@TOME V2.3
(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 : bsu30050: (2016-07-19 )
MSSKLLRGTFVLTLGTYISRILGMVYLIPFSIMVGATGGALFQYGYNQYTLFLNIATMGFPAAVSKFVSKYNSKGDYETSRKMLKAGMSVMLVTGMIAFFILYLSAPMFAEISLGGKDNNGLTIDHVVYVIRMVSLALLVVPIMSLVRGFFQGHQMMGPTAVSQVVEQIVRIIFLLSATFLILKVFNGGLVIAVGYATFAALIGAFGGLVVLYIYWNKRKGSLLAMMPNTGPTANLSYKKMFFELFSYAAPYVFVGLAIPLYNYIDTNTFNKAMIEAGHQAISQDMLAILTLYVQKLVMIPVSLATAFGLTLIPTITESFTSGNYKLLNQQINQTMQTILFLIIPAVVGISLLSGPTYTFFYGSESLHPELGANILLWYSPVAILFSLFTVNAAILQGINKQKFAVVSLVIGVVIKLVLNVPLIKLMQADGAILATALGYIASLLYGFIMIKRHAGYSYKILVKRTVLMLVLSAIMGIAVKIVQWVLGFFISYQDGQMQAAIVVVIAAAVGGAVYLYCGYRLGFLQKILGRRLPGFFRKGRHAG
Atome Classification :
(17 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..---
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-----MSSK
L
L
R
G
T
F
V
L
T
L
G
-
T
Y
I
S
R
I
L
---
G
M
V
Y
L
I
P
F
S
I
----
M
VGA--TG
G
A
L
F
Q
YGY
N
Q
-
Y
T
L
F
L
N
IA-T---M--G
F
P
A
A
V
S
K
F
V
S
K
YNSKGD
Y
E
T
S
R
K
M
L
K
AG
M
S
V
M
L
V
T
G
M
I
A
F
F
----
I
L
Y
LSAP
M
F
A
E
I
S
LGGKDNN
G
L
T
I
D
H
---------
V
V
Y
V
-
I
R
M
V
S
-----
L
-----
A
L
L
V
V
P
I
M
S
L
V
R
----
G
F
FQGHQ--MM
G
P
T
A
---
V
S
Q
V
V
E
Q
I
V
R
-------------
I
I
F
L
L
S
A
T
F
-------
L
I
L
K
VFNG
G
L
-------
V
I
A
V
G
Y
A
T
F
A
A
L
I
G
AFG--------------
G
L
V
V
L
Y
I
--
Y
-
W
NKRK
G
S
L
L
A
MMPNTGPTAN
L
S
Y
K
K
M
F
F
E
L
F
S
YA
A
P
Y
V
F
V
G
L
A
-
I
P
L
Y
----
N
YIDTN
T
F
N
K
A
M
I
E
A
G
H
Q
-
A
I
S
Q
D
M
L
A
I
L
T
L
Y
V
Q
K
L
V
M
I
P
V
S
L
A
T
A
F-G
L
T
L
I
P
T
I
T
E
SFTSG
N
Y
K
L
L
----
N
Q
Q
I
N
Q
-
T
M
Q
T
I
L
-----
F
L
I
I
P
A
V
V
G
I
S
LLSGP
T
--
Y
T
F
F
YGS-E---SLHPE---LGA
N
I
L
L
W
YS
P
V
-------
A
I
L
F
S
L
F
T
V
N
A
A
I
L
QGINK
Q
K
F
A
V
V
S
L
V
I
G
-
V
-
V
-
I
K
-
L
V
LN
V
P
L
I
-------
K
--
L
--MQAD
G
A
I
L
A
T
A
L
G
Y
I
A
S
L
L
Y
G
F
I
M
I
KRHAGY
S
Y
K
I
L
V
K
R
T
V
L
M
L
V
L
S
A
I
M
G
I
A
V
K
I
-
V
Q
W
V
L
G
F
F
ISYQDGQ
M
Q
A
A
I
V
V
V
I
A
A
AVG
G
A
V
Y
L
Y
CG
Y
R
L
G
F
L
Q
K
I
L
G
RRL
P
G
F
F
R
KGRHAG---
16
Fugue
73.97
19%
-86
* C2 *
3CB4
-
LEPA_ECOLI
A:
[1-555]
------
M
K
N
I
R
N
F
S
I
I
A
H
I
S
-
T
L
S
D
R
I
I
---
Q
I
C
G
G
Q
S
V
T
L
----
D
Y
K
A
--
S
D
G
-------
E
T
-
Y
Q
L
N
F
-
I
D
-
T
---
P
--
G
------------
H
V
D
F
S
Y
E
V
S
R
S
L
A
A
C
E
G
A
L
L
V
V
D
A
G
Q
G
---------
V
E
A
Q
T
L
A
N
C
Y
T
A
M
E
M
D
L
-----
E
---------
V
V
P
V
-
L
N
K
I
D
-----
L
PAAD
P
E
R
V
A
E
E
I
E
D
I
V
G
----
I
D
A
T
D
A
V
--
R
C
S
A
K
T
GVG
V
Q
D
V
L
E
R
L
V
R
D
IP
P
P
E
G
D
PEGP
L
Q
A
L
I
I
D
S
W
F
D
NYL
G
V
V
S
L
I
R
I
K
N
G
T
L
R
K
G
D
K
V
K
V
M
S
T
G
Q
T
Y
N
A
D
R
L
G
I
F
T
PK
Q
V
D
R
TELKCG
E
V
G
W
L
V
C
A
I
KD
I
-
H
G
A
P
V
G
D
T
L
T
L
A
R
N
P
A
E
K
A
L
P
G
F
K
K
--------
V
K
P
Q
V
Y
A
G
L
F
-
P
V
------
S
S
D
D
Y
E
A
F
R
D
A
L
G
K
L
S
L
N
-
D
A
S
------
L
F
Y
E
P
E
S
S
S
A
L
G
F
G
F
R
C
G
F
L
G
L
L
H
M
E
I
I
Q
E
R
L
E
R
E
Y
--------
D
L
D
L
I
T
-
T
A
P
T
V
V
-----
Y
E
V
E
T
T
S
R
E
V
I
Y
V
D
S
P
S
KL
P
A
V
N
N
I
Y
-
E
---
L
R
E
P
I
---
A
E
C
H
M
L
L
P
Q
A
Y
L
-------
G
N
V
I
T
L
C
V
E
K
R
G
V
Q
T
N
M
V
Y
H
---------
G
-
N
-
Q
-
V
A
-
L
T
Y
E
I
P
M
A
-------
E
--
V
--
V
L
D
F
F
D
R
L
K
S
T
S
R
G
Y
A
S
L
D
Y
N
F
K
R
F
Q
A
S
D
M
V
R
V
D
V
L
I
N
G
E
R
V
D
A
L
--
A
L
I
T
H
R
D
N
S
-
Q
N
R
G
R
E
L
V
E
K
M
K
D
L
I
P
R
Q
Q
F
D
I
A
I
Q
A
A
I
G
T
--------------
H
I
I
A
R
S
T
V
K
Q
L
R
K
N
V
L
A
K
C
Y
G
14
Fugue
72.73
19%
-47
- C3 -
4TQT
8
?
A:
[14-490]
------
A
S
K
V
I
K
G
G
T
V
I
T
A
D
R
T
F
R
A
D
I
L
I
E
D
G
K
I
A
A
I
G
D
S
L
E
G
D
E
V
I
D
A
--
S
G
C
Y
V
M
P
G
G
I
D
P
-
H
T
-
H
L
Q
M
P
-
F
---
M
--
G
-----------
T
Y
S
S
D
D
F
D
T
G
T
A
A
A
L
A
G
G
T
T
M
V
V
D
F
V
L
P
D
S
----
E
G
N
L
L
D
A
L
Q
E
W
F
Q
K
A
G
K
A
R
T
----
D
Y
---------
S
F
H
M
-
A
I
T
G
W
-----
N
-----
E
R
T
F
N
E
M
A
E
V
V
K
----
R
G
I
N
T
F
H
--
F
M
A
Y
K
G
---
A
L
M
V
N
D
D
E
M
F
-------------
A
S
F
Q
R
C
A
E
L
-------------------------------------
G
A
M
P
--------------
L
V
H
A
E
N
G
--
D
-
I
V
A
Q
L
Q
A
K
L
M
A
E
G
N
D
G
P
E
A
H
A
Y
S
R
P
P
E
V
E
G
E
A
T
N
R
A
I
M
I
A
D
Q
A
G
V
P
L
Y
V
V
HV
S
C
E
Q
S
H
E
A
I
R
R
A
R
Q
K
G
M
R
-
V
F
G
E
P
L
I
Q
H
L
T
L
D
E
S
E
Y
H
--
N
R
D
W
D
Y
A
A
-
R
R
V
M
S
P
P
F
R
D
K
L
---
N
Q
D
S
L
----
W
A
G
L
A
A
G
S
L
Q
C
V
A
T
D
H
C
A
F
T
T
E
Q
K
R
Y
G
I
G
N
F
T
K
I
P
--
N
----
G
T
-
G
---
G
L
E
E
------
R
M
P
V
L
W
T
R
G
V
RTGRLT
P
N
E
F
V
A
V
T
S
T
N
I
A
K
I
L
N
I
Y
P
Q
K
G
A
V
V
P
---
G
-
A
-
D
-
A
D
-
L
V
I
W
D
P
E
T
-------
T
--
K
--
K
-
I
S
A
K
T
Q
H
S
S
I
D
Y
--
N
V
F
E
G
F
E
L
K
----
G
L
P
I
M
T
L
S
R
G
-------------------------
R
I
A
F
D
K
G
Q
V
T
A
K
P
--------
G
D
G
R
F
I
E
R
E
P
N
G
A
V
N
R
A
L
S
Q
W
K
E
I
V
A
P
R
K
V
E
R
S
A
---
5
HHSearch
68.31
14%
-141
- C3 -
5C6N
-
?
A:
[17-441]
-------
K
L
L
R
S
L
S
I
P
A
M
I
G
-
M
F
V
M
A
L
Y
---
N
V
V
N
T
I
F
I
S
Y
----
A
V
G
I
--
E
G
V
A
G
V
T
I
A
F
P
I
-
M
M
I
M
M
S
M
A
G
A
---
L
G
I
G
G
A
S
V
I
S
R
R
L
G
E
R
----
R
G
E
E
A
N
Q
V
F
G
N
I
L
T
V
I
L
V
L
S
V
I
G
F
I
----
S
A
F
T
L
L
G
P
A
L
Q
L
F
G
-
A
T
S
---
V
T
Q
G
Y
---------
A
T
D
Y
-
L
F
P
I
L
-----
L
-----
G
S
I
F
F
F
F
A
F
A
A
N
----
N
I
I
R
S
E
G
--
N
A
T
F
A
M
---
V
T
M
I
V
P
A
V
L
N
-------------
I
L
L
D
V
L
F
I
F
-------
G
L
-------
N
-------
M
G
V
L
-
G
A
S
I
A
T
V
I
A
Q
A
S
--------------
V
T
G
L
V
L
R
--
Y
-
F
L
T
G
K
S
T
L
S
L
H
-----
W
S
D
L
R
M
K
G
S
V
I
K
E
V
C
L
V
G
L
P
A
F
V
Q
Q
S
S
-
A
S
L
M
----
M
I
A
I
N
S
M
L
L
R
F
G
---------
S
D
F
Y
V
G
V
F
G
L
V
Q
R
-
I
M
M
F
V
M
M
P
M
M
G
I
-
M
Q
A
M
Q
P
I
V
G
Y
N
Y
G
A
K
Q
Y
S
R
L
----
R
E
T
V
M
L
-
G
F
K
V
A
T
-----
I
F
S
I
G
I
F
A
L
L
M
L
F
P
E
A
L
--
L
R
V
F
T
A
D
R
E
---
V
I
Q
-----
A
G
V
S
A
M
H
I
L
F
C
V
-------
T
F
L
I
G
A
Q
I
V
A
G
G
L
Y
Q
S
L
G
K
P
K
Q
A
L
I
L
S
L
S
R
-
Q
-
I
-
I
F
L
I
P
L
V
L
I
L
P
-------
H
--
I
--
F
G
L
S
G
V
W
W
A
F
P
I
A
D
V
L
S
F
I
L
T
V
V
L
L
Y
R
D
----------------------------------------------------------------------------------------------
6
HHSearch
60.68
12%
-148
- C3 -
3W4T
9
?
A:
[17-449]
------
K
K
A
I
V
R
L
S
I
A
M
M
I
G
-
M
S
V
Q
T
L
Y
---
N
L
A
D
G
I
W
V
-
S
----
G
L
G
P
--
E
S
L
A
A
V
G
L
F
F
P
V
-
F
M
G
I
I
A
L
A
-----
A
--
G
L
G
V
G
T
S
S
A
I
A
R
R
I
G
A
R
D
K
E
G
A
D
N
V
A
V
H
S
L
I
L
S
L
I
L
G
V
T
I
T
I
----
T
M
L
P
A
I
D
S
L
F
R
S
M
G
-
A
K
G
---
E
A
V
E
L
---------
A
I
E
Y
-
A
R
V
L
L
-----
A
-----
G
A
F
I
I
V
F
N
N
V
G
N
----
G
I
L
R
G
E
G
--
D
A
N
R
A
M
---
L
A
M
V
L
G
S
G
L
N
-------------
I
V
L
D
P
I
F
I
Y
-------
T
L
-------
G
-------
F
G
V
V
-
G
A
A
Y
A
T
L
L
S
M
V
V
--------------
T
S
L
F
I
A
Y
--
W
L
F
V
K
R
D
T
Y
V
D
I
T
-----
L
R
D
F
S
P
S
R
E
I
L
K
D
I
L
R
V
G
L
P
S
S
L
S
Q
L
S
-
M
S
I
A
----
M
F
F
L
N
S
V
A
I
T
A
G
G
---------
E
N
G
V
A
V
F
T
S
A
W
R
-
I
T
M
L
G
I
V
P
I
L
G
M
-
A
A
A
T
T
S
V
T
G
A
A
Y
G
E
R
N
V
E
K
L
----
E
T
A
Y
L
Y
-
A
I
K
I
A
F
-----
M
I
E
L
A
V
V
A
F
I
M
L
F
A
P
Q
V
--
A
Y
L
F
T
Y
----------
V
I
K
G
D
L
I
S
A
L
R
T
L
P
V
F
-------
L
V
L
T
P
F
G
M
M
T
S
A
M
F
Q
G
I
G
E
G
E
K
S
L
I
L
T
I
F
R
T
L
-
V
-
M
Q
-
V
G
F
A
Y
I
F
V
-------
H
Y
T
T
--
L
G
L
R
G
V
W
I
G
I
V
I
G
N
M
V
A
A
I
V
G
F
L
W
G
R
M
R
I
S
--------------------------------------------------------------------------------------------
3
HHSearch
58.16
13%
-197
- C3 -
4Z3N
7
?
A:
[30-456]
-------
K
L
L
L
R
M
A
L
P
M
F
V
G
-
M
L
T
Q
V
T
Y
---
A
I
A
D
I
F
W
L
S
H
----------
G
I
I
A
G
V
G
L
V
F
P
V
-
G
M
G
L
F
A
I
--
A
---
N
--
G
I
Q
I
G
M
G
S
L
L
S
R
A
I
G
M
Q
R
L
D
R
A
Q
R
I
L
S
V
G
I
I
I
A
L
F
F
A
I
V
I
T
V
----
L
G
Y
V
Y
A
Q
P
L
L
R
S
L
G
-
A
T
K
---
S
I
I
G
Y
---------
A
T
E
F
-
Y
Y
Y
S
L
-----
L
-----
T
V
F
S
I
M
L
I
G
V
M
M
----
G
L
F
Q
G
A
G
--
K
I
M
V
I
M
---
K
A
S
L
L
G
A
L
V
N
-------------
I
M
L
D
P
I
M
I
F
-------
V
F
D
---
F
G
V
K
------------
G
V
A
L
A
S
F
L
A
Q
L
S
--------------
M
V
A
Y
F
I
Y
--
T
-
L
M
G
-------------------
S
W
K
I
Y
R
E
F
L
S
V
G
M
A
Q
M
L
M
Q
L
I
-
I
A
V
G
----
I
V
I
Y
N
F
F
I
V
R
L
-
D
---------
V
N
A
M
A
A
F
T
L
T
G
R
-
I
D
Y
F
I
I
T
P
M
L
A
I
-
A
T
A
L
L
T
V
V
G
Q
N
W
G
H
G
N
V
T
R
T
----
L
N
A
Y
W
A
-
A
V
A
L
A
F
-----
S
I
V
L
V
L
A
V
M
H
I
V
L
A
P
W
M
--
Y
P
L
F
T
R
V
-
V
A
V
-
S
-
D
-----
Y
A
V
L
Q
T
R
I
M
A
L
A
-------
L
P
F
V
A
I
S
L
L
A
S
E
Y
Y
Q
A
I
G
K
P
W
Y
S
V
L
L
T
L
M
R
-
H
V
F
-
I
S
-
V
P
V
V
Y
L
L
A
IV-----
L
--
E
--
M
R
I
T
G
V
Y
F
G
A
M
S
G
T
F
V
A
A
L
L
A
W
R
L
L
R
L
-----------------------------------------------------------------------------------------------
19
Fugue
55.76
13%
-123
* C3 *
3MKT
-
?
A:
[2-461]
ENS
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
VS
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
V
K
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
--------
11
HHSearch
55.69
22%
-187
- C3 -
5C6N
-
?
A:
[12-209]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
E
A
I
P
K
L
L
R
S
L
S
I
P
A
M
I
G
M
F
V
-
M
A
L
Y
----
N
V
V
N
T
I
F
I
S
Y
A
V
G
---------
I
E
G
V
A
G
V
T
I
A
F
P
-
I
M
M
I
M
M
S
M
A
G
A
L
-
G
I
G
G
A
S
V
I
S
R
R
L
G
E
R
R
G
E
E
A
----
N
Q
V
F
G
N
-
I
L
T
V
I
L
-----
V
L
S
V
I
G
F
I
S
A
F
T
L
L
G
P
A
--
L
Q
L
-
F
G
A
-
T
---
S
V
T
Q
G
---
Y
A
T
D
Y
L
F
P
I
L
L
G
-------
S
I
F
F
F
F
A
F
A
A
N
N
I
I
R
S
E
G
N
A
T
F
A
M
V
T
M
I
V
P
-
A
-
V
-
L
N
-
I
L
L
D
V
L
F
I
FG-----
L
--
N
--
M
G
V
L
G
A
S
I
A
T
V
I
A
Q
A
S
V
---------------------------------------------------------------------------------------------------------
17
Fugue
53.35
18%
-51
- C2 -
4XI6
4
MIB1_HUMAN
A:
[1-378]
-----------
S
R
V
M
V
E
G
V
G
-
A
R
V
V
R
---------------------------
G
P
D
W
K
W
G
K
Q
D
--------
G
-
G
---
E
--
G
H
V
G
T
V
R
S
F
E
S
P
-------
E
E
V
V
V
V
W
D
N
G
T
A
A
N
Y
R
C
S
G
A
Y
D
L
----
R
I
L
D
S
A
P
T
-------
G
I
K
H
D
G
T
M
C
D
T
---------
C
R
Q
Q
P
I
I
G
I
R
-----
W
-----
K
C
A
E
C
T
N
Y
D
L
C
T
----
V
C
Y
H
G
D
K
------------
H
H
L
R
H
R
F
Y
R
-------------
I
T
T
P
G
S
E
R
V
-------
L
L
E
S
R
R
K
S
K
K
-------
I
T
A
R
G
I
F
A
--------
G
--------------
A
R
V
V
R
G
V
--
D
-
W
Q
---------
W
E
D
Q
D
G
G
N
G
R
R
G
K
V
T
E
I
Q
D
W
S
A
S
S
P
H
---
S
A
A
-
Y
V
L
W
----
D
N
G
A
K
N
L
Y
R
V
-----
G
F
E
-
G
M
S
-
D
L
K
C
V
Q
D
A
K
G
G
S
F
Y
R
D
H
C
P
V
L
G
L
V
-
N
I
D
L
D
L
E
I
V
Q
S
L
Q
H
G
H
G
G
W
-----
T
D
G
M
F
E
-
T
L
T
T
T
----------
G
T
V
C
G
I
D
--
E
D
H
D
--
I
V
V
Q
Y
P
S
-
G
---
N
-------------------------------
R
W
T
F
N
P
A
V
L
T
K
A
S
Q
F
Q
-------
V
G
-
D
-
L
-
V
Q
-
V
C
Y
D
L
E
R
I
-------
K
--
L
--
L
Q
R
G
-----------------------
H
G
E
W
A
E
A
M
L
P
T
-----------
L
G
K
V
G
R
V
-
Q
Q
I
-------
Y
S
D
S
D
L
K
V
E
V
---------------
C
G
T
S
W
T
Y
N
P
A
A
V
S
K
V
---------------
4
HHSearch
53.25
15%
-145
- C3 -
3MKT
-
?
A:
[13-448]
-------
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
V
K
---
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
QVV
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
TNWLTE
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
---------------------------------------------------------------------------------------------
10
HHSearch
51.64
17%
-174
- C3 -
3W4T
8
?
A:
[13-216]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
G
D
P
K
K
A
I
V
R
L
S
I
A
M
M
I
G
M
S
V
-
Q
T
L
Y
----
N
L
A
D
G
I
W
V
S
G
-
L
G
---------
P
E
S
L
A
A
V
G
L
F
F
P
-
V
F
M
G
I
I
A
L
A
A
G
L
-
G
V
G
T
S
S
A
I
A
R
R
I
G
A
R
D
K
E
G
A
----
D
N
V
A
V
H
-
S
L
I
L
S
L
-----
I
L
G
V
T
I
T
I
T
M
L
P
A
I
D
S
L
--
F
R
S
-
M
G
A
-
K
---
G
-
E
A
V
E
--
L
A
I
E
Y
A
R
V
L
L
A
G
-------
A
F
I
I
V
F
N
N
V
G
N
G
I
L
R
G
E
G
D
A
N
R
A
M
L
A
M
V
L
G
-
S
-
G
-
L
N
-
I
V
L
D
P
I
F
I
-------
Y
TL
G
--
F
G
V
V
G
A
A
Y
A
T
L
L
S
M
V
V
T
S
L
-------------------------------------------------------------------------------------------------------
2
HHSearch
51.58
12%
-147
- C3 -
5C6P
1
?
A:
[14-446]
-------
R
L
L
T
A
L
A
L
P
M
L
L
A
-
Q
V
A
Q
V
G
I
---
G
F
V
D
T
V
M
A
G
G
-----
A
G
K
--
E
D
L
A
A
V
A
L
G
S
S
A
-
F
A
T
V
Y
-
I
T
-
F
---
M
--
G
I
M
A
A
L
N
P
M
I
A
Q
L
Y
G
A
G
K
T
G
E
A
G
E
T
G
R
Q
G
I
W
F
G
L
I
L
G
I
F
G
M
I
----
L
M
W
A
A
I
T
P
F
R
N
W
L
T
-
L
S
D
---
Y
V
E
G
T
---------
M
A
Q
Y
-
M
L
F
T
S
-----
L
-----
A
M
P
A
A
M
V
H
R
A
L
H
----
A
Y
A
S
S
L
N
--
R
P
R
L
I
M
---
L
V
S
F
A
A
F
V
L
N
-------------
V
P
L
N
Y
I
F
V
Y
-------
G
K
F
---
G
M
P
A
-------
L
G
G
A
-
G
C
G
V
A
T
M
A
V
F
W
F
--------------
S
A
L
A
L
W
I
--
Y
-
I
A
K
E
K
F
F
R
P
F
G
---
L
T
A
K
F
G
K
P
D
W
A
V
F
K
Q
I
W
K
I
G
A
P
I
G
L
S
Y
F
L
-
E
A
S
A
----
F
S
F
I
V
F
L
I
A
P
F
-
G
---------
E
D
Y
V
A
A
Q
Q
V
G
I
S
-
L
S
G
I
L
Y
M
I
P
Q
S
V
-
G
S
A
G
T
V
R
I
G
F
S
L
G
R
R
E
F
S
R
A
----
R
Y
I
S
G
V
-
S
L
V
S
G
W
-----
V
L
A
V
I
T
V
L
S
L
V
L
F
R
S
P
L
--
A
S
M
-
Y
N
D
-
D
PAV
L
-
S
-----
I
A
S
T
V
L
L
F
A
G
L
F
-------
Q
P
A
D
F
T
Q
C
I
A
S
Y
A
L
R
G
Y
K
V
T
K
V
P
M
F
I
H
A
A
A
-
F
-
W
G
C
G
-
L
L
P
G
Y
L
L
A
-------
Y
--
R
FD
M
G
I
Y
G
F
W
T
A
L
I
A
S
L
T
I
A
A
V
A
L
V
W
C
L
E
K
Y
S
M
--------------------------------------------------------------------------------------------
8
HHSearch
47.52
18%
-169
- C3 -
3MKT
-
?
A:
[8-215]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
YGKFG
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
-------------------------------------------------------------------------------------------------
7
HHSearch
38.24
17%
-188
- C3 -
5C6P
1
?
A:
[8-219]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
F
L
K
E
I
R
L
L
T
A
L
A
L
P
M
L
L
A
Q
V
A
-
Q
V
G
I
----
G
F
V
D
T
V
M
A
G
G
-
A
G
---------
K
E
D
L
A
A
V
A
L
G
S
S
-
A
F
A
T
V
Y
I
T
F
M
G
I
-
M
A
A
L
N
P
M
I
A
Q
L
Y
G
A
G
K
T
G
E
A
----
G
E
T
G
R
Q
-
G
I
W
F
G
L
-----
I
L
G
I
F
G
M
I
L
M
W
A
A
I
T
P
F
--
R
N
W
L
T
L
S
-
D
---
Y
V
E
G
----
T
M
A
Q
Y
M
L
F
T
S
L
A
-------
M
P
A
A
M
V
H
R
A
L
H
A
Y
A
S
S
L
N
R
P
R
L
I
M
L
V
S
F
A
A
-
F
-
V
-
L
N
-
V
P
L
N
Y
I
F
V
Y
GKFGM-
P
--
A
--
L
G
G
A
G
C
G
V
A
T
M
A
V
F
W
F
S
A
L
A
L
W
I
Y
I
A
K
-----------------------------------------------------------------------------------------------
13
Fugue
32.83
17%
-52
- C3 -
4YDD
9
?
B:
[5-333]
---------
M
K
A
P
R
R
Q
L
T
Y
V
-
T
D
L
N
K
C
I
---
G
C
Q
-----------
T
C
T
V
--
A
C
K
K
L
W
T
T
G
P
G
Q
D
F
M
Y
W
R
N
V
E
-
T
A
PG
L
--
G
Y
P
-------
R
N
W
Q
T
K
G
G
G
Y
K
N
G
E
L
Q
K
G
K
I
P
P
M
I
D
Y
G
I
P
F
E
F
D
Y
A
G
R
L
F
E
G
K
P
G
R
V
R
P
S
P
T
P
R
S
A
P
N
W
D
E
D
Q
G
A
G
E
Y
PN
N
S
F
F
Y
L
-
P
R
M
C
N
HCTKP
A
-----
C
L
E
A
C
P
N
E
A
I
Y
K
R
EQD
G
I
V
V
I
H
Q
DK
C
K
G
A
Q
A
---
C
V
Q
S
C
--
P
Y
A
-------------
K
P
Y
F
N
P
L
T
N
-------
K
A
N
K
C
I
G
C
F
P
-------
R
I
E
Q
G
V
A
P
-
A
C
V
A
Q
C
V
G
--------------
R
--
A
M
H
V
--
G
-
F
V
D
D
V
N
S
S
V
Y
K
L
I
K
Q
Y
K
V
A
L
P
L
H
P
E
F
G
T
E
P
N
V
F
Y
V
P
P
V
L
-
G
P
R
-
I
E
M
A
----
N
G
-
E
P
S
T
D
P
K
I
P
L
A
Q
L
E
G
-
L
F
G
K
Q
V
R
D
V
L
A
I
L
Q
S
E
R
E
K
K
M
K
G
L
A
S
D
L
-
M
D
V
L
I
G
R
R
S
T
D
M
M
I
S
P
L
T
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
HHSearch
26.73
14%
0
- C- -
4Z3N
3
?
A:
[24-247]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
D
G
S
L
Y
K
L
L
L
R
M
A
L
P
M
F
V
G
M
L
T
-
Q
V
T
Y
----
A
I
A
D
I
F
W
L
S
H
-------------
G
I
I
A
G
V
G
L
V
F
P
-
V
G
M
G
L
F
A
I
A
N
G
I
-
Q
I
G
M
G
S
L
L
S
R
A
I
G
M
Q
R
L
D
R
A
----
Q
R
I
L
S
V
-
G
I
I
I
A
L
-----
F
F
A
I
V
I
T
V
L
G
Y
V
Y
A
Q
P
L
--
L
R
S
L
G
A
T
-
K
SI-
I
-
G
-----
Y
A
T
E
F
Y
Y
Y
S
L
L
T
-------
V
F
S
I
M
L
I
G
V
M
M
G
L
F
Q
G
A
G
K
I
M
V
I
M
K
A
S
L
L
G
-
A
-
L
-
V
N
-
I
M
L
D
P
I
M
I
FV-----
F
--
D
--
F
G
V
K
G
V
A
L
A
S
F
L
A
Q
L
S
M
V
A
Y
F
I
Y
T
L
M
------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
24.63
26%
-80
- C1 -
2QMW
4
?
A:
[125-210]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Y
----
D
Y
V
D
S
T
I
Q
S
L
T
K
I
E
N
G
V
A
-
A
I
A
-----------------
P
L
G
S
G
E
A
Y
-
G
F
T
P
I
D
T
H
I
E
D
Y
P
H
N
V
T
R
F
L
VIKN
Q
Q
Q
F
D
Q
-
N
A
T
S
L
M
-----
F
L
I
T
P
M
H
D
K
P
G
L
L
A
S
V
L
--
N
T
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
Fugue
22.08
36%
186
- C3 -
5FML
-
?
A:
[6-24]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
S
N
D
I
S
Q
G
I
K
R
Q
R
M
T
V
E
S
M
----------------------------------------------------------------------------------------------------------------------------------------------------------