
S
G
Y
-
S
I
G
L
A
I
A
-
S
Y
E
W
-
M
S
A
I
T
L
I
I
V
G
K
Y
F
L
P
I
---
F
I
E
K
-
G
I
Y
T
I
P
E
F
V
E
K
R
F
N
K
K
-
L
K
T
I
L
A
V
F
W
I
S
L
Y
I
F
V
N
L
T
S
V
L
Y
L
G
G
L
A
L
E
T
I
L
G
I
-----
P
--
L
M
Y
--
S
I
L
G
L
A
L
F
A
L
V
Y
S
I
Y
G
G
---
V
V
W
T
D
V
I
Q
V
F
F
L
V
L
G
G
F
M
T
T
Y
M
A
V
S
F
I
G
G
-
T
D
G
W
F
A
G
V
S
K
M
V
D
A
-------------------
A
P
G
H
F
E
M
I
L
D
Q
S
N
PQY
M
N
L
P
G
I
A
V
L
I
G
G
L
W
V
A
N
L
Y
Y
W
G
F
N
Q
Y
I
I
Q
R
T
L
A
--------
A
K
S
V
S
E
A
Q
K
G
I
V
F
A
A
F
L
A
L
I
V
P
F
L
V
V
L
P
G
I
A
A
Y
V
I
T
S
D
-
P
Q
L
M
A
S
L
G
-----
N
L
P
S
A
A
N
A
D
K
A
Y
P
W
L
T
-
Q
F
L
P
V
G
V
K
G
V
V
F
A
A
L
A
A
A
I
V
S
S
L
-
A
S
M
L
N
S
T
A
T
I
F
T
M
D
I
Y
K
E
Y
I
-
S
P
D
S
G
D
H
K
L
V
N
V
G
R
T
A
A
V
V
A
L
I
I
A
A
L
I
A
P
M
L
G
G
--
I
G
Q
C
F
Q
Y
I
Q
E
Y
T
G
L
V
S
P
G
I
L
A
V
F
L
L
G
L
F
W
K
K
T
T
---------
S
-------
K
G
----
A
I
I
G
V
V
A
S
I
P
F
A
L
F
L
K
F
M
P
------------------
L
S
M
P
F
M
D
Q
M
L
Y
T
L
L
F
T
M
V
V
I
A
F
T
S
L
S
T
S
I
N
D
D
-
D
P
K
G
I
S
V
T
S
S
M
F
V
T
D
R
S
F
N
I
A
A
----
Y
G
I
M
I
V
L
A
V
L
Y
T
L
F
W
V
N
A
D
A
E
I
T
L
I
I
F
G
V
M
A
G
V
I
G
T
I
L
L
I
S
Y
G
I
K
-----------------------------------------------------
1
PsiBlast_PDB
90.16
32%
-149
- C3 -
2XQ2
3
SGLT_VIBPH
A:
[12-464]
------------------------
D
I
M
V
F
A
I
Y
V
A
I
I
I
G
V
G
L
W
-
V
S
-----------------
L
P
W
W
A
V
G
A
S
L
I
A
A
N
I
S
A
E
Q
F
I
G
M
S
G
S
G
Y
-
S
I
G
L
A
I
A
-
S
Y
E
W
-
M
S
A
I
T
L
I
I
V
G
K
Y
F
L
P
I
---
F
I
E
K
-
G
I
Y
T
I
P
E
F
V
E
K
R
F
-
N
K
K
L
K
T
I
L
A
V
F
W
I
S
L
Y
I
F
V
N
L
T
S
V
L
Y
L
G
G
L
A
L
E
T
I
L
G
I
-----
P
--
L
M
Y
--
S
I
L
G
L
A
L
F
A
L
V
Y
S
I
Y
G
G
---
V
V
W
T
D
V
I
Q
V
F
F
L
V
L
G
G
F
M
T
T
Y
M
A
V
S
F
I
G
G
-
T
D
G
W
F
-----
A
G
V
S
K
M
V
--
D
A
A
P
G
H
F
E
M
I
L
D
Q
S
N
P
Q
Y
M
------------
N
L
P
G
I
A
V
L
I
G
G
L
W
V
A
N
L
Y
Y
W
G
F
N
Q
Y
I
I
Q
R
T
L
A
--------
A
K
S
V
S
E
A
Q
K
G
I
V
F
A
A
F
L
A
L
I
V
P
F
L
V
V
L
P
G
I
A
A
Y
V
I
T
S
D
P
Q
L
M
A
S
L
G
-----
N
L
P
S
A
A
N
A
D
K
-
A
Y
P
W
L
-
T
Q
F
L
P
V
G
V
K
G
V
V
F
A
A
L
A
A
A
I
V
S
S
L
-
A
S
M
L
N
S
T
A
T
I
F
T
M
D
I
Y
K
E
Y
I
-
S
P
D
S
G
D
H
K
L
V
N
V
G
R
T
A
A
V
V
A
L
I
I
A
A
L
I
A
P
M
L
G
G
I
--
G
Q
C
F
Q
Y
I
Q
E
Y
T
G
L
V
S
P
G
I
L
A
V
F
L
L
G
L
F
W
K
K
T
T
---------
S
-------
K
G
----
A
I
I
G
V
V
A
S
I
P
F
A
L
F
L
K
F
M
P
L
S
M
P
F
M
D
Q
M
L
Y
T
L
L
F
T
M
V
V
I
A
F
T
S
L
S
T
S
I
N
D
D
D
P
K
G
I
S
V
T
S
S
M
F
V
T
D
R
S
F
N
I
A
A
Y
G
I
M
I
V
L
A
V
L
Y
T
L
F
W
V
N
A
D
----
A
E
I
T
L
I
I
F
G
V
M
A
G
V
I
G
T
I
L
L
I
S
Y
G
I
K
------------------------------------------------------------------------
20
Fugue
82.36
28%
-96
- C3 -
3DH4
1
?
A:
[52-518]
----------------------------------------------------------
A
G
K
S
L
P
W
W
A
V
G
A
S
L
I
A
A
N
I
S
A
E
Q
F
I
G
M
S
G
S
G
Y
-
S
I
G
L
A
I
A
-
S
Y
E
W
-
M
S
A
I
T
L
I
I
V
G
K
Y
F
L
P
I
---
F
I
E
K
-
G
I
Y
T
I
P
E
F
V
E
K
R
F
N
-
K
K
L
K
T
I
L
A
V
F
W
I
S
L
Y
I
F
V
N
L
T
S
V
L
Y
L
G
G
L
A
L
E
T
I
L
G
I
-----
P
--
L
M
Y
--
S
I
L
G
L
A
L
F
A
L
V
Y
S
------
I
V
V
W
T
D
V
I
Q
V
F
F
L
V
L
G
G
F
M
T
T
Y
M
A
V
S
F
I
G
G
-
T
D
G
W
F
A
G
V
S
K
M
V
D
A
----------------
A
P
G
H
F
E
M
I
L
D
Q
S
N
P
Q
Y
---
M
N
L
P
G
I
A
V
L
I
G
G
L
W
V
A
N
L
Y
Y
W
G
F
N
Q
Y
I
I
Q
R
T
L
A
--------
A
K
S
V
S
E
A
Q
K
G
I
V
F
A
A
F
L
K
L
I
V
P
F
L
V
V
L
P
G
I
A
A
Y
V
I
T
S
D
-
P
Q
L
M
A
S
L
G
D
I
A
A
T
N
L
P
S
A
A
N
A
D
K
A
Y
P
W
L
T
-
Q
F
L
P
V
G
V
K
G
V
V
F
A
A
L
A
A
A
I
V
S
S
L
-
A
S
M
L
N
S
T
A
T
I
F
T
M
D
I
Y
K
E
-
Y
I
S
P
D
S
G
D
H
K
L
V
N
V
G
R
T
A
A
V
V
A
L
I
I
A
C
L
I
A
P
M
L
G
G
I
--
G
Q
A
F
Q
Y
I
Q
E
Y
T
G
L
V
S
P
G
I
L
A
V
F
L
L
G
L
F
W
K
K
T
T
---------
S
-------
K
G
----
A
I
I
G
V
V
A
S
I
P
F
A
L
F
L
K
F
M
P
L
S
M
------------------
P
F
M
D
Q
M
L
Y
T
L
L
F
T
M
V
V
I
A
F
T
S
L
S
T
S
I
N
D
D
D
P
K
G
I
S
V
T
S
S
M
F
V
T
D
R
S
------------------------------------------------------------------------------------
F
N
I
A
A
Y
G
I
M
I
V
L
A
V
L
Y
T
L
F
W
V
L
Y
K
2
PsiBlast_PDB
74.56
31%
-91
- C3 -
3DH4
1
?
A:
[52-435]
----------------------------------------------------------
A
G
K
S
L
P
W
W
A
V
G
A
S
L
I
A
A
N
I
S
A
E
Q
F
I
G
M
S
G
S
G
Y
-
S
I
G
L
A
I
A
-
S
Y
E
W
-
M
S
A
I
T
L
I
I
V
G
K
Y
F
L
P
I
---
F
I
E
K
-
G
I
Y
T
I
P
E
F
V
E
K
R
F
-
N
K
K
L
K
T
I
L
A
V
F
W
I
S
L
Y
I
F
V
N
L
T
S
V
L
Y
L
G
G
L
A
L
E
T
I
L
G
I
-----
P
--
L
M
Y
--
S
I
L
G
L
A
L
F
A
L
V
Y
S
I
------
V
V
W
T
D
V
I
Q
V
F
F
L
V
L
G
G
F
M
T
T
Y
M
A
V
S
F
I
G
G
-
T
D
G
W
F
-----
A
G
V
S
K
M
V
--
D
A
A
P
G
H
F
E
M
I
L
D
Q
S
N
P
Q
Y
M
------------
N
L
P
G
I
A
V
L
I
G
G
L
W
V
A
N
L
Y
Y
W
G
F
N
Q
Y
I
I
Q
R
T
L
A
--------
A
K
S
V
S
E
A
Q
K
G
I
V
F
A
A
F
L
K
L
I
V
P
F
L
V
V
L
P
G
I
A
A
Y
V
I
T
S
D
P
Q
L
M
A
S
L
G
D
I
A
A
T
N
L
P
S
A
A
N
A
D
K
-
A
Y
P
W
L
-
T
Q
F
L
P
V
G
V
K
G
V
V
F
A
A
L
A
A
A
I
V
S
S
L
-
A
S
M
L
N
S
T
A
T
I
F
T
M
D
I
Y
K
E
Y
I
-
S
P
D
S
G
D
H
K
L
V
N
V
G
R
T
A
A
V
V
A
L
I
I
A
C
L
I
A
P
M
L
G
G
I
--
G
Q
A
F
Q
Y
I
Q
E
Y
T
G
L
V
S
P
G
I
L
A
V
F
L
L
G
L
F
W
K
K
T
T
---------
S
-------
K
G
----
A
I
I
G
V
V
A
S
I
P
F
A
L
F
L
K
F
M
P
L
S
M
P
F
M
D
Q
M
L
Y
T
L
L
F
T
M
V
V
I
A
F
T
S
L
S
T
S
I
N
D
D
D
P
K
G
I
S
V
T
S
S
M
F
V
T
D
R
S
F
N
I
A
A
Y
G
I
M
I
V
L
A
V
L
Y
T
L
F
W
V
L
Y
K
------------------------------------------------------------------------------------------------------
8
PsiBlast_CBE
73.58
31%
-91
- C3 -
3DH4
1
?
C:
[52-435]
----------------------------------------------------------
A
G
K
S
L
P
W
W
A
V
G
A
S
L
I
A
A
N
I
S
A
E
Q
F
I
G
M
S
G
S
G
Y
-
S
I
G
L
A
I
A
-
S
Y
E
W
-
M
S
A
I
T
L
I
I
V
G
K
Y
F
L
P
I
---
F
I
E
K
-
G
I
Y
T
I
P
E
F
V
E
K
R
F
-
N
K
K
L
K
T
I
L
A
V
F
W
I
S
L
Y
I
F
V
N
L
T
S
V
L
Y
L
G
G
L
A
L
E
T
I
L
G
I
-----
P
--
L
M
Y
--
S
I
L
G
L
A
L
F
A
L
V
Y
S
I
------
V
V
W
T
D
V
I
Q
V
F
F
L
V
L
G
G
F
M
T
T
Y
M
A
V
S
F
I
G
G
-
T
D
G
W
F
-----
A
G
V
S
K
M
V
--
D
A
A
P
G
H
F
E
M
I
L
D
Q
S
N
P
Q
Y
M
------------
N
L
P
G
I
A
V
L
I
G
G
L
W
V
A
N
L
Y
Y
W
G
F
N
Q
Y
I
I
Q
R
T
L
A
--------
A
K
S
V
S
E
A
Q
K
G
I
V
F
A
A
F
L
K
L
I
V
P
F
L
V
V
L
P
G
I
A
A
Y
V
I
T
S
D
P
Q
L
M
A
S
L
G
D
I
A
A
T
N
L
P
S
A
A
N
A
D
K
-
A
Y
P
W
L
-
T
Q
F
L
P
V
G
V
K
G
V
V
F
A
A
L
A
A
A
I
V
S
S
L
-
A
S
M
L
N
S
T
A
T
I
F
T
M
D
I
Y
K
E
Y
I
-
S
P
D
S
G
D
H
K
L
V
N
V
G
R
T
A
A
V
V
A
L
I
I
A
C
L
I
A
P
M
L
G
G
I
--
G
Q
A
F
Q
Y
I
Q
E
Y
T
G
L
V
S
P
G
I
L
A
V
F
L
L
G
L
F
W
K
K
T
T
---------
S
-------
K
G
----
A
I
I
G
V
V
A
S
I
P
F
A
L
F
L
K
F
M
P
L
S
M
P
F
M
D
Q
M
L
Y
T
L
L
F
T
M
V
V
I
A
F
T
S
L
S
T
S
I
N
D
D
D
P
K
G
I
S
V
T
S
S
M
F
V
T
D
R
S
F
N
I
A
A
Y
G
I
M
I
V
L
A
V
L
Y
T
L
F
W
V
L
Y
K
------------------------------------------------------------------------------------------------------
9
PsiBlast_CBE
73.37
31%
-91
- C3 -
3DH4
1
?
B:
[52-435]
----------------------------------------------------------
A
G
K
S
L
P
W
W
A
V
G
A
S
L
I
A
A
N
I
S
A
E
Q
F
I
G
M
S
G
S
G
Y
-
S
I
G
L
A
I
A
-
S
Y
E
W
-
M
S
A
I
T
L
I
I
V
G
K
Y
F
L
P
I
---
F
I
E
K
-
G
I
Y
T
I
P
E
F
V
E
K
R
F
-
N
K
K
L
K
T
I
L
A
V
F
W
I
S
L
Y
I
F
V
N
L
T
S
V
L
Y
L
G
G
L
A
L
E
T
I
L
G
I
-----
P
--
L
M
Y
--
S
I
L
G
L
A
L
F
A
L
V
Y
S
I
------
V
V
W
T
D
V
I
Q
V
F
F
L
V
L
G
G
F
M
T
T
Y
M
A
V
S
F
I
G
G
-
T
D
G
W
F
-----
A
G
V
S
K
M
V
--
D
A
A
P
G
H
F
E
M
I
L
D
Q
S
N
P
Q
Y
M
------------
N
L
P
G
I
A
V
L
I
G
G
L
W
V
A
N
L
Y
Y
W
G
F
N
Q
Y
I
I
Q
R
T
L
A
--------
A
K
S
V
S
E
A
Q
K
G
I
V
F
A
A
F
L
K
L
I
V
P
F
L
V
V
L
P
G
I
A
A
Y
V
I
T
S
D
P
Q
L
M
A
S
L
G
D
I
A
A
T
N
L
P
S
A
A
N
A
D
K
-
A
Y
P
W
L
-
T
Q
F
L
P
V
G
V
K
G
V
V
F
A
A
L
A
A
A
I
V
S
S
L
-
A
S
M
L
N
S
T
A
T
I
F
T
M
D
I
Y
K
E
Y
I
-
S
P
D
S
G
D
H
K
L
V
N
V
G
R
T
A
A
V
V
A
L
I
I
A
C
L
I
A
P
M
L
G
G
I
--
G
Q
A
F
Q
Y
I
Q
E
Y
T
G
L
V
S
P
G
I
L
A
V
F
L
L
G
L
F
W
K
K
T
T
---------
S
-------
K
G
----
A
I
I
G
V
V
A
S
I
P
F
A
L
F
L
K
F
M
P
L
S
M
P
F
M
D
Q
M
L
Y
T
L
L
F
T
M
V
V
I
A
F
T
S
L
S
T
S
I
N
D
D
D
P
K
G
I
S
V
T
S
S
M
F
V
T
D
R
S
F
N
I
A
A
Y
G
I
M
I
V
L
A
V
L
Y
T
L
F
W
V
L
Y
K
------------------------------------------------------------------------------------------------------
7
PsiBlast_CBE
73.32
31%
-91
- C3 -
3DH4
1
?
D:
[52-435]
----------------------------------------------------------
A
G
K
S
L
P
W
W
A
V
G
A
S
L
I
A
A
N
I
S
A
E
Q
F
I
G
M
S
G
S
G
Y
-
S
I
G
L
A
I
A
-
S
Y
E
W
-
M
S
A
I
T
L
I
I
V
G
K
Y
F
L
P
I
---
F
I
E
K
-
G
I
Y
T
I
P
E
F
V
E
K
R
F
-
N
K
K
L
K
T
I
L
A
V
F
W
I
S
L
Y
I
F
V
N
L
T
S
V
L
Y
L
G
G
L
A
L
E
T
I
L
G
I
-----
P
--
L
M
Y
--
S
I
L
G
L
A
L
F
A
L
V
Y
S
I
------
V
V
W
T
D
V
I
Q
V
F
F
L
V
L
G
G
F
M
T
T
Y
M
A
V
S
F
I
G
G
-
T
D
G
W
F
-----
A
G
V
S
K
M
V
--
D
A
A
P
G
H
F
E
M
I
L
D
Q
S
N
P
Q
Y
M
------------
N
L
P
G
I
A
V
L
I
G
G
L
W
V
A
N
L
Y
Y
W
G
F
N
Q
Y
I
I
Q
R
T
L
A
--------
A
K
S
V
S
E
A
Q
K
G
I
V
F
A
A
F
L
K
L
I
V
P
F
L
V
V
L
P
G
I
A
A
Y
V
I
T
S
D
P
Q
L
M
A
S
L
G
D
I
A
A
T
N
L
P
S
A
A
N
A
D
K
-
A
Y
P
W
L
-
T
Q
F
L
P
V
G
V
K
G
V
V
F
A
A
L
A
A
A
I
V
S
S
L
-
A
S
M
L
N
S
T
A
T
I
F
T
M
D
I
Y
K
E
Y
I
-
S
P
D
S
G
D
H
K
L
V
N
V
G
R
T
A
A
V
V
A
L
I
I
A
C
L
I
A
P
M
L
G
G
I
--
G
Q
A
F
Q
Y
I
Q
E
Y
T
G
L
V
S
P
G
I
L
A
V
F
L
L
G
L
F
W
K
K
T
T
---------
S
-------
K
G
----
A
I
I
G
V
V
A
S
I
P
F
A
L
F
L
K
F
M
P
L
S
M
P
F
M
D
Q
M
L
Y
T
L
L
F
T
M
V
V
I
A
F
T
S
L
S
T
S
I
N
D
D
D
P
K
G
I
S
V
T
S
S
M
F
V
T
D
R
S
F
N
I
A
A
Y
G
I
M
I
V
L
A
V
L
Y
T
L
F
W
V
L
Y
K
------------------------------------------------------------------------------------------------------
12
HHSearch
58.47
14%
-135
- C3 -
2JLN
-
?
A:
[22-454]
---------------------------------------------------------
Y
A
E
R
S
V
G
P
F
S
L
A
A
I
W
F
A
M
A
I
Q
V
A
I
F
I
A
A
G
Q
--
M
-
T
S
S
F
Q
V
W
-
Q
V
I
V
-
A
I
A
A
G
C
T
I
A
V
I
L
L
F
F
T
Q
S
A
A
I
R
W
-
G
-
I
N
F
T
V
A
A
R
M
P
F
G
I
R
-
G
S
L
I
P
I
T
L
K
A
L
L
S
-
L
F
W
F
G
F
Q
T
W
L
G
A
L
A
L
D
E
I
T
R
L
L
TGFT
N
--
L
P
L
--
W
I
V
I
F
G
A
I
Q
V
V
T
T
-
F
Y
G
I
T
F
I
R
W
M
N
V
F
A
S
P
V
L
L
A
M
G
V
Y
M
V
Y
L
M
L
D
G
A
D
V
S
L
G
E
V
M
S
M
G
----
G
E
-------------------------------
N
---
P
G
M
P
F
S
-
T
A
I
-
M
I
F
V
G
G
W
I
A
V
V
V
S
I
H
D
I
V
K
E
C
K
VDPNAS
R
E
G
Q
T
K
A
D
A
R
Y
A
T
A
-
Q
W
L
G
M
V
P
A
S
I
I
F
G
F
I
G
A
A
S
M
V
L
V
G
E
-------------------
W
N
P
V
I
A
I
T
E
V
V
G
G
-
V
S
I
P
M
A
I
L
F
Q
V
F
V
L
L
A
T
W
S
T
N
P
A
A
N
L
L
S
P
A
Y
T
L
C
S
-
T
F
P
R
-
V
-
F
T
---------
F
K
T
G
-
V
I
V
S
A
V
V
G
L
L
M
M
P
W
--
Q
F
--
A
G
V
L
N
T
F
L
N
L
L
A
S
A
L
G
P
L
A
G
I
M
I
S
D
Y
F
L
V
R
R
R
RIS
L
H
D
L
Y
R
T
KGIYTYW
R
G
VN
W
V
A
L
A
V
Y
A
V
A
L
A
V
S
F
L
T
P
D
--------------------------
L
M
F
V
T
G
L
I
A
A
L
L
L
H
I
P
A
M
R
W
V
A
K
T
F
P
L
F
S
E
A
E
S
R
N
E
D
Y
L
R
P
I
G
P
-----------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
41.41
50%
-97
- C3 -
2VZ8
-
?
A:
[1442-1473]
------------------------------------------------------------------------------------------------------------------
W
L
M
A
V
G
---
C
S
T
S
-
G
V
V
G
M
V
N
C
L
R
K
E
P
G
G
H
R
I
R
C
V
L
V
S
N
L
S
S
T
S
P
A
P
E
M
H
P
S
S
S
E
L
Q
K
V
L
Q
G
D
L
V
M
-----
N
--
V
Y
R
--
D
G
A
W
G
A
F
R
H
F
P
L
E
Q
D
R
P
E
K
Q
T
E
H
A
F
V
N
V
L
S
R
G
D
L
S
S
I
R
W
V
C
S
P
L
H
Y
A
L
P
-
A
S
C
Q
D
R
L
C
S
V
Y
Y
T
S
L
N
F
R
D
V
M
L
A
T
G
K
L
S
P
D
S
I
P
G
K
W
L
T
R
D
C
M
L
G
M
E
---
F
S
G
R
D
A
S
G
R
R
-
V
M
G
M
V
P
A
E
G
L
A
T
S
V
L
L
L
Q
H
A
T
W
--------
E
V
P
S
T
W
T
L
E
E
A
A
S
V
P
I
V
Y
T
T
A
Y
Y
S
L
V
V
R
G
R
M
Q
P
G
E
S
V
L
-
I
H
S
G
S
G
G
V
G
Q
A
A
I
A
I
A
L
S
R
G
C
R
V
F
T
T
V
G
S
A
E
K
R
A
Y
L
Q
A
R
F
P
Q
L
D
E
T
C
F
A
N
S
R
D
-
T
S
F
E
Q
H
V
L
R
H
T
A
G
K
G
V
D
L
-
V
-
L
N
S
L
A
E
E
K
L
Q
A
S
V
R
C
L
A
Q
H
G
R
F
L
E
I
G
K
F
D
L
S
N
N
H
A
L
G
M
A
V
F
L
K
N
V
T
F
H
G
I
L
L
D
S
L
F
E
E
G
G
A
T
W
Q
E
V
S
E
---------
L
-------
L
K
----
A
G
I
Q
E
G
V
V
Q
P
L
K
C
T
V
F
P
R
T
K
V
E
A
A
F
R
Y
M
A
Q
G
K
H
I
G
K
V
V
I
Q
V
R
E
E
E
Q
G
P
A
P
R
G
L
P
P
I
A
L
T
G
L
S
K
T
F
C
P
P
H
K
S
Y
V
I
T
G
G
L
G
G
F
G
L
Q
L
A
Q
W
L
R
L
R
----
G
A
Q
K
L
V
L
T
S
R
S
G
I
R
T
G
Y
Q
A
R
Q
V
R
E
W
R
R
Q
G
V
Q
V
L
V
S
T
S
N
A
S
S
L
D
G
A
R
S
L
I
T
--
E
A
T
Q
L
G
P
V
G
G
V
F
N
L
A
M
V
V
S
K
P
K
Y
S
G
T
A
N
L
D
R
V
T
R
E
A
C
P
E
L
D
Y
F
V
I
F
4
PsiBlast_PDB
34.02
50%
-107
- C3 -
2VZ9
-
?
A:
[1442-1473]
------------------------------------------------------------------------------------------------------------------
W
L
M
A
V
G
---
C
S
T
S
-
G
V
V
G
M
V
N
C
L
R
K
E
P
G
G
H
R
I
R
C
V
L
V
S
N
L
S
S
T
S
P
A
P
E
M
H
P
S
S
S
E
L
Q
K
V
L
Q
G
D
L
V
M
-----
N
--
V
Y
R
--
D
G
A
W
G
A
F
R
H
F
P
L
E
Q
D
R
P
E
K
Q
T
E
H
A
F
V
N
V
L
S
R
G
D
L
S
S
I
R
W
V
C
S
P
L
H
Y
A
L
P
-
A
S
C
Q
D
R
L
C
S
V
Y
Y
T
S
L
N
F
R
D
V
M
L
A
T
G
K
L
S
P
D
S
I
P
G
K
W
L
T
R
D
C
M
L
G
M
E
---
F
S
G
R
D
A
S
G
R
R
-
V
M
G
M
V
P
A
E
G
L
A
T
S
V
L
L
L
Q
H
A
T
W
--------
E
V
P
S
T
W
T
L
E
E
A
A
S
V
P
I
V
Y
T
T
A
Y
Y
S
L
V
V
R
G
R
M
Q
P
G
E
S
V
L
-
I
H
S
G
S
G
G
V
G
Q
A
A
I
A
I
A
L
S
R
G
C
R
V
F
T
T
V
G
S
A
E
K
R
A
Y
L
Q
A
R
F
P
Q
L
D
E
T
C
F
A
N
S
R
D
-
T
S
F
E
Q
H
V
L
R
H
T
A
G
K
G
V
D
L
-
V
-
L
N
S
L
A
E
E
K
L
Q
A
S
V
R
C
L
A
Q
H
G
R
F
L
E
I
G
K
F
D
L
S
N
N
H
A
L
G
M
A
V
F
L
K
N
V
T
F
H
G
I
L
L
D
S
L
F
E
E
G
G
A
T
W
Q
E
V
S
E
---------
L
-------
L
K
----
A
G
I
Q
E
G
V
V
Q
P
L
K
C
T
V
F
P
R
T
K
V
E
A
A
F
R
Y
M
A
Q
G
K
H
I
G
K
V
V
I
Q
V
R
E
E
E
Q
G
P
A
P
R
G
L
P
P
I
A
L
T
G
L
S
K
T
F
C
P
P
H
K
S
Y
V
I
T
G
G
L
G
G
F
G
L
Q
L
A
Q
W
L
R
L
R
----
G
A
Q
K
L
V
L
T
S
R
S
G
I
R
T
G
Y
Q
A
R
Q
V
R
E
W
R
R
Q
G
V
Q
V
L
V
S
T
S
N
A
S
S
L
D
G
A
R
S
L
I
T
--
E
A
T
Q
L
G
P
V
G
G
V
F
N
L
A
M
V
L
R
D
A
V
L
E
N
Q
T
P
E
F
F
Q
D
V
S
K
P
K
Y
S
G
T
A
N
L
D
22
Fugue
34.00
18%
385
- C3 -
2KYA
-
?
A:
[1-34]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
N
K
K
N
I
L
P
Q
Q
G
Q
P
V
I
R
L
T
A
G
Q
L
S
S
Q
L
A
E
L
S
E
E
A
L
------------------------
21
Fugue
33.69
23%
293
- C3 -
1ZRX
-
STMX_STOCA
A:
[1-42]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
G
F
R
K
H
F
N
K
L
V
K
K
V
K
H
T
I
S
E
T
A
H
V
A
K
D
TAVI
A
G
S
G
A
A
V
V
A
A
T
---------------------------------------------------------------------------------------
14
HHSearch
32.80
15%
-84
- C3 -
3GIA
3
Y609_METJA
A:
[6-167]
------------------------------------------------------------
K
K
L
S
L
W
E
A
V
S
M
A
V
G
V
M
I
G
A
S
I
F
S
I
-
F
G
V
G
A
K
I
A
G
R
N
-
L
-
P
E
T
F
I
L
S
G
I
Y
A
L
L
V
A
Y
S
Y
T
K
L
---
G
A
K
I
V
S
N
A
G
P
I
A
F
I
H
K
A
I
G
D
N
I
I
T
G
A
L
S
I
L
L
W
M
S
Y
V
-
I
S
I
A
L
F
A
K
G
F
A
G
Y
F
L
P
L
I
N
A
-----
P
IN
T
F
N
I
A
I
T
E
I
G
I
V
A
F
F
T
A
L
N
F
F
G
S
K
A
V
G
R
A
E
F
F
I
V
L
V
K
L
L
I
L
G
L
F
I
F
A
G
L
I
T
I
H
P
-
S
Y
V
I
P
D
L
A
P
S
A
V
S
G
M
I
F
A
S
A
I
F
F
L
S
Y
M
G
F
G
V
I
T
N
A
S
E
H
I
E
N
P
K
K
N
V
---
P
R
A
I
F
I
S
I
L
I
-
V
M
F
V
Y
V
G
V
A
I
S
A
I
G
N
L
P
I
D
E
L
I
--------
K
A
S
E
N
A
L
A
V
A
A
K
P
F
L
G
N
L
G
F
L
L
I
S
I
G
A
L
F
S
I
S
S
A
M
N
A
T
-
I
Y
G
G
A
N
V
A
Y
S
L
A
K
D
G
E
L
P
E
F
F
E
R
K
V
W
F
K
S
T
E
G
L
Y
I
T
S
A
L
G
V
L
F
A
L
L
F
N
M
E
G
V
A
-
S
I
T
S
A
V
F
M
V
I
Y
L
F
V
I
L
S
H
-
Y
-
I
L
I
D
E
V
G
G
R
K
E
I
V
I
F
S
F
I
V
V
L
G
V
F
L
L
L
L
Y
Y
Q
W
I
T
N
R
F
V
F
Y
G
I
I
A
T
F
I
G
V
L
I
F
E
I
I
Y
R
K
V
T
K
R
T
F
S
N
N
M
---------
Y
-------
V
K
----
S
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
HHSearch
32.36
15%
-89
- C3 -
3L1L
2
ADIC_ECO57
A:
[8-169]
------------------------------------------------------------
H
K
V
G
L
I
P
V
T
L
M
V
S
G
A
I
M
G
S
G
V
F
L
L
-
P
A
N
L
A
-
S
T
G
G
I
A
I
Y
G
W
L
V
-
T
I
I
G
A
-
L
G
L
S
M
V
Y
A
K
M
---
S
F
L
D
P
S
P
G
G
S
Y
A
Y
A
R
R
C
F
G
P
F
-
L
G
Y
Q
T
N
V
L
Y
W
L
A
C
W
-
I
G
N
I
A
M
V
V
I
G
V
G
Y
L
S
Y
F
F
P
I
-----
L
KD
P
W
V
L
T
I
T
C
V
V
V
L
W
I
F
V
L
L
N
I
V
G
P
K
M
I
T
R
V
Q
A
V
A
T
V
L
A
L
I
P
I
V
G
I
A
V
F
G
W
F
W
F
R
G
-
E
T
Y
M
A
A
I
Q
S
T
L
N
V
T
L
W
S
F
I
G
V
E
S
A
S
V
A
A
G
V
V
K
N
P
K
R
N
V
P
I
A
T
I
G
G
V
---
L
I
A
A
V
C
Y
V
L
S
-
T
T
A
I
M
G
M
I
P
N
A
A
L
R
V
S
A
S
P
F
G
D
--------
A
A
R
M
A
L
G
D
T
A
G
A
I
V
S
F
C
A
A
A
G
C
L
G
S
L
G
G
W
T
L
L
A
G
Q
T
A
K
-
A
A
A
D
D
G
L
F
P
P
I
F
A
R
V
N
K
A
G
T
P
V
A
G
L
I
I
V
G
I
L
M
T
I
F
Q
L
S
S
I
S
P
N
A
T
K
E
F
G
L
V
S
S
-
V
S
V
I
F
T
L
V
P
Y
L
Y
T
C
A
A
L
L
-
L
-
L
G
H
G
H
F
G
K
A
R
P
A
Y
L
A
V
T
T
I
A
F
L
Y
C
I
W
A
V
V
G
S
G
A
K
E
V
M
W
S
F
V
T
L
M
V
I
T
A
M
Y
A
L
N
Y
N
R
L
H
K
N
P
Y
P
L
D
A
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
26
Fugue
30.91
9%
73
- C3 -
2L3L
-
TBCC_HUMAN
A:
[25-135]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
P
E
R
L
Q
R
R
E
Q
E
R
Q
L
E
V
E
R
R
K
Q
K
R
Q
N
Q
E
V
E
----
K
E
N
S
H
F
F
V
A
T
F
A
R
E
R
A
A
V
E
E
L
L
E
R
A
E
S
V
E
R
L
E
E
A
A
S
R
L
Q
G
L
Q
K
L
I
N
D
S
V
F
--
F
L
A
A
Y
D
L
R
Q
G
Q
E
A
L
A
R
L
Q
A
A
L
A
E
R
R
R
G
L
Q
P
K
K
--------------
27
Fugue
30.34
16%
139
- C3 -
3KXE
-
PARD1_CAUCR
C:
[5-79]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
T
S
V
V
L
G
D
H
----
F
Q
A
F
I
D
S
Q
V
A
D
G
R
Y
G
S
A
S
E
V
I
R
A
G
L
R
L
L
E
E
N
E
A
K
L
A
A
L
R
A
A
L
I
E
G
E
E
S
G
F
--
I
E
D
F
D
F
D
A
F
I
E
E
R
S
R
A
------------------------------
29
Fugue
30.21
13%
145
- C3 -
4CVO
-
A:
[9-77]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
E
L
Q
G
L
G
V
D
V
Y
D
Q
D
V
L
E
Q
G
V
L
Q
Q
V
D
N
A
I
H
E
A
S
R
A
S
Q
L
V
D
V
----
E
K
E
Y
R
S
V
L
D
D
L
T
S
C
T
T
S
L
R
Q
I
N
K
I
I
E
Q
L
S
---------------------------------------------------------------------
24
Fugue
29.97
13%
276
* C3 *
2KWY
-
A:
[1-43]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
D
N
A
G
G
V
G
--
E
L
E
K
K
A
E
A
G
V
Q
G
E
L
A
E
I
K
K
I
A
E
K
K
K
D
D
V
V
K
I
L
I
E
T
-----------
23
Fugue
29.46
7%
182
- C3 -
1IC2
-
TPM1_CHICK
A:
[1-79]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
D
A
I
K
K
K
M
Q
M
L
K
L
D
K
E
----
N
A
L
D
R
A
E
Q
A
E
A
D
K
K
A
A
E
E
R
S
K
Q
L
E
D
E
L
V
A
L
Q
K
K
L
K
G
T
E
D
E
L
D
K
Y
S
E
S
L
K
D
--
A
Q
E
K
L
E
L
A
D
K
K
A
T
---------------------------------
6
PsiBlast_PDB
29.27
45%
136
- C1 -
3VA7
2
?
A:
[1024-1054]
-----------------------------------
V
V
G
I
G
G
M
Y
M
C
I
Y
N
A
E
G
S
P
G
G
Y
Q
L
V
G
R
T
I
T
A
W
D
K
L
V
I
G
D
H
P
I
D
H
P
W
L
L
T
P
F
D
Q
V
E
F
-
Y
P
V
T
E
E
E
-
L
E
V
I
-
I
E
D
N
D
N
G
K
F
K
I
D
V
E
E
S
---
I
F
D
H
-
K
E
Y
L
A
W
I
N
E
N
I
D
S
I
V
A
F
Q
E
A
Q
G
G
E
K
A
D
E
F
A
R
L
I
Q
V
A
N
A
E
L
K
K
S
E
E
Y
P
D
D
A
E
L
-----
L
--
Y
S
E
--
Y
T
G
R
F
W
K
P
V
A
A
V
G
D
H
V
E
A
G
D
G
V
I
I
I
E
A
M
K
T
E
M
V
V
G
A
T
K
S
G
K
V
Y
K
I
L
H
K
N
-
G
D
M
V
E
A
G
D
L
V
A
V
I
V
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------