@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 : S2610_HUMAN: (2015-12-10 )
MRLDLASLMSAPKSLGSAFKSWRLDKAPSPQHTFPSTSIPGMAFALLASVPPVFGLYTSFFPVLIYSLLGTGRHLSTGTFAILSLMTGSAVERLVPEPLVGNLSGIEKEQLDAQRVGVAAAVAFGSGALMLGMFVLQLGVLSTFLSEPVVKALTSGAALHVLLSQLPSLLGLSLPRQIGCFSLFKTLASLLTALPRSSPAELTISALSLALLVPVKELNVRFRDRLPTPIPGEVVLVLLASVLCFTSSVDTRYQVQIVGLLPGGFPQPLLPNLAELPRILADSLPIALVSFAVSASLASIHADKYSYTIDSNQEFLAHGASNLISSLFSCFPNSATLATTNLLVDAGGKTQLAGLFSCTVVLSVLLWLGPFFYYLPKAVLACINISSMRQVFCQMQELPQLWHISRVDFLLQVPGLCILSYPTPLYFGTRGQFRCNLEWHLGLGEGEKETSKPDGPMVAVAEPVRVVVLDFSGVTFADAAGAREVVQVRERLASRCRDARIRLLLAQCNALVQGTLTRVGLLDRVTPDQLFVSVQDAAAYALGSLLRGSSTRSGSQEALGCGK
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)
-----------MRL
D
L
A
S
L
M
S
A
--
P
K
S
L
G
------
S
A
F
K
SWRLDKAPS---------PQH------TFP---------------S-TSI
P
-----
G
M
A
F
A
L
L
ASVP
P
V
F
G
L
Y
-
T
S
F
F
P
V
L
I
Y
S
L
L-GTGR--HL
S
T
G
T
F
A
I
L
S
L
M
T
G
S
A
V
E
R
LVP--------------EP-LV
G
N
LSGI
E
-------
K
E
Q
L
D
A
Q
R
V
G
V
A
A
-----
A
V
A
FGS--
G
A
L
M
L
G
--
M
F
V
L
----
Q
L
G
V
L
S
T
F
L
S
E
P
--------
V
V
K
A
L
TS
G
A
A
L
H
V
L
L
S
Q
L
P
S
L
LGLSLPRQI
G
C
F
S
L
F
K
T
---------------------------
L
A
S
L
L
T
A-LPRSS-------PA
E
L
T
I
S
A
L
S
L
A
L
L
-------------
V
P
V
K
E
L
N
V
---
R
FRDRLPTP----I
P
G
E
V
V
L
V
L
L
A
S
V
L
C
FTSSVD
T
R
Y
Q
V
Q
I
V
---------------
G
L
LP-G--GFPQ
P
L
L
P
N
----
L
A
---------
E
L
P
--
R
I
L
A
DS-----L
P
I
A
L
----
V
S
F
A
V
S
A
S
-----
L
A
-
S
IHAD
K
Y
S
----
Y
T
I-------DS
N
-
Q
E
F
L
A
H
G
A
S
N
L
I
S
S
L
F
S
C---FPNSA
T
L
A
T
T
N
L
L
V--DAGGK
T
Q
L
A
G
L
F
S
C
T
-------
V
V
L
S
V
L
L
W
--
L
G
P
-------------
F
F
Y
Y
L
P
K
A
V
L
A
C
-
I
N
I
-------
S
S
M
R
Q
V
F
C
Q
M
Q
E
L
P
Q
L
W
H
I
S
R
V
D
F
L
L
QVP
G
L
C
I
LSYPTP---
L
Y
--FGTR
G
Q
F
R
C
N
L
E
-----
W
H
LGLGEGEKETSKPDG
P
M
V
A
VAE
P
V
----------------
R
V
V
V
L
DFSG
V
T
FAD------------------------AAG
A
-
R
E
V
V
Q
V
R
------
E
R
L
A
S
R
C
R
D
A
R
I
R
L
L
L
A
Q
C
N
A
L
-
V
Q
-------
G
T
L
T
R
VGL-LD--RV
T
----
P
D
Q
---------
L
----
F
V
S
V
Q
D
A
A
---
A
Y
A
L
G
S
-----
L
L
R--GSST-RSG
S
Q
E
ALGCGK----------------------------------
36
Fugue
83.71
20%
-79
- C5 -
5DA0
2
?
A:
[14-484]
---------------------------
Q
R
------
E
W
F
A
N
P
R
K
D
V
L
A
G
---------
I
V
V
------
A
L
A
-----------------
L
I
P
E
-----
A
I
A
F
S
I
I
A
G
V
D
P
Q
V
G
L
Y
-
A
S
F
I
I
A
L
I
T
A
F
L
-
G
G
R
P
--
G
M
I
S
A
A
T
G
A
M
A
L
L
M
T
G
L
V
K
------------------------------------------
D
H
G
I
Q
Y
L
F
-----
A
A
T
V
L
T
--
G
V
L
Q
V
V
--
F
G
W
A
----
K
L
A
R
Y
L
K
F
V
P
R
S
--------
V
M
V
G
F
V
N
A
L
A
I
L
I
F
M
A
Q
L
P
Q
F
V
G
---------------------------------------------------
A
N
W
Q
-------
M
Y
A
M
V
A
A
G
L
A
I
I
Y
L
-------------
L
P
L
V
-------------
F
K
A
----
M
P
S
A
L
V
A
I
V
V
L
T
V
V
A
V
V
T
G
A
D
V
K
-
T
V
G
D
M
---------------
G
T
L
P
-
T
--
A
L
P
H
F
Q
F
P
Q
VPLT
F
E
---------
T
L
A
--
I
I
F
P
V
A
-----
L
T
L
S
L
----
V
G
L
L
E
S
L
L
-----
T
A
-
Q
L
I
D
E
R
T
D
----
T
T
S
-------
D
K
N
-
V
E
S
R
G
Q
G
V
A
N
I
V
T
G
F
F
G
G
---
M
A
G
C
A
M
I
G
Q
S
M
I
N
V
--
T
S
G
G
R
G
R
L
S
T
F
V
A
G
A
-------
F
L
M
V
L
I
L
A
--
L
Q
P
-------------
L
L
V
Q
I
P
M
A
A
L
V
A
-
V
M
M
-------
V
V
A
I
S
T
F
-------------------
D
W
G
S
L
R
F
P
K
G
E
T
V
---
V
M
--
L
A
T
V
A
V
T
V
F
T
H
D
-----
L
S
L
G
V
L
I
G
V
V
L
S
A
L
F
F
A
R
K
V
S
--------------------------
Q
L
S
Q
V
T
P
V
D
------------------------
E
V
D
G
-
T
R
T
Y
R
V
R
------
G
Q
L
F
F
V
----
S
T
H
D
F
L
H
Q
F
D
F
T
-
H
P
-------
A
R
R
V
V
I
D
L
-
S
D
--
A
H
F
----
W
D
G
---------
S
----
A
V
G
A
L
D
K
V
---
M
L
K
F
M
R
Q
G
T
S
V
E
L
R
--
G
L
N
A
-
A
S
A
T
L
V
E
R
L
-------------------------------------
43
Fugue
81.16
18%
-89
- C4 -
5CA8
1
?
A:
[27-687]
DAIQIIDENKH
F
N
T
G
I
L
D
Y
I
N
K
T
S
P
A
D
V
G
NN
Y
H
I
I
S
V
F
G
S
Q
S
T
G
K
S
T
L
---------
L
N
R
------
L
F
N
---------------
T
N
F
D
V
M
-----
G
I
W
L
A
Y
S
P
V
V
S
T
T
L
G
H
T
-
T
S
K
S
N
I
L
V
M
D
V
E
-
G
T
D
E
D-
Q
D
F
E
R
K
A
A
L
F
A
L
S
T
S
E
V
L
I
I
N
I
W
--------------
E
T
-
Q
V
G
L
Y
Q
G
---------
A
N
M
G
L
L
K
T
V
F
E
V
N
-----
L
S
L
F
G
K
--
S
K
L
E
T
H
ND
H
K
V
L
----
L
L
I
V
I
R
D
H
V
G
V
T
--------
P
V
E
S
L
A
K
T
F
T
L
D
-
L
Q
N
M
W
S
S
L
A
K
P
A
E
L
E
H
L
Q
F
A
D
F
F
D
V
---------------------------
T
F
H
A
L
N
H
K
V
L
Q
P
K
-------
E
F
G
E
G
I
N
R
L
G
D
R
L
V
VSNELFKPEYHHD
V
P
I
D
G
W
T
M
Y
A
E
R
C
W
E
Q
I
E
T
N
KDLD
L
P
T
Q
Q
I
L
V
A
Q
F
K
C
D
E
I
V
E
S
V
F
Q
E
F
L
T
K
Y
Q
---------------
H
H
F
K
-
E
--
V
D
A
A
P
---
D
----
F
E
---------
E
L
G
--
A
L
F
A
D
L
-----
R
Q
D
A
F
----
E
D
Y
D
A
S
A
S
RYN
K
A
V
Y
-
E
Q
K
R
K
K
L
R
----
W
L
I
-------
N
D
K
L
K
E
V
F
D
V
H
A
K
N
L
C
N
T
L
L
E
K
---
F
E
K
D
L
V
A
L
K
G
K
D
F
A
--
V
N
V
K
T
L
S
T
K
L
V
E
D
V
N
-------
F
Q
V
S
L
M
S
L
--
Q
G
D
-------------
L
--
S
L
D
E
I
I
L
A
L
-
T
K
D
-------
I
D
A
I
V
A
K
Q
Q
V
V
E
L
N
S
I
V
N
K
S
V
K
K
L
S
A
S
L
S
K
S
I
Q
F
E
L
G
D
P
NEE
T
W
--
D
N
V
L
Q
Q
F
K
G
V
Y
E
KFGGD
F
G
L
G
T
S
S
T
Q
N
Q
Q
A
I
E
K
F
K
F
K
S
W
C
Q
F
Y
----------------
D
V
T
H
K
L
I
S
R
E
K
L
L
A
------------------------
L
L
Q
D
-
R
F
D
D
K
F
R
YDENG
L
P
K
L
Y
L
N
E
Q
D
L
E
K
T
F
A
V
A
K
Q
H
A
L
Q
V
L
-------
P
I
L
T
F
A
K
L
-
A
D
GS
E
I
V
----
P
D
Y
---------
D
----
I
F
D
S
K
L
R
E
---
Q
F
-
L
D
H
-----
C
F
A
--
E
I
I
T
-
E
Q
E
K
L
E
V
L
A
K
F
K
K
E
V
D
A
K
Y
I
E
T
K
R
S
I
V-------------------
40
Fugue
78.05
18%
-105
- C2 -
5AGA
1
DPOLQ_HUMAN
A:
[3-827]
-----------
D
K
L
L
L
A
N
W
-
G
L
--
P
K
A
V
L
------
E
K
Y
H
S
F
G
V
K
K
M
F
E
---------
W
Q
A
------
E
C
L
L
LGQVLE
G
K
N
L
V
Y
S
A
P
-
T
S
A
G
-----
K
T
L
V
A
E
L
L
I
L
K
R
V
L
E
M
R
K
K
A
L
F
I
L
P
F
V
S
V
A
-
K
E
K
K
--
Y
Y
L
Q
S
L
F
Q
E
V
G
I
K
V
D
G
Y
M
G
S
T
S
P
SRHFSSLD
I
A
V
C
T
I
E
R
-
A
N
G
L
I
N
R
L
I
-------
E
E
N
-
K
M
D
L
L
G
M
V
V
V
D
ELH
M
L
G
D
S
H
--
R
G
Y
L
L
E
--
L
L
L
T
----
K
I
C
Y
I
T
R
K
S
A
S
C
QADSNA
V
Q
I
V
G
M
S
A
T
L
P
N
L
E
L
V
A
S
W
L
N
A
E
L
Y
H
T
D
F
R
P
V
P
L
L
E
S
V
K
V
GN
S
I
Y
D
SSMKLVREFEPM
L
Q
V
K
G
DEDH
V
V
S
L
C
Y
E
-
T
I
C
D
N
H
S
V
L
L
F
C
P
S
K
K
W
C
E
K
L
A
D
I
I
A
-------------
R
E
F
Y
N
L
H
H
---
Q
A
S
E
C
P
P
V
I
----
L
E
Q
K
E
L
L
E
V
M
D
Q
L
R
R
L
P
S
G
L
D
S
V
L
Q
K
T
V
P
WG
V
A
F
H
H
AGLT
F
E
E
R
D
I
I
E
-
G
--
A
F
R
Q
G
L
I
R
V
----
L
A
A
T
STLSSG
V
N
L
P
A
R
R
V
I
I
R
T
PIFGG
R
P
L
D
I
----
L
T
Y
K
Q
M
V
G
-----
R
A
G
R
K
G
V
D
T
V
G
----
E
S
I
L
I
C
K
NSE
K
S
K
-
G
I
A
L
L
Q
G
S
L
K
P
V
R
S
C
L
Q
R
GEE
V
T
G
S
M
I
R
A
I
L
E
I
I
V
G
G
V
A
S
T
S
Q
D
M
H
T
Y
A
A
C
T
F
L
A
A
S
MG
A
I
E
A
C
V
M
W
--
L
L
E
N
EF
I
Q
S
T
EE
G
K
V
Y
H
P
T
H
L
G
S
A
T
L
S
S
S
L
S
P
-------
A
D
T
L
D
I
F
A
D
L
Q
R
A
M
K
G
F
V
L
E
N
--------
D
L
H
I
L
Y
L
V
T
P
---
M
F
ED
W
T
T
I
D
W
Y
R
F
F
C
L
-----
W
E
-
K
L
P
T
S
M
K
R
V
A
E
L
V
G
V
E
E
G
F
L
A
R
C
V
K
GKVVARTERQHR
Q
M
A
I
H
K
R
F
F
T
S
L
V
L
L
D
L
I
S
EVP
L
R
E
I
N
Q
K
Y
GCN
R
G
Q
I
Q
S
L
Q
Q
S
A
-
A
V
Y
A
G
M
I
------
T
V
F
S
N
R
L
G
W
H
N
M
E
L
L
L
S
Q
F
Q
K
R
-
L
T
F
GIQREL
C
D
L
V
R
V
S
L
-
L
N
--
A
Q
R
----
A
R
V
---------
L
Y
A
S
G
F
H
T
V
A
D
L
A
R
AN
I
V
E
V
E
V
-----
I
L
K
--
N
A
V
P
F
K
S
A
R
K
E
A
V
E
E
R
R
NMRT
I
W
V
T
GRKGLT
E
R
E
A
A
A
L
I
V
E
E
A
R
M
I
L
Q
Q
D
L
1
PsiBlast_PDB
72.16
23%
-119
- C5 -
5DA0
2
?
A:
[40-331]
------------------------------------------------------------------------------------------------
I
A
F
S
I
I
A
G
V
D
P
Q
V
G
L
Y
-
A
S
F
I
I
A
L
I
T
A
F
L
-
G
-
G
R
PG
M
I
S
A
A
T
G
A
M
A
L
L
M
T
G
-----
L
V
K
--------------
D
-------
H
G
I
Q
-------
Y
L
--------
F
A
A
-----
T
V
L
T
G
V
--
L
Q
V
V
F
G
--
W
--
A
----
K
L
A
R
Y
L
K
F
V
P
R
S
--------
V
M
V
G
F
V
N
A
L
A
I
L
I
F
M
A
Q
L
P
Q
F
V
G
---------------------------------------------------------------
A
N
W
Q
M
Y
A
M
V
A
A
G
L
-------------
A
I
I
Y
L
L
P
L
---
V
F
K
-----
A
----
M
P
S
A
L
V
A
I
V
V
L
T
V
V
A
V
V
T
G
A
D
V
K
-
T
V
G
D
M
---------------
G
T
L
P
-
T
--
A
L
P
H
F
Q
F
P
Q
----
V
P
---------
L
T
F
--
E
T
L
A
I
I
-----
F
P
V
A
L
T
L
S
L
V
G
L
L
E
S
L
L
-----
T
A
-
Q
L
I
D
E
R
T
D
----
T
T
S
-------
D
K
N
-
V
E
S
R
G
Q
G
V
A
N
I
V
T
G
F
F
G
G
---
M
A
G
C
A
M
I
G
Q
S
M
I
N
V
--
T
S
G
G
R
G
R
L
S
T
F
V
A
G
A
-------
F
L
M
V
L
I
L
A
--
L
Q
P
-------------
L
L
V
Q
I
P
M
A
A
L
V
A
-
V
M
M
-------
V
V
A
I
S
T
F
D
W
G
S
L
R
F
P
K
G
E
T
V
V
M
L
A
T
V
A
V
T
V
F
T
H
D
L
S
L
G
V
---
L
I
--
G
V
V
L
S
A
L
F
F
A
R
K
-----
V
S
Q
L
S
Q
V
T
P
V
D
E
V
D
G
T
R
T
Y
R
V
R
G
Q
L
F
----------------
F
V
S
T
H
D
F
L
H
Q
F
D
F
T
------------------------
H
P
A
R
-
R
V
V
I
D
L
S
------
D
A
H
F
W
D
G
S
A
V
G
A
L
D
K
V
M
L
K
F
M
R
-
Q
G
-------
T
S
V
E
L
R
G
L
-
N
A
--
A
S
A
----
T
L
V
---------
E
----
R
L
----------------------------------------------------------------------------
38
Fugue
69.11
22%
-113
- C3 -
3LLO
1
A:
[1-143]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
P
S
Y
T
V
L
G
Q
L
P
D
T
D
V
Y
I
D
I
D
A
Y
E
E
V
K
E
I
P
G
I
K
I
F
Q
I
N
A
P
---
I
Y
--
Y
A
N
S
D
L
Y
S
S
A
-------------------------------
N
I
----------------
H
T
V
I
L
D
F
T
Q
V
N
F
M
D
------------------------
S
V
G
V
-
K
T
L
A
G
I
V
------
K
E
Y
G
D
V
----
G
I
Y
V
Y
L
A
G
C
S
A
Q
-
V
V
-------
N
D
L
T
S
N
R
F
-
F
E
--
N
P
A
----
L
K
E
L--------
L
----
F
H
S
I
H
D
A
V
---
L
G
S
Q
V
R
-----
E
A
------------------------------------------------------
41
Fugue
65.05
16%
-56
- C4 -
4MT0
-
?
A:
[1-445]
-------------------------
C
T
M
I
------
P
Q
Y
E
Q
P
K
V
E
V
A
E
T
---------
F
Q
N
------
D
T
S
---------------
V
-
S
S
I
R
-----
A
V
D
L
G
W
H
D
Y
F
A
-------
D
P
R
L
Q
K
L
I
D
I
A
L
-
E
R
N
T
--
S
L
R
T
A
V
L
N
S
E
I
Y
R
K
Q
Y
M
I
E
R
N
N
L
--------------
L
P
T
L
A
A
N
A
N
G
S
R
-------
Q
G
S
L
S
G
G
N
V
S
S
S
Y
-----
N
V
G
L
G
A
--
A
S
Y
E
L
D
--
L
F
-----------------------------
G
R
V
R
S
S
S
E
A
A
L
Q
G
Y
F
A
S
V
A
N
R
D
A
A
H
L
S
L
I
A
T
V
A
K
A
---------------------------
Y
F
N
E
R
Y
A
-
E
E
A
M
S
-------
L
A
Q
R
V
L
K
T
R
E
E
T
Y
N
-------------
A
V
R
I
A
V
Q
G
---
R
-
R
D
F
R
R
R
P
----
A
P
A
E
A
L
I
E
S
A
K
A
D
Y
A
H
A
A
R
S
R
E
Q
A
R
N
A
L
A
---------------
T
L
I
N
-
R
--
P
I
P
E
D
L
P
A
G
----
L
P
---------
L
D
K
--
Q
F
F
V
E
K
-----
L
P
A
G
L
----
S
S
E
V
L
L
D
R
--------------------
P
D
I
-------
R
A
A
-
E
H
A
L
K
Q
A
N
A
N
I
G
A
A
R
A
A
F
---
F
P
S
I
R
L
T
G
S
V
G
-------
T
G
S
V
E
L
G
G
L
F
K
--------------------------------------------------------------------------------------
S
G
T
G
V
W
A
F
A
P
S
---
I
T
--
L
P
I
-------
F
T
-----
W
G
T
N
K
A
N
L
D
V
A
K
L
R
Q
Q
A
Q
I
V
A
Y
E
S
A
V
----------------
Q
S
A
F
Q
D
V
A
N
A
L
A
A
R
------------------------
E
Q
L
D
-
K
A
Y
D
A
L
S
------
K
Q
--
S
R
A
S
K
E
A
L
R
L
V
G
L
R
Y
K
H
G
-
V
S
-------
G
A
L
D
L
L
D
A
E
R
S
--
S
Y
S
----
A
E
G
---------
A
----
A
L
S
A
Q
L
T
R
---
A
E
N
L
A
D
-----
L
Y
K
A
L
G
G
G
L
-
K
R
D
T
Q
T
----------------------------------------
21
HHSearch
63.35
15%
-83
* C5 *
3QE7
2
URAA_ECOLI
A:
[4-354]
------------------------
R
A
I
G
V
------
S
E
R
P
P
L
L
Q
T
I
-
P
L
---------
S
L
Q
H
L
F
A
M
F
G
A
T
---------------
V
-
L
V
P
V
-----
L
F
H
------
I
N
P
A
T
V
L
L
-
F
N
G
I
G
T
L
L
Y
L
F
I
C
K
G
K
I
--
P
A
Y
L
G
S
S
F
A
F
I
S
P
V
L
L
L
L
P
-------------------------------------------
L
G
Y
E
V
A
L
-----
G
G
F
I
M
C
--
G
V
L
F
C
L
--
V
S
F
I
V
K
K
A
G
T
G
W
L
D
V
L
F
P
P
A
--------
A
M
G
A
I
V
A
V
I
G
L
E
L
A
G
V
A
A
G
M
A
G
L
L
P
A
-
E
--
G
-------------------------------------------
Q
T
P
D
-------
S
K
T
I
I
I
S
I
T
T
L
A
V
T
-------------
V
L
G
S
V
L
F
R
---
G
----
F
-
L
A
----
I
I
P
I
L
I
G
V
L
V
G
Y
A
L
S
F
A
M
G
I
V
---
D
T
T
P
I
---------------
I
N
A
H
W
F
--
A
L
P
T
L
Y
T
P
R
----
F
E
-----------
W
--
F
A
I
L
T
I
-----
L
P
A
A
L
----
V
V
I
A
E
H
V
G
-----
H
L
-
V
V
T
A
N
I
V
K
KDLL
R
D
P
-------
G
L
H
-
R
S
M
F
A
N
G
L
S
T
V
I
S
G
F
F
G
S
---
T
P
N
T
T
Y
G
E
N
I
G
V
M
A
--
I
T
R
V
Y
S
T
W
V
I
G
G
A
A
I
-------
F
A
I
L
L
S
C
V
G
K
L
A
A
-------------
A
I
Q
M
I
P
L
P
V
M
G
G
-
V
S
L
L
L
Y
G
V
I
G
A
S
G
I
R
V
L
I
E
S
K
V
D
Y
N
K
A
Q
N
L
I
L
T
S
V
I
L
I
I
G
V
S
G
A
K
V
N
I
G
---
A
A
--
E
L
K
G
M
A
L
A
T
I
V
G
-----
I
G
L
S
L
I
F
K
L
I
S
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
59.62
25%
-111
- C3 -
3OIR
3
?
A:
[43-125]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
V
L
D
V
I
E
E
T
P
----------------
K
V
F
I
L
R
M
R
R
V
P
V
I
D
------------------------
A
T
G
M
-
H
A
L
W
E
F
Q
------
E
S
----
C
E
K
R
G
T
I
L
L
L
S
G
V
S
D
R
-
L
Y
-------
G
A
L
N
R
F
G
F
-
I
E
--
A
L
G
----
E
E
R
---------
V
----
F
D
H
I
D
K
A
L
---
A
Y
A
K
L
L
-----
V
E
T
-----------------------------------------------------
15
PsiBlast_PDB
59.28
25%
-112
- C3 -
4DGF
1
?
A:
[43-125]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
V
L
D
V
I
E
E
T
P
----------------
K
V
F
I
L
R
M
R
R
V
P
V
I
D
------------------------
A
T
G
M
-
H
A
L
W
E
F
Q
------
E
S
----
C
E
K
R
G
T
I
L
L
L
S
G
V
S
D
R
-
L
Y
-------
G
A
L
N
R
F
G
F
-
I
E
--
A
L
G
----
E
E
R
---------
V
----
F
D
H
I
D
K
A
L
---
A
Y
A
K
L
L
-----
V
E
T
-----------------------------------------------------
44
Fugue
58.33
16%
-90
- C1 -
4HU8
1
?
A:
[3-452]
---N
E
I
T
L
T
IG
Q
Q
K
D
L
A
S
M
V
----
P
A
K
F
A
------
G
Q
E
L
S
W
T
S
S
D
P
E
T
--------------------
A
---------------
S
-
V
T
D
K
-----
G
I
V
T
A
L
K
F
S
-
S
G
G
A
N
L
F
-
L
K
A
P
A
T
G
E
A
I
I
T
-
V
T
A
G
--
K
Q
S
H
S
V
K
V
I
T
T
V
K
G
K
E
D
I
E
K
L
----------------
P
P
-
L
K
D
H
F
K
D
Y
------------------------------------
F
L
I
G
--
N
I
F
N
----
N
R
D
V
S
G
S
M
M
D
N
D
------------------------------------------
W
L
A
H
---------------------------
H
Y
A
I
L
T
P
-
E
N
H
M
K
-------
P
S
N
L
T
N
N
R
-------------------------------------
N
E
----
T
T
G
E
I
T
Y
T
F
S
T
A
D
R
M
V
N
A
A
I
A
E
G
L
K
I
H
G
H
---------------
T
L
L
------
W
H
Q
Q
I
P
P
W
----
Q
R
---------
S
M
E
--
S
---
A
A
-----
K
D
A
A
L
----
S
V
M
K
K
Y
I
T
-----
E
V
-
M
T
H
Y
K
G
K
I
----
Y
S
W
-------
D
V
L
-
N
E
I
F
P
D
G
R
G
D
------------
N
W
T
T
A
M
R
P
E
N
P
W
F
--
K
S
I
G
S
D
F
V
Y
E
A
Y
L
A
A
-------
R
Q
A
D
P
N
A
I
--
L
Y
Y
-------------
N
D
Y
N
M
D
Q
A
G
K
A
A
-
L
I
A
-------
A
M
V
R
D
V
N
A
K
Y
K
Q
A
------
Y
P
R
E
T
R
L
L
I
E
G
I
G
M
Q
S
H
H
N
-----
M
--
D
V
P
A
S
N
I
R
N
T
I
N
-----
R
Y
R
E
L
G
V
-----------------
K
I
----------------
S
V
S
E
L
D
I
L
C
M
G
W
S
A
------------------------
F
R
G
S
-
T
G
Q
G
A
D
K
------
D
D
M
-
T
I
A
T
N
R
N
I
L
D
Q
A
Y
K
F
N
E
Y
-
M
K
-------
L
Y
L
E
N
S
D
I
-
I
E
--
R
V
S
M
WGV
S
D
R
YSWRSGGLP
L
----
L
F
D
A
D
N
K
A
---
K
P
A
Y
Y
S
-----
F
V
R
--
A
R
E
D
-
Y
E
A
A
K
A
----------------------------------------
39
Fugue
56.29
13%
-46
- C4 -
3MKT
-
?
A:
[2-461]
------------
E
N
S
V
H
R
Y
K
K
E
--
A
S
N
L
I
------
K
L
A
T
P
V
L
I
A
S
V
A
Q
---------
T
G
M
------
G
F
V
---------------
D
-
T
I
M
A
-----
G
G
V
S
A
--------------------------
I
D
M
A
--
A
V
S
I
A
A
S
I
W
L
P
S
I
L
F
G
V
G
L
L
M
A
L
--------------
V
P
-
V
V
A
Q
L
N
G
A
G
-------
R
Q
H
K
I
P
F
E
V
H
Q
G
L
-----
I
L
A
L
L
V
--
S
V
P
I
I
A
--
V
L
F
Q
----
T
Q
F
I
I
R
F
M
D
V
E
E
--------
A
M
A
T
K
T
V
G
Y
M
H
-------------
A
V
I
F
A
V
P
A
Y
L
L
F
Q
A
---------------------------
L
R
S
F
T
D
G
-
M
S
L
T
K
-------
P
---
A
M
V
I
G
F
I
G
L
L
-------------
L
N
I
P
L
N
W
I
---
F
V
Y
G
K
F
G
A
P
----
E
L
G
G
V
G
C
G
V
A
T
A
I
V
Y
W
I
M
L
L
L
L
L
F
Y
I
V
T
S
---------------
K
R
L
A
-
H
VK
V
F
E
T
F
H
K
P
Q
----
P
K
---------
E
L
I
--
R
L
F
R
L
G
-----
F
P
V
A
A
----
A
L
F
F
E
V
T
L
-----
F
A
-
V
V
A
L
L
V
A
P
----
L
----------
G
S
-
T
V
V
A
A
H
Q
V
A
L
N
F
S
S
L
V
F
M
---
F
P
M
S
I
G
A
A
V
S
I
R
V
G
--
H
K
L
G
E
Q
D
T
K
G
-----------------------
A
A
-------------
I
A
A
N
V
G
L
M
T
G
L
A
-
T
A
C
-------
I
T
A
L
L
T
V
L
F
R
E
Q
I
A
L
L
Y
---------------------------------------------------------
T
E
N
Q
V
V
V
A
L
A
M
Q
L
L
L
----------------
F
A
A
I
Y
Q
C
M
D
A
V
Q
V
V
------------------------
A
A
G
S
L
R
G
Y
K
D
M
T
------
A
I
F
H
R
T
F
I
S
Y
W
V
L
G
L
P
T
G
Y
I
L
G
-
M
T
-------
N
W
L
T
E
Q
P
L
-
G
A
--
K
G
F
----
W
L
G
---------
F
----
I
I
G
L
S
A
A
A
---
L
M
L
G
Q
R
-----
L
Y
W
--
L
Q
K
Q
-
S
D
D
V
Q
L
H
L
A
A
K
-----------------------------------
37
Fugue
55.34
22%
-59
- C3 -
2KLN
-
?
A:
[1-124]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
H
D
I
D
D
Y
P
Q
A
K
R
V
P
G
L
V
V
Y
R
Y
D
A
P
---
L
C
--
F
A
N
A
E
D
F
R
R
R
A
L
-----
T
V
V
D
Q
D
P
----------------
G
Q
V
----------------
E
W
F
V
L
N
A
E
S
N
V
E
V
D
------------------------
L
T
A
L
-
D
A
L
D
Q
L
R
------
T
E
L
L
R
R
----
G
I
V
F
A
M
A
R
V
K
Q
D
-
L
R
-------
E
S
L
R
A
A
S
L
-
L
D
--
K
I
G
----
E
D
H
---------
I
----
F
M
T
L
P
T
A
V
---
Q
A
F
R
R
R
-------------------------------------------------------------
28
HHSearch
53.09
16%
-70
* C3 *
1TH8
-
SP2AA_GEOSE
B:
[42-114]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
I
----------------
R
H
I
V
L
N
L
G
Q
L
T
F
M
D
------------------------
S
S
G
L
-
G
V
I
L
G
R
----------
Y
K
Q
I
K
N
V
G
G
Q
M
V
V
C
A
V
S
P
A
-
V
K
-------
R
L
F
D
M
S
G
L
-
F
K
---------
I
I
R
---------
V
----
E
A
D
E
Q
F
A
L
---
Q
A
L
G
V
A
-------------------------------------------------------------
6
PsiBlast_PDB
52.38
28%
4
- C3 -
2NXC
-
PRMA_THET8
A:
[60-187]
-------------------------------------
L
E
A
W
R
R
D
L
K
P
A
LAPP
F
V
V
L
A
P
W
H
------
T
W
E
---------------
G
-
A
E
I
P
L
V
I
EP
G
------------------
G
H
H
E
T
T
R
L
A
L
K
-
A
L
A
R
--
H
L
R
P
G
D
-
K
V
L
D
L
G
T
G
S
G
V
L
A
I
A
A
--------------
E
K
-
L
G
G
K
A
L
G
V
D
IDPMV
L
P
Q
A
E
A
N
A
K
R
N
G
V
R
P
-----
R
F
L
E
G
S
LE
A
A
L
P
F
G
--
P
F
D
L
----
L
V
A
N
L
Y
A
E
L
H
A
A
--------
L
A
P
R
Y
R
E
A
L
V
P
G
G
R
A
L
L
T
G
I
L
K
D
R
A
P
L
V
R
E
A
M
A
G
A
G
F
R
---------------------------
P
L
E
E
A
A
E
-
G
E
W
V
L
-------
L
A
Y
G
R
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
52.23
28%
2
- C3 -
1UFK
-
PRMA_THET8
A:
[60-187]
-------------------------------------
L
E
A
W
R
R
D
L
K
P
A
LAPP
F
V
V
L
A
P
W
H
------
T
W
E
---------------
G
-
A
E
I
P
L
V
I
E
P-------------------
G
H
H
E
T
T
R
L
A
L
K
-
A
L
A
R
--
H
L
R
P
G
D
-
K
V
L
D
L
G
T
G
S
G
V
L
A
I
A
A
--------------
E
K
-
L
G
G
K
A
L
G
V
D
IDPMV
L
P
Q
A
E
A
N
A
K
R
N
G
V
R
P
-----
R
F
L
E
G
S
LE
A
A
L
P
F
G
--
P
F
D
L
----
L
V
A
N
L
Y
A
E
L
H
A
A
--------
L
A
P
R
Y
R
E
A
L
V
P
G
G
R
A
L
L
T
G
I
L
K
D
R
A
P
L
V
R
E
A
M
A
G
A
G
F
R
---------------------------
P
L
E
E
A
A
E
-
G
E
W
V
L
-------
L
A
Y
G
R
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
52.04
28%
1
- C3 -
2NXN
-
PRMA_THET8
A:
[60-187]
-------------------------------------
L
E
A
W
R
R
D
L
K
P
A
L
A
P
P
F
V
V
L
A
P
W
H
------
T
W
E
---------------
G
-
A
E
I
P
L
V
I
EP
G
M
A
---------------
T
G
H
H
E
T
T
R
L
A
L
K
-
A
L
A
R
--
H
L
R
P
G
D
-
K
V
L
D
L
G
T
G
S
G
V
L
A
I
A
A
--------------
E
K
-
L
G
G
K
A
L
G
V
D
IDPMV
L
P
Q
A
E
A
N
A
K
R
N
G
V
R
P
-----
R
F
L
E
G
S
LE
A
A
L
P
F
G
--
P
F
D
L
----
L
V
A
N
L
Y
A
E
L
H
A
A
--------
L
A
P
R
Y
R
E
A
L
V
P
G
G
R
A
L
L
T
G
I
L
K
D
R
A
P
L
V
R
E
A
M
A
G
A
G
F
R
---------------------------
P
L
E
E
A
A
E
-
G
E
W
V
L
-------
L
A
Y
G
R
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
51.94
28%
-0
- C3 -
2NXJ
-
PRMA_THET8
A:
[60-187]
-------------------------------------
L
E
A
W
R
R
D
L
K
P
A
L
APP
F
V
V
L
A
P
W
H
------
T
W
E
---------------
G
-
A
E
I
P
L
V
I
E
P
G
------------------
G
H
H
E
T
T
R
L
A
L
K
-
A
L
A
R
--
H
L
R
P
G
D
-
K
V
L
D
L
G
T
G
S
G
V
L
A
I
A
A
--------------
E
K
-
L
G
G
K
A
L
G
V
D
IDPMV
L
P
Q
A
E
A
N
A
K
R
N
G
V
R
P
-----
R
F
L
E
G
S
LE
A
A
L
P
F
G
--
P
F
D
L
----
L
V
A
N
L
Y
A
E
L
H
A
A
--------
L
A
P
R
Y
R
E
A
L
V
P
G
G
R
A
L
L
T
G
I
L
K
D
R
A
P
L
V
R
E
A
M
A
G
A
G
F
R
---------------------------
P
L
E
E
A
A
E
-
G
E
W
V
L
-------
L
A
Y
G
R
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
51.72
28%
-17
- C3 -
2NXE
-
PRMA_THET8
A:
[60-187]
-------------------------------------
L
E
A
W
R
R
D
L
K
P
A
LAPP
F
V
V
L
A
P
W
H
------
T
W
E
---------------
G
-
A
E
I
P
L
V
I
E
P
G
M
A
F
G
-------------
T
G
H
H
E
T
T
R
L
A
L
K
-
A
L
A
R
--
H
L
R
P
G
D
-
K
V
L
D
L
G
T
G
S
G
V
L
A
I
A
A
--------------
E
K
-
L
G
G
K
A
L
G
V
D
IDPMV
L
P
Q
A
E
A
N
A
K
R
N
G
V
R
P
-----
R
F
L
E
G
S
LE
A
A
L
P
F
G
--
P
F
D
L
----
L
V
A
N
L
Y
A
E
L
H
A
A
--------
L
A
P
R
Y
R
E
A
L
V
P
G
G
R
A
L
L
T
G
I
L
K
D
R
A
P
L
V
R
E
A
M
A
G
A
G
F
R
---------------------------
P
L
E
E
A
A
E
-
G
E
W
V
L
-------
L
A
Y
G
R
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
51.68
28%
-8
- C3 -
3CJR
1
PRMA_THET8
A:
[60-187]
-------------------------------------
L
E
A
W
R
R
D
L
K
P
A
LAPP
F
V
V
L
A
P
W
H
------
T
W
E
---------------
G
-
A
E
I
P
L
V
I
EP
G
M
A
F
G
-------------
T
G
H
H
E
T
T
R
L
A
L
K
-
A
L
A
R
--
H
L
R
P
G
D
-
K
V
L
D
L
G
T
G
S
G
V
L
A
I
A
A
--------------
E
K
-
L
G
G
K
A
L
G
V
D
IDPMV
L
P
Q
A
E
A
N
A
K
R
N
G
V
R
P
-----
R
F
L
E
G
S
LE
A
A
L
P
F
G
--
P
F
D
L
----
L
V
A
N
L
Y
A
E
L
H
A
A
--------
L
A
P
R
Y
R
E
A
L
V
P
G
G
R
A
L
L
T
G
I
L
K
D
R
A
P
L
V
R
E
A
M
A
G
A
G
F
R
---------------------------
P
L
E
E
A
A
E
-
G
E
W
V
L
-------
L
A
Y
G
R
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
50.85
28%
-9
- C3 -
3CJQ
1
PRMA_THET8
A:
[60-187]
-------------------------------------
L
E
A
W
R
R
D
L
K
P
A
LAPP
F
V
V
L
A
P
W
H
------
T
W
E
---------------
G
-
A
E
I
P
L
V
I
E
P
G
M
A
F
G
-------------
T
G
H
H
E
T
T
R
L
A
L
K
-
A
L
A
R
--
H
L
R
P
G
D
-
K
V
L
D
L
G
T
G
S
G
V
L
A
I
A
A
--------------
E
K
-
L
G
G
K
A
L
G
V
D
IDPMV
L
P
Q
A
E
A
N
A
K
R
N
G
V
R
P
-----
R
F
L
E
G
S
LE
A
A
L
P
F
G
--
P
F
D
L
----
L
V
A
N
L
Y
A
E
L
H
A
A
--------
L
A
P
R
Y
R
E
A
L
V
P
G
G
R
A
L
L
T
G
I
L
K
D
R
A
P
L
V
R
E
A
M
A
G
A
G
F
R
---------------------------
P
L
E
E
A
A
E
-
G
E
W
V
L
-------
L
A
Y
G
R
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------