@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 : S15A1_HUMAN: (2015-12-09 )
MGMSKSHSFFGYPLSIFFIVVNEFCERFSYYGMRAILILYFTNFISWDDNLSTAIYHTFVALCYLTPILGALIADSWLGKFKTIVSLSIVYTIGQAVTSVSSINDLTDHNHDGTPDSLPVHVVLSLIGLALIALGTGGIKPCVSAFGGDQFEEGQEKQRNRFFSIFYLAINAGSLLSTIITPMLRVQQCGIHSKQACYPLAFGVPAALMAVALIVFVLGSGMYKKFKPQGNIMGKVAKCIGFAIKNRFRHRSKAFPKREHWLDWAKEKYDERLISQIKMVTRVMFLYIPLPMFWALFDQQGSRWTLQATTMSGKIGALEIQPDQMQTVNAILIVIMVPIFDAVLYPLIAKCGFNFTSLKKMAVGMVLASMAFVVAAIVQVEIDKTLPVFPKGNEVQIKVLNIGNNTMNISLPGEMVTLGPMSQTNAFMTFDVNKLTRINISSPGSPVTAVTDDFKQGQRHTLLVWAPNHYQVVKDGLNQKPEKGENGIRFVNTFNELITITMSGKVYANISSYNASTYQFFPSGIKGFTISSTEIPPQCQPNFNTFYLEFGSAYTYIVQRKNDSCPEVKVFEDISANTVNMALQIPQYFLLTCGEVVFSVTGLEFSYSQAPSNMKSVLQAGWLLTVAVGNIIVLIVAGAGQFSKQWAEYILFAALLLVVCVIFAIMARFYTYINPAEIEAQFDEDEKKNRLEKSNPYFMSGANSQKQM
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.......680.......690.......700......
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
----MGMSKS---HSFFG
Y
P
L
S
I
F
F
I
V
V
N
E
F
C
E
R
F
S
Y
Y
G
M
R
A
I
L
I
L
Y
-----
F
T
N
--FIS-----WDD-----N
L
------
S
T
A
I
----
Y
H
T
F
V
A
L
C
Y
L
T
P
I
L
G
A
L
I
A
D
S
------
W
L
G
K
F
K
T
I
V
S
L
S
I
---
V
Y
T
I
G
Q
A
V
T
S
V
SSI--------NDLTDHNHDGTPDS
L
P
V
H
V
V
L
S
L
I
G
L
A
L
I
A
LGTG
G
I
K
P
C
V
S
AFGGD
Q
F
E
E
G
Q
E
K
Q
RN
R
---
F
F
S
I
F
Y
L
A
IN
A
G
S
L
L
S
T
I
I
T
P
-
M
L
R
V
Q
Q
C----GIHSKQA
C
Y
P
L
----
A
FG
V
P
A
-----------------------
A
L
M
A
V
A
L
I
V
------------
F
V
------LG-S------
G
M
Y
-------
K
KFKPQ----------------------
G
N
---------
I
---------------------
M
G
----
K
V
A
K
-
C
I
-
G
F
----------------
A
I
K
N
R
F
------------------------
R
H
R
SKAF
P
K
R
E
---------
H
W
L
D
W
A
K
E
K
Y
D
E
R
L
I
S
----------
Q
I
K
M
-------------
V
T
R
V
M
F
LYI---
P
L
P
M
F
W
A
L
F
DQQG
S
R
W
T
L
Q
A
T
TMSG
K
----
I
G
A
L
E
IQPDQ
M
Q
T
V
N
A
I
L
I
V
I
M
V
P
I
F
D
A
V
L
Y
P
L
I
A
K
CGF
N
-----
F
----
T
S
L
K
K
M
A
V
G
M
V
L
A
S
M
A
F
V
V
A
A
I
V
Q
V
E
IDKTLPVFPKG
N
E
V
Q
I
K
V
L
NIGN
N
T
M
N
I
SLPG
E
M
V
T
LGPMSQT
N
A
F
M
T
F
DVN
K
L
T
R
I
N
------ISSPGSP-
V
T
A
V
T
D
D
F
KQGQ
R
H
T
L
L
V
WAPN
H
Y
------
Q
V
V
K
DGLNQKPEKGEN
G
I
--
R
F
V
N
TFN
E
L
I
T
I
T
M---------S
G
K
V
Y
A
N
ISSYNA
S
T
-------
Y
Q
FFPSGIK
G
F
T
ISSTEIPPQCQPNF
N
T
F
Y
L
EFG
S
A
Y
T
Y
I
----
V
QRKNDSCPE
V
K
V
F
E
DISAN
T
V
N
M
A
L
QI------
P
Q
Y
F
L
L
T
C
G
E
V
V
F
S
VTG
L
E
F
SYSQAP
S
N
M
K
S
V
L
QAG
W
L
L
T
V
AVG
N
I
I
V
L
I
VAGA
G
Q
F
S
K
Q
W
A
E
Y
I
L
F
A
A
L
L
L
V
V
C
V
I
F
A
I
M
A
R
F
Y
T
YI
N
P
A
E
I
E
A
QFD
E
D
E
K
KNRLEKSN
P
Y
F
MSGANSQKQM
31
Fugue
75.20
27%
-71
- C4 -
2XUT
-
?
A:
[13-500]
---------------------
Q
I
P
Y
I
I
A
S
E
A
C
E
R
F
S
F
Y
G
M
R
N
I
L
T
P
F
-----
L
M
T
--
A
L
L
-----
L
S
I
-----
P
E
E
L
R
G
A
V
A
K
D
V
----
F
H
S
F
V
I
G
V
Y
F
F
P
L
L
G
G
W
I
A
D
R
------
F
F
G
K
Y
N
T
I
L
W
L
S
L
---
I
Y
C
V
G
H
A
F
L
A
I
F
E
H
--------
S
-----------------
V
Q
G
F
Y
T
G
L
F
L
I
A
L
G
S
G
G
I
K
P
L
V
S
S
F
M
G
D
Q
F
D
Q
S
N
K
S
L
A
Q
K
---
A
F
D
M
F
Y
F
T
I
N
F
G
S
F
F
A
S
L
S
M
-------------
P
L
L
L
K
N
F
G
A
A
V
----
A
F
G
I
P
G
-----------------------
V
L
M
F
V
A
T
V
F
------------
F
W
------
L
G
-
R
K
R
Y
I
H
M
P
V
E
-------
G
K
G
N
I
G
----------------------
L
V
---------
L
---------------------
A
L
----
I
G
G
V
-
S
A
-
A
Y
----------------
A
L
V
N
I
P
------------------------
T
L
G
I
V
A
G
L
C
C
A
---------
M
V
L
V
M
G
F
V
G
A
G
A
S
L
Q
L
----------
E
R
A
R
KSHPD
A
A
V
D
G
V
R
S
V
L
R
I
L
V
L
F
A
---
L
V
T
P
F
W
S
L
F
D
Q
K
A
S
T
W
I
L
Q
A
N
D
M
V
K
P
-------
Q
W
F
E
P
A
M
M
Q
A
L
N
P
L
L
V
M
L
L
I
P
F
N
N
------------
F
-----
V
----
T
A
L
R
K
M
G
A
G
I
A
I
T
G
L
S
W
I
V
V
G
T
I
Q
L
M
M
D
G
G
S
A
L
S
I
F
W
Q
I
L
P
Y
A
L
L
T
F
G
E
V
L
V
S
A
T
G
L
E
F
A
Y
S
Q
A
P
K
A
M
K
G
T
I
M
S
F
W
T
L
S
V
T
V
G
N
L
-----
W
V
L
L
A
N
V
-
S
V
K
S
P
T
V
T
E
Q
I
V
Q
T
G
M
S
V
T
A
F
Q
M
F
------
F
F
A
G
F
A
I
L
A
A
I
V
F
A
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
33
Fugue
74.22
25%
-102
- C4 -
4IKW
13
?
A:
[3-494]
SID
K
Q
Q
I
A
A
S
VPQ
R
G
F
F
G
H
P
K
G
L
F
T
L
F
F
T
E
F
W
E
R
F
S
Y
Y
G
M
R
A
I
L
V
Y
Y
-----
M
Y
Y
--
E
V
S
KGGLG
L
D
E
-----
H
L
------
A
L
A
I
----
M
S
I
Y
G
A
L
V
Y
M
S
G
I
I
G
G
W
L
A
D
R
------
V
F
G
T
S
R
A
V
F
Y
G
G
L
---
L
I
M
A
G
H
I
A
L
A
I
--------------------------
P
G
G
V
A
A
L
F
V
S
M
A
L
I
V
L
G
T
G
L
L
K
P
N
V
S
S
I
V
G
D
M
Y
K
P
G
-
D
D
R
R
D
A
---
G
F
S
I
F
Y
M
G
I
N
L
G
A
F
L
A
P
L
V
V
G
-
T
A
G
M
K
--------------
Y
N
F
----
H
L
G
F
G
L
-----------------------
A
A
V
G
M
F
L
G
L
------------
V
V
------
F
V
-
A
------
T
R
K
-------
K
N
L
G
L
A
----------------------
G
T
----------------------------------------------------------------------------------------------
Y
V
P
N
P
L
T
-----------------
P
A
E
K
K
K
A
A
A
I
M
----------
A
V
G
A
-------------
V
V
I
A
V
L
L
A
I
---
L
I
P
N
G
W
-----------------------------
F
T
V
E
T
F
I
S
L
V
G
I
L
G
I
I
I
P
I
I
Y
F
V
V
M
Y
R
-----
S
P
K
-----
T
----
T
A
E
E
R
S
R
V
I
A
Y
I
P
L
F
V
A
S
A
M
F
W
A
I
Q
E
Q
G
S
T
I
L
A
N
Y
A
D
K
R
T
Q
L
D
V
A
G
I
H
L
S
------
P
A
W
F
Q
S
L
N
P
L
F
I
I
I
L
A
P
V
F
A
W
M
W
V
K
L
--------------------------
G
K
R
Q
P
-----------------------
T
I
P
Q
K
F
A
L
G
L
--
L
F
A
G
L
S
--
F
I
V
I
L
V
---------
P
G
H
L
S
G
G
------------------------------------------------------------------------------
G
L
V
H
P
I
W
L
V
------
L
S
Y
F
I
V
V
L
G
E
L
C
L
S
P
V
G
L
S
A
T
T
K
L
A
P
A
A
F
S
A
Q
T
M
S
L
W
F
L
S
N
A
A
A
Q
A
I
N
A
Q
L
V
R
F
Y
T
P
E
N
E
T
A
Y
F
G
T
I
G
G
A
A
L
V
L
G
L
I
L
L
A
I
A
P
R
I
G
R
L
-------------------------
M
K
G
-------
3
PsiBlast_PDB
74.00
29%
-120
- C4 -
4UVM
5
?
A:
[10-398]
------------------
W
P
R
Q
I
P
Y
I
I
A
S
E
A
C
E
R
F
S
F
Y
G
M
R
N
I
L
T
P
F
-----
L
M
T
AL
L
L
S
-----
I
P
E
-----
E
L
------
R
G
A
V
A
K
D
V
F
H
S
F
V
I
G
V
Y
F
F
P
L
L
G
G
W
I
A
D
R
------
F
F
G
K
Y
N
T
I
L
W
L
S
L
---
I
Y
C
V
G
H
A
F
L
A
I
--------------
F
E
H
S
V
Q
G
F
-----------
Y
T
G
L
F
L
I
A
L
G
S
G
G
I
K
P
L
V
S
S
F
M
G
D
Q
F
D
Q
S
N
K
S
L
A
Q
K
---
A
F
D
M
F
Y
F
T
I
N
F
G
S
F
F
A
S
L
S
M
P
-
L
L
L
------------
K
N
F
G
A
A
V
----
A
F
G
I
P
G
-----------------------
V
L
M
F
V
A
T
V
F
------------
F
W
------
L
G
-
R
------
K
R
Y
-------
I
H
M
P
P
E
PKDPHG
F
L
P
V
I
R
S
A
L
L
TKVEGK
G
N
---------
I
G
L
V
L
A
L
I
G
G
V
S
A
A
Y
A
L
V
N
IPT
L
G
----
I
V
A
G
L
C
C
-
A
M
----------------
V
L
V
M
G
F
------------------------
V
G
A
G
A
S
L
Q
--------------
L
E
R
A
R
K
S
H
P
D
A
A
V
D
----------
G
V
R
S
-------------
V
L
R
I
L
V
L
F
A
---
L
V
T
P
F
W
S
L
F
D
Q
K
A
S
T
W
I
L
Q
A
N
D
M
-------
V
K
P
Q
W
F
E
P
A
M
M
Q
A
L
N
P
L
L
V
M
L
L
I
P
F
N
N
F
V
L
Y
P
A
I
E
R
M
G
V
K
-----
L
----
T
A
L
R
K
M
G
A
G
I
A
I
T
G
L
S
W
I
V
V
G
T
I
Q
L
M
M
D
G
G
S
A
L
S
I
F
W
Q
I
L
P
Y
A
L
L
T
F
G
E
V
L
V
S
A
T
G
L
E
F
A
Y
S
Q
A
P
K
A
M
K
G
T
I
M
S
F
W
T
L
S
V
T
V
G
N
------
L
W
V
L
L
A
N
-
V
S
V
K
S
P
T
V
T
E
Q
I
V
Q
T
G
M
S
V
T
A
F
Q
M
------
F
F
F
A
G
F
A
I
L
A
A
I
V
F
A
L
Y
A
--
R
S
Y
Q
M
Q
D
H
Y
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
73.37
25%
-102
- C4 -
4OH3
1
PTR7_ARATH
A:
[37-447]
-------------------------
I
L
C
I
E
A
V
E
R
L
T
T
L
G
I
G
V
N
L
V
T
Y
-----
L
T
G
--
T
M
H
-----
L
G
N
-----
A
T
------
A
A
N
T
----
V
T
N
F
L
G
T
S
F
M
L
C
L
L
G
G
F
I
A
D
T
------
F
L
G
R
Y
L
T
I
A
I
F
A
A
---
I
Q
A
T
G
V
S
I
L
T
L
S
T
I
IPGLRPPR
C
N
P
T
T
S
S
H
--
C
E
Q
A
S
G
I
Q
L
T
V
L
Y
L
A
L
Y
L
T
A
L
G
T
G
G
V
K
A
S
V
S
G
F
G
S
D
Q
F
D
E
T
E
P
K
E
R
S
K
M
T
Y
F
F
N
R
F
F
F
C
I
N
V
G
S
L
L
A
--
V
T
V
-
L
V
Y
V
Q
D
----------
D
V
G
R
K
W
----
G
Y
G
I
C
A
-----------------------
F
A
I
V
L
A
L
S
V
------------
F
L
------
A
G
-
T
------
N
R
Y
-------
R
F
K
K
L
I
----------------------
G
S
---------
P
---------------------
M
T
----
Q
V
A
A
-
V
I
-
V
A
----------------
A
W
R
N
---------------------------------------------------
A
A
I
R
D
Q
E
A
G
V
T
STLST
L
T
D
V
E
E
V
K
Q
-------------
I
V
R
M
L
P
I
W
A
---
T
C
I
L
F
W
T
V
H
A
Q
L
T
T
L
S
V
A
Q
S
E
T
L
D
R
S
----
I
G
S
F
E
I
P
P
A
S
M
A
V
F
Y
V
G
G
L
L
L
T
T
A
V
Y
D
R
V
A
I
R
L
C
K
K
L
-
F
N
-----
Y
PHGL
R
P
L
Q
R
I
G
L
G
L
F
F
G
S
M
A
M
A
V
A
A
L
V
E
L
K
R
L
R
T
A
H
A
P
L
G
F
Y
L
L
I
P
Q
Y
L
I
V
G
I
G
E
A
L
I
Y
T
G
Q
L
D
F
F
L
R
E
C
P
K
G
M
K
G
M
S
T
G
L
L
L
S
T
L
A
L
------
G
F
F
F
S
S
V
-
L
V
T
I
V
E
K
F
T
G
K
A
H
P
W
I
A
D
D
L
N
K
G
R
------
L
Y
N
F
Y
W
L
V
A
V
L
V
A
L
N
F
L
I
--
F
L
V
F
S
K
W
Y
V
Y
K
E
K
R
---------
L
A
E
V
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_CBE
72.69
67%
-70
- C5 -
5A9D
3
?
B:
[2-189]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
N
Q
V
Q
I
K
V
L
N
I
G
N
N
N
M
T
V
H
F
P
G
N
S
V
T
L
A
Q
M
S
Q
T
D
T
F
M
T
F
D
I
D
K
L
T
S
I
N
------
I
S
S
S
G
S
P
G
V
T
T
V
A
H
D
F
E
Q
G
H
R
H
T
L
L
V
W
N
P
S
Q
Y
------
R
V
V
K
D
G
L
N
Q
K
P
E
K
G
E
N
G
I
--
R
F
V
N
T
L
N
E
M
V
T
I
K
M
---------
S
G
K
V
Y
E
N
V
T
S
H
N
A
S
G
-------
Y
Q
F
F
P
S
G
E
K
Q
Y
T
I
N
T
T
A
V
A
P
T
C
L
T
D
F
K
S
S
N
L
D
F
G
S
A
Y
T
Y
V
----
I
R
R
A
S
D
G
C
L
E
V
K
E
F
E
D
I
P
P
N
T
----------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
71.94
67%
-73
* C5 *
5A9D
3
?
A:
[2-189]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
N
Q
V
Q
I
K
V
L
N
I
G
N
N
N
M
T
V
H
F
P
G
N
S
V
T
L
A
Q
M
S
Q
T
D
T
F
M
T
F
D
I
D
K
L
T
S
I
N
------
I
S
S
S
G
S
P
G
V
T
T
V
A
H
D
F
E
Q
G
H
R
H
T
L
L
V
W
N
P
S
Q
Y
------
R
V
V
K
D
G
L
N
Q
K
P
E
K
G
E
N
G
I
--
R
F
V
N
T
L
N
E
M
V
T
I
K
M
---------
S
G
K
V
Y
E
N
V
T
S
H
N
A
S
G
-------
Y
Q
F
F
P
S
G
E
K
Q
Y
T
I
N
T
T
A
V
A
P
T
C
L
T
D
F
K
S
S
N
L
D
F
G
S
A
Y
T
Y
V
----
I
R
R
A
S
D
G
C
L
E
V
K
E
F
E
D
I
P
P
N
T
----------------------------------------------------------------------------------------------------------------------------------------
39
Fugue
71.44
16%
-102
- C1 -
4UI9
-
APC4_HUMAN
I:
[6-757]
--TC
F
P
S
F
R
V
---
V
G
E
K
Q
L
P
Q
E
I
I
F
L
V
W
S
P
K
R
D
L
I
A
L
A
N
T
A
G
E
V
L
L
H
RLAS-
F
H
R
--
V
W
S
-----
F
P
P
-----
N
E
------
N
T
G
K
----
E
V
T
C
L
A
W
R
P
D
G
K
L
L
A
F
A
L
A
D
T
KKIVLC
D
V
E
K
P
E
S
L
H
S
F
S
V
EAP
V
S
C
M
H
W
M
E
V
T
V
E
S
---------
S
V
L
T
S
F
Y
E
D
E
S
N
L
L
L
P
K
L
P
T
L
P
-----------
K
N
Y
S
N
T
S
K
I
F
S
E
E
N
S
D
E
I
I
K
L
L
G
D
V
---
R
L
N
I
L
V
L
G
G
S
S
G
-
F
I
E
L
Y
A
Y
G
-
M
F
K
I
A
R
V
T---
G
I
A
G
----
T
C
L
----
A
L
C
L
S
S
-----------------------
D
L
K
S
L
S
V
V
T
EVSTNGASEVSY
F
Q
------
L
E
-
T
------
N
L
L
-------
Y
S
F
L
P
E
----------------------
V
T
---------
R
---------------------
M
A
----
R
K
F
T
-
H
I
-
S
A
----------------
L
L
Q
Y
-
I
------------------------
N
L
S
L
T
C
M
C
E
A
W
---------
E
E
I
L
M
Q
M
D
S
R
L
T
K
F
V
Q
----------
E
K
N
T
-------------
T
T
S
V
Q
D
E
F
M
---
H
L
-
L
L
W
G
K
A
S
A
E
L
Q
T
L
L
M
N
Q
L
T
V
K
G
L
----
K
K
L
G
Q
S
I
E
S
S
Y
S
S
I
Q
K
L
V
I
S
H
L
Q
S
G
S
E
S
L
L
Y
H
L
S
E
L
K
G
M
A
SWKQK
Y
----
E
P
L
G
L
D
A
A
G
I
E
E
A
I
T
A
V
G
S
F
I
L
K
A
N
E
L
L
Q
V
I
D
S
S
M
K
N
F
K
A
F
F
R
W
L
Y
V
A
M
L
R
M
T
D
K
M
T
Q
K
D
I
T
F
V
A
E
F
L
T
E
H
F
-
N
F
N
V
E
R
V
G
Q
Y
L
KDEDDD
L
V
S
P
P
N
T
-
E
G
N
Q
W
Y
D
F
L
Q
N
S
S
H
L
K
E
S
P
L
L
F
P
Y
YPRKSL
H
F
V
K
R
R
M
E
N
I
I
D
Q
C
L
Q
K
P
AD
V
I
G
K
S
M
N
Q
A
I
C
I
P
L
YRDTRSEDS
T
R
R
L
F
K
F
P
F
L
W
N
N
K
T
SNLHYLL
F
T
I
L
E
D
S
L
Y
K
M
C
I
L
R
R
H
T
D
I
S
Q
S
V
S
N
G
L
I
A
I
K
F
G
S
-
F
T
Y
A
TTEK
V
R
R
S
I
Y
S
C
L
D
A
Q
F
Y
D
D
---
E
T
V
T
V
V
L
K
D
TVGREG
R
D
R
L
L
V
Q
L
P
L
S
L
V
Y
N
S
E
D
S
A
E
Y
Q
F
T
G
T
Y
S
T
R
L
D
E
Q
----
C
S
A
I
P
T
R
T
M
H
F
E
K
H
W
R
L
L
E
S
M
K
A
Q
Y
V
A
G
N
G
F
R
K
V
S
C
V
L
S
S
N
L
R
H
V
R
V
F
E
--
M
D
I
D
D
E
W
E
L
D
E
S
---------------------
16
PsiBlast_PDB
70.64
25%
-112
- C4 -
4XNJ
9
?
A:
[5-373]
---------
G
---
K
T
F
F
G
Q
P
L
G
L
S
T
L
F
M
T
E
M
W
E
R
F
S
Y
Y
G
M
R
A
I
L
L
Y
Y
-----
M
W
F
--
L
I
S
-----
T
G
D
LHIT
R
A
T
------
A
A
S
I
----
M
A
I
Y
A
S
M
V
Y
L
S
G
T
I
G
G
F
V
A
D
R
------
I
I
G
A
R
P
A
V
F
W
G
G
V
---
L
I
M
L
G
H
I
V
L
--------------------------
A
L
P
F
G
A
S
A
L
F
G
S
I
I
L
I
I
I
G
T
G
F
L
K
P
N
V
S
T
L
V
G
T
L
Y
D
E
-
H
D
R
R
R
D
A
---
G
F
S
I
F
V
F
G
I
N
L
G
A
F
I
A
P
L
I
---------
V
----
G
A
A
Q
E
A
A
G
Y
H
V
----
A
F
S
L
A
A
-----------------------
I
G
M
F
I
G
L
L
V
------------
Y
Y
------
F
G
-
G
------
K
---------
K
T
L
D
P
H
YLRPTDPLA
P
E
E
V
---------
K
P
---------
L
---------------------
L
V
----
K
V
S
L
-
A
V
A
G
F
I
A
I
I
V
V
M
N
L
V
GWNS
L
P
A
Y
I
N
L
L
------------------------
T
I
V
A
I
A
I
P
V
-----------
F
Y
F
A
W
M
I
S
S
---
T
S
T
E
----------
H
L
R
V
-------------
V
S
Y
I
P
-
L
F
I
---
A
A
V
L
F
W
A
I
-
E
E
Q
G
S
--
V
V
L
A
T
F
A
A
E
R
----
V
D
S
S
W
F
P
V
S
W
F
Q
S
L
N
P
L
F
I
M
L
Y
T
P
F
F
-
A
W
L
W
T
A
W
K
K
N
--
Q
-----
P
----
S
S
P
T
K
F
A
V
G
L
M
F
A
G
L
S
F
L
L
M
A
I
P
G
A
L
Y
G
T
S
G
K
V
S
P
L
W
L
V
G
S
W
A
L
V
I
L
G
E
M
L
I
S
P
V
G
L
S
V
T
T
K
L
N
S
Q
M
M
S
M
W
F
L
S
S
S
V
G
S
A
L
N
A
Q
------
L
V
T
L
Y
N
A
-
K
S
E
V
A
Y
F
S
Y
F
G
L
G
S
V
V
L
G
I
V
L
V
F
L
------
S
K
R
I
Q
G
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
68.16
25%
-113
- C4 -
4D2B
8
?
A:
[6-373]
-------------
K
T
F
F
G
Q
P
L
G
L
S
T
L
F
M
T
E
M
W
E
R
F
S
Y
Y
G
M
R
A
I
L
L
Y
Y
-----
M
W
F
--
L
I
S
-----
T
G
D
LHIT
R
A
T
------
A
A
S
I
----
M
A
I
Y
A
S
M
V
Y
L
S
G
T
I
G
G
F
V
A
D
R
------
I
I
G
A
R
P
A
V
F
W
G
G
V
---
L
I
M
L
G
H
I
V
L
--------------------------
A
L
P
F
G
A
S
A
L
F
G
S
I
I
L
I
I
I
G
T
G
F
L
K
P
N
V
S
T
L
V
G
T
L
Y
D
E
-
H
D
R
R
R
D
A
---
G
F
S
I
F
V
F
G
I
N
L
G
A
F
I
A
P
L
I
---------
V
----
G
A
A
Q
E
A
A
G
Y
H
V
----
A
F
S
L
A
A
-----------------------
I
G
M
F
I
G
L
L
V
------------
Y
Y
------
F
G
-
G
------
K
---------
K
T
L
D
P
H
YLRPTDPLAPEE
V
---------
K
P
---------
L
---------------------
L
V
----
K
V
S
L
-
A
V
A
G
F
I
A
I
I
V
V
M
N
L
V
GWNS
L
P
A
Y
I
N
L
L
------------------------
T
I
V
A
I
A
I
P
V
-----------
F
Y
F
A
W
M
I
S
-------------------
L
R
V
-------------
V
S
Y
I
P
-
L
F
I
---
A
A
V
L
F
W
A
I
-
E
E
Q
G
S
--
V
V
L
A
T
F
A
A
E
R
----
V
D
S
S
W
F
P
V
S
W
F
Q
S
L
N
P
L
F
I
M
L
Y
T
P
F
F
-
A
W
L
W
T
A
---
N
--
Q
-----
P
----
S
S
P
T
K
F
A
V
G
L
M
F
A
G
L
S
F
L
L
M
A
I
P
G
A
L
Y
G
T
S
G
K
V
S
P
L
W
L
V
G
S
W
A
L
V
I
L
G
E
M
L
I
S
P
V
G
L
S
V
T
T
M
M
S
M
W
F
L
S
S
S
V
G
S
A
L
N
A
Q
L
V
T
L
Y
------
N
A
K
S
E
V
A
-
Y
F
S
Y
F
G
L
G
S
V
V
L
G
I
V
L
V
F
L
S
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
67.09
25%
-112
- C4 -
4XNI
6
?
A:
[5-373]
---------
G
---
K
T
F
F
G
Q
P
L
G
L
S
T
L
F
M
T
E
M
W
E
R
F
S
Y
Y
G
M
R
A
I
L
L
Y
Y
-----
M
W
F
--
L
I
S
-----
T
G
D
LHIT
R
A
T
------
A
A
S
I
----
M
A
I
Y
A
S
M
V
Y
L
S
G
T
I
G
G
F
V
A
D
R
------
I
I
G
A
R
P
A
V
F
W
G
G
V
---
L
I
M
L
G
H
I
V
L
--------------------------
A
L
P
F
G
A
S
A
L
F
G
S
I
I
L
I
I
I
G
T
G
F
L
K
P
N
V
S
T
L
V
G
T
L
Y
D
E
-
H
D
R
R
R
D
A
---
G
F
S
I
F
V
F
G
I
N
L
G
A
F
I
A
P
L
I
---------
V
----
G
A
A
Q
E
A
A
G
Y
H
V
----
A
F
S
L
A
A
-----------------------
I
G
M
F
I
G
L
L
V
------------
Y
Y
------
F
G
-
G
------
K
---------
K
T
L
D
P
H
YLRPTDPLA
P
E
E
V
---------
K
P
---------
L
---------------------
L
V
----
K
V
S
L
-
A
V
A
G
F
I
A
I
I
V
V
M
N
L
V
GWNS
L
P
A
Y
I
N
L
L
------------------------
T
I
V
A
I
A
I
P
V
-----------
F
Y
F
A
-----------------------
L
R
V
-------------
V
S
Y
I
P
-
L
F
I
---
A
A
V
L
F
W
A
I
-
E
E
Q
G
S
--
V
V
L
A
T
F
A
A
E
R
----
V
D
S
S
W
F
P
V
S
W
F
Q
S
L
N
P
L
F
I
M
L
Y
T
P
F
F
-
A
W
L
W
T
A
W
K
K
N
--
Q
-----
P
----
S
S
P
T
K
F
A
V
G
L
M
F
A
G
L
S
F
L
L
M
A
I
P
G
A
L
Y
G
T
S
G
K
V
S
P
L
W
L
V
G
S
W
A
L
V
I
L
G
E
M
L
I
S
P
V
G
L
S
V
M
S
M
W
F
L
S
S
S
V
G
S
A
L
N
A
Q
L
V
T
L
Y
N
A
K
------
S
E
V
A
Y
F
S
-
Y
F
G
L
G
S
V
V
L
G
I
V
L
V
F
L
S
K
R
I
Q
G
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
67.04
27%
-106
- C4 -
4IKX
1
?
A:
[16-384]
-------------
R
G
F
F
G
H
P
K
G
L
F
T
L
F
F
T
E
F
W
E
R
F
S
Y
Y
G
M
R
A
I
L
V
Y
Y
-----
M
Y
Y
--
E
V
S
KGGLG
L
D
E
-----
H
L
------
A
L
A
I
----
M
S
I
Y
G
A
L
V
Y
M
S
G
I
I
G
G
W
L
A
D
R
------
V
F
G
T
S
R
A
V
F
Y
G
G
L
---
L
I
M
A
G
H
I
A
L
A
I
--------------------------
P
G
G
V
A
A
L
F
V
S
M
A
L
I
V
L
G
T
G
L
L
K
P
N
V
S
S
I
V
G
D
M
Y
K
P
G
D
D
R
-
R
D
A
---
G
F
S
I
F
Y
M
G
I
N
L
G
A
F
L
A
P
L
V
---------
V
----
G
T
A
G
M
K
Y
N
F
H
L
----
G
F
G
L
A
A
-----------------------
V
G
M
F
L
G
L
V
V
------------
F
V
A
T
RKKN
L
G
L
A
------
G
T
Y
VP
N
P
L
T
P
A
E
K
K
K
A
----------------------
A
A
---------
I
---------------------
M
A
V
G
A
V
V
I
A
V
-
L
L
-
A
I
----------------
L
I
P
N
G
W
FT
V
E
T
F
I
S
L
V
G
I
L
G
I
I
I
P
I
I
Y
F
V
V
M
Y
R
S
---
P
K
T
T
--------------
A
E
E
R
--
S
R
V
I
A
----------
Y
I
P
--------------------
L
F
V
---
A
S
A
M
F
W
A
I
-
Q
Q
Q
G
S
--
T
I
L
A
N
Y
A
D
K
R
TQLD
V
--
I
H
L
S
P
A
W
F
Q
S
L
N
P
L
F
I
I
I
L
A
P
V
F
A
W
M
W
V
K
L
G
K
R
---
Q
-----
P
----
T
I
P
Q
K
F
A
L
G
L
L
F
A
G
L
S
F
I
V
I
L
V
P
G
H
L
G
G
L
V
H
P
I
W
L
V
L
S
Y
F
I
V
V
L
G
E
L
C
L
S
P
V
G
L
S
A
T
T
K
L
A
P
A
A
F
S
A
Q
T
M
S
L
W
F
L
S
N
A
A
A
Q
A
I
N
------
A
Q
L
V
R
F
Y
-
T
P
E
N
E
T
A
Y
F
G
T
I
G
G
A
A
L
V
L
G
L
I
L
L
------
A
I
A
P
R
I
G
R
L
M
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
66.76
29%
-105
- C4 -
2XUT
-
?
A:
[13-398]
---------------------
Q
I
P
Y
I
I
A
S
E
A
C
E
R
F
S
F
Y
G
M
R
N
I
L
T
P
F
-----
L
M
T
A
L
L
L
S
-----
I
P
E
-----
E
L
------
R
G
A
V
A
K
D
V
F
H
S
F
V
I
G
V
Y
F
F
P
L
L
G
G
W
I
A
D
R
------
F
F
G
K
Y
N
T
I
L
W
L
S
L
---
I
Y
C
V
G
H
A
F
L
A
I
--------------
F
E
H
S
V
Q
G
F
-----------
Y
T
G
L
F
L
I
A
L
G
S
G
G
I
K
P
L
V
S
S
F
M
G
D
Q
F
D
Q
S
N
K
S
L
A
Q
K
---
A
F
D
M
F
Y
F
T
I
N
F
G
S
F
F
A
S
L
S
M
P
-
L
L
L
------------
K
N
F
G
A
A
V
----
A
F
G
I
P
G
-----------------------
V
L
M
F
V
A
T
V
F
------------
F
W
------
L
G
-
R
------
K
R
Y
-------
I
H
M
P
--V
E
G
K
------------------
G
N
---------
I
G
L
V
L
A
L
I
G
G
V
S
A
A
Y
A
L
V
N
I
P
T
L
G
----
I
V
A
G
L
C
C
-
A
M
----------------
V
L
V
M
G
F
------------------------
V
G
A
G
A
S
L
Q
--------------
L
E
R
A
R
K
S
H
P
D
A
A
V
D
----------
G
V
R
S
-------------
V
L
R
I
L
V
L
F
A
---
L
V
T
P
F
W
S
L
F
D
Q
K
A
S
T
W
I
L
Q
A
N
D
M
-------
V
K
P
Q
W
F
E
P
A
M
M
Q
A
L
N
P
L
L
V
M
L
L
I
P
F
N
N
F
V
---------------------
T
A
L
R
K
M
G
A
G
I
A
I
T
G
L
S
W
I
V
V
G
T
I
Q
L
M
M
D
G
G
S
A
L
S
I
F
W
Q
I
L
P
Y
A
L
L
T
F
G
E
V
L
V
S
A
T
G
L
E
F
A
Y
S
Q
A
P
K
A
M
K
G
T
I
M
S
F
W
T
L
S
V
T
V
G
N
------
L
W
V
L
L
A
N
-
V
S
V
K
S
P
T
V
T
E
Q
I
V
Q
T
G
M
S
V
T
A
F
Q
M
------
F
F
F
A
G
F
A
I
L
A
A
I
V
F
A
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
66.38
25%
-116
- C4 -
4D2C
6
?
A:
[6-373]
-------------
K
T
F
F
G
Q
P
L
G
L
S
T
L
F
M
T
E
M
W
E
R
F
S
Y
Y
G
M
R
A
I
L
L
Y
Y
-----
M
W
F
--
L
I
S
-----
T
G
D
LHIT
R
A
T
------
A
A
S
I
----
M
A
I
Y
A
S
M
V
Y
L
S
G
T
I
G
G
F
V
A
D
R
------
I
I
G
A
R
P
A
V
F
W
G
G
V
---
L
I
M
L
G
H
I
V
L
--------------------------
A
L
P
F
G
A
S
A
L
F
G
S
I
I
L
I
I
I
G
T
G
F
L
K
P
N
V
S
T
L
V
G
T
L
Y
D
E
-
H
D
R
R
R
D
A
---
G
F
S
I
F
V
F
G
I
N
L
G
A
F
I
A
P
L
I
---------
V
----
G
A
A
Q
E
A
A
G
Y
H
V
----
A
F
S
L
A
A
-----------------------
I
G
M
F
I
G
L
L
V
------------
Y
Y
------
F
G
-
G
------
K
---------
K
T
L
D
P
H
YLRPTDPLA
P
E
E
V
---------
K
P
---------
L
---------------------
L
V
----
K
V
S
L
-
A
V
A
G
F
I
A
I
I
V
V
M
N
L
V
GWNS
L
P
A
Y
I
N
L
L
------------------------
T
I
V
A
I
A
I
P
V
-----------
F
Y
F
A
W
----------------------------------------
Y
I
P
-
L
F
I
---
A
A
V
L
F
W
A
I
-
E
E
Q
G
S
--
V
V
L
A
T
F
A
A
E
R
----
V
D
S
S
W
F
P
V
S
W
F
Q
S
L
N
P
L
F
I
M
L
Y
T
P
F
F
-
A
W
L
W
T
A
W
----------------
S
S
P
T
K
F
A
V
G
L
M
F
A
G
L
S
F
L
L
M
A
I
P
G
A
L
Y
G
T
S
G
K
V
S
P
L
W
L
V
G
S
W
A
L
V
I
L
G
E
M
L
I
S
P
V
M
M
S
M
W
F
L
S
S
S
V
G
S
A
L
N
A
Q
L
V
T
L
Y
N
A
K
S
E
V
------
A
Y
F
S
Y
F
G
-
L
G
S
V
V
L
G
I
V
L
V
F
L
S
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
66.17
27%
-105
- C4 -
4IKW
12
?
A:
[16-384]
-------------
R
G
F
F
G
H
P
K
G
L
F
T
L
F
F
T
E
F
W
E
R
F
S
Y
Y
G
M
R
A
I
L
V
Y
Y
-----
M
Y
Y
--
E
V
S
KGGLG
L
D
E
-----
H
L
------
A
L
A
I
----
M
S
I
Y
G
A
L
V
Y
M
S
G
I
I
G
G
W
L
A
D
R
------
V
F
G
T
S
R
A
V
F
Y
G
G
L
---
L
I
M
A
G
H
I
A
L
A
I
--------------------------
P
G
G
V
A
A
L
F
V
S
M
A
L
I
V
L
G
T
G
L
L
K
P
N
V
S
S
I
V
G
D
M
Y
K
P
G
D
D
R
-
R
D
A
---
G
F
S
I
F
Y
M
G
I
N
L
G
A
F
L
A
P
L
V
---------
V
----
G
T
A
G
M
K
Y
N
F
H
L
----
G
F
G
L
A
A
-----------------------
V
G
M
F
L
G
L
V
V
------------
F
V
A
TRKKN
L
G
L
A
------
G
T
Y
VP
N
P
L
T
P
A
E
K
K
K
A
----------------------
A
A
---------
I
---------------------
M
A
V
G
A
V
V
I
A
V
-
L
L
-
A
I
----------------
L
I
P
N
G
W
FT
V
E
T
F
I
S
L
V
G
I
L
G
I
I
I
P
I
I
Y
F
V
V
M
Y
R
S
---
P
K
T
T
--------------
A
E
E
R
--
S
R
V
I
A
----------
Y
I
P
--------------------
L
F
V
---
A
S
A
M
F
W
A
I
-
Q
E
Q
G
S
--
T
I
L
A
N
Y
A
D
K
R
TQLD
V
A
G
I
H
L
S
P
A
W
F
Q
S
L
N
P
L
F
I
I
I
L
A
P
V
F
A
W
M
W
V
K
L
G
K
R
---
Q
-----
P
----
T
I
P
Q
K
F
A
L
G
L
L
F
A
G
L
S
F
I
V
I
L
V
P
G
H
L
S
G
G
G
L
V
H
P
I
W
L
V
L
S
Y
F
I
V
V
L
G
E
L
C
L
S
P
V
G
L
S
A
T
T
K
L
A
P
A
A
F
S
A
Q
T
M
S
L
W
F
L
S
N
A
A
A
Q
A
------
I
N
A
Q
L
V
R
-
F
Y
T
P
E
N
E
T
A
Y
F
G
T
I
G
G
A
A
L
V
L
G
L
I
------
L
L
A
I
A
P
R
I
G
R
L
M
K
G
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
65.93
27%
-106
- C4 -
4IKV
8
?
A:
[16-384]
-------------
R
G
F
F
G
H
P
K
G
L
F
T
L
F
F
T
E
F
W
E
R
F
S
Y
Y
G
M
R
A
I
L
V
Y
Y
-----
M
Y
Y
--
E
V
S
KGGLG
L
D
E
-----
H
L
------
A
L
A
I
----
M
S
I
Y
G
A
L
V
Y
M
S
G
I
I
G
G
W
L
A
D
R
------
V
F
G
T
S
R
A
V
F
Y
G
G
L
---
L
I
M
A
G
H
I
A
L
A
I
--------------------------
P
G
G
V
A
A
L
F
V
S
M
A
L
I
V
L
G
T
G
L
L
K
P
N
V
S
S
I
V
G
D
M
Y
K
P
G
D
D
R
-
R
D
A
---
G
F
S
I
F
Y
M
G
I
N
L
G
A
F
L
A
P
L
V
---------
V
----
G
T
A
G
M
K
Y
N
F
H
L
----
G
F
G
L
A
A
-----------------------
V
G
M
F
L
G
L
V
V
------------
F
V
A
TRKKN
L
G
L
A
------
G
T
Y
VP
N
P
L
T
P
A
E
K
K
K
A
----------------------
A
A
---------
I
---------------------
M
A
V
G
A
V
V
I
A
V
-
L
L
-
A
I
----------------
L
I
P
N
G
W
FT
V
E
T
F
I
S
L
V
G
I
L
G
I
I
I
P
I
I
Y
F
V
V
M
Y
R
S
---
P
K
T
T
--------------
A
E
E
R
--
S
R
V
I
A
----------
Y
I
P
--------------------
L
F
V
---
A
S
A
M
F
W
A
I
-
Q
E
Q
G
S
--
T
I
L
A
N
Y
A
D
K
R
TQLD
V
A
G
I
H
L
S
P
A
W
F
Q
S
L
N
P
L
F
I
I
I
L
A
P
V
F
A
W
M
W
V
K
L
G
K
R
---
Q
-----
P
----
T
I
P
Q
K
F
A
L
G
L
L
F
A
G
L
S
F
I
V
I
L
V
P
G
H
L
S
G
G
G
L
V
H
P
I
W
L
V
L
S
Y
F
I
V
V
L
G
E
L
C
L
S
P
V
G
L
S
A
T
T
K
L
A
P
A
A
F
S
A
Q
T
M
S
L
W
F
L
S
N
A
A
A
Q
A
------
I
N
A
Q
L
V
R
-
F
Y
T
P
E
N
E
T
A
Y
F
G
T
I
G
G
A
A
L
V
L
G
L
I
------
L
L
A
I
A
P
R
I
G
R
L
M
K
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
65.58
25%
-103
- C4 -
4W6V
-
?
A:
[10-388]
---------
G
---
R
T
F
F
G
H
P
Y
P
L
S
G
L
F
L
S
E
M
W
E
R
F
S
F
Y
G
I
R
P
L
L
I
L
F
M
A
ATV
F
D
G
--
G
M
G
-----
L
P
R
-----
E
Q
------
A
S
A
I
----
V
G
I
F
A
G
S
M
Y
L
A
A
L
P
G
G
L
L
A
D
N
------
W
L
G
Q
Q
R
A
V
W
Y
G
S
I
---
L
I
A
L
G
H
L
S
I
A
L
S
A
F
FG------
N
D
L
F
------------------
F
I
G
L
V
F
I
V
L
G
T
G
L
F
K
T
C
I
S
V
M
V
G
T
L
Y
K
P
G
-
D
A
R
R
D
G
---
G
F
S
L
F
Y
M
G
I
N
M
G
S
F
I
A
P
L
L
S
G
W
L
L
R
T
H
G
W
H
W
G
F
G
I
G
G
I
G
M
L
V
A
L
L
I
F
R
G
F
A
I
P
A
M
K
R
Y
D
A
E
VGLDSSWNKPTG
R
W
V
T
A
I
M
A
V
V
V
V
I
------------
I
A
------
L
I
-
S
------
Q
G
V
-------
I
P
I
N
P
V
-----------------------
M
---------
I
---------------------
A
S
----
L
L
V
Y
-
V
I
-
A
A
----------------
S
V
T
L
Y
F
------------------------
I
Y
L
F
-
A
F
A
K
M
S
----------------
R
K
D
R
A
R
L
L
V
----------
C
F
I
L
-------------
L
V
S
A
A
F
----------
F
W
S
A
F
E
Q
K
P
T
S
F
N
L
F
A
N
D
Y
T
D
R
M---
V
M
G
F
E
I
P
T
V
W
F
Q
S
I
N
A
L
F
I
I
L
L
A
P
V
F
S
W
A
----------------
P
----
S
S
I
T
K
F
V
I
G
I
L
C
A
A
A
G
F
A
V
M
M
Y
A
A
Q
H
V
L
S
S
G
G
A
G
V
S
P
L
W
L
V
M
S
I
L
L
L
T
L
G
E
L
C
L
S
P
I
G
L
A
T
M
T
L
L
A
P
D
R
M
R
G
Q
V
M
G
L
W
F
C
A
S
S
L
------
G
N
L
A
A
G
L
-
I
G
G
H
V
K
A
D
Q
L
D
M
L
P
T
L
F
A
R
C
S
I
A
L
------
V
I
C
A
A
V
L
I
L
L
I
V
P
I
R
R
L
M
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
65.04
27%
-104
- C4 -
4IKY
8
?
A:
[16-384]
-------------
R
G
F
F
G
H
P
K
G
L
F
T
L
F
F
T
E
F
W
E
R
F
S
Y
Y
G
M
R
A
I
L
V
Y
Y
-----
M
Y
Y
--
E
V
S
KGGLG
L
D
E
-----
H
L
------
A
L
A
I
----
M
S
I
Y
G
A
L
V
Y
M
S
G
I
I
G
G
W
L
A
D
R
------
V
F
G
T
S
R
A
V
F
Y
G
G
L
---
L
I
M
A
G
H
I
A
L
A
I
--------------------------
P
G
G
V
A
A
L
F
V
S
M
A
L
I
V
L
G
T
G
L
L
K
P
N
V
S
S
I
V
G
D
M
Y
K
P
G
D
D
R
-
R
D
A
---
G
F
S
I
F
Y
M
G
I
N
L
G
A
F
L
A
P
L
V
---------
V
----
G
T
A
G
M
K
Y
N
F
H
L
----
G
F
G
L
A
A
-----------------------
V
G
M
F
L
G
L
V
V
------------
F
V
A
T
RKKN
L
G
L
A
------
G
T
Y
VP
N
P
L
T
P
A
E
K
K
K
A
----------------------
A
A
---------
I
---------------------
M
A
V
G
A
V
V
I
A
V
-
L
L
-
A
I
----------------
L
I
P
N
G
W
FT
V
E
T
F
I
S
L
V
G
I
L
G
I
I
I
P
I
I
Y
F
V
V
M
Y
R
S
---
P
K
T
T
--------------
A
E
E
R
--
S
R
V
I
A
----------
Y
I
P
--------------------
L
F
V
---
A
S
A
M
F
W
A
I
-
Q
Q
Q
G
S
--
T
I
L
A
N
Y
A
D
K
R
TQLD
V
A
G
I
H
L
S
P
A
W
F
Q
S
L
N
P
L
F
I
I
I
L
A
P
V
F
A
W
M
W
V
K
L
G
K
R
---
Q
-----
P
----
T
I
P
Q
K
F
A
L
G
L
L
F
A
G
L
S
F
I
V
I
L
V
P
G
H
L
S
G
G
G
L
V
H
P
I
W
L
V
L
S
Y
F
I
V
V
L
G
E
L
C
L
S
P
V
G
L
S
A
T
T
K
L
A
P
A
A
F
S
A
Q
T
M
S
L
W
F
L
S
N
A
A
A
Q
A
------
I
N
A
Q
L
V
R
-
F
Y
T
P
E
N
E
T
A
Y
F
G
T
I
G
G
A
A
L
V
L
G
L
I
------
L
L
A
I
A
P
R
I
G
R
L
M
K
G
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
64.25
27%
-102
- C4 -
4IKZ
1
?
A:
[16-384]
-------------
R
G
F
F
G
H
P
K
G
L
F
T
L
F
F
T
E
F
W
E
R
F
S
Y
Y
G
M
R
A
I
L
V
Y
Y
-----
M
Y
Y
--
E
V
S
KGGLG
L
D
E
-----
H
L
------
A
L
A
I
----
M
S
I
Y
G
A
L
V
Y
M
S
G
I
I
G
G
W
L
A
D
R
------
V
F
G
T
S
R
A
V
F
Y
G
G
L
---
L
I
M
A
G
H
I
A
L
A
I
--------------------------
P
G
G
V
A
A
L
F
V
S
M
A
L
I
V
L
G
T
G
L
L
K
P
N
V
S
S
I
V
G
D
M
Y
K
P
G
D
D
R
-
R
D
A
---
G
F
S
I
F
Y
M
G
I
N
L
G
A
F
L
A
P
L
V
---------
V
----
G
T
A
G
M
K
Y
N
F
H
L
----
G
F
G
L
A
A
-----------------------
V
G
M
F
L
G
L
V
V
------------
F
V
A
T
RKKN
L
G
L
A
------
G
T
Y
VP
N
P
L
T
P
A
E
K
K
K
A
----------------------
A
A
---------
I
---------------------
M
A
V
G
A
V
V
I
A
V
-
L
L
-
A
-----------------------FT
V
E
T
F
I
S
L
V
G
I
L
G
I
I
I
P
I
I
Y
F
V
V
M
Y
R
S
---
P
K
T
T
--------------
A
E
E
R
--
S
R
V
I
A
----------
Y
I
P
--------------------
L
F
V
---
A
S
A
M
F
W
A
I
-
Q
Q
Q
G
S
--
T
I
L
A
N
Y
A
D
K
R
TQLD
V
A
G
I
H
L
S
P
A
W
F
Q
S
L
N
P
L
F
I
I
I
L
A
P
V
F
A
W
M
W
V
K
L
G
K
R
---
Q
-----
P
----
T
I
P
Q
K
F
A
L
G
L
L
F
A
G
L
S
F
I
V
I
L
V
P
G
H
L
S
G
G
G
L
V
H
P
I
W
L
V
L
S
Y
F
I
V
V
L
G
E
L
C
L
S
P
V
G
L
S
A
T
T
K
L
A
P
A
A
F
S
A
Q
T
M
S
L
W
F
L
S
N
A
A
A
Q
A
------
I
N
A
Q
L
V
R
-
F
Y
T
P
E
N
E
T
A
Y
F
G
T
I
G
G
A
A
L
V
L
G
L
I
------
L
L
A
I
A
P
R
I
G
R
L
M
K
G
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
63.15
25%
-114
- C4 -
4APS
-
?
A:
[11-373]
------------------
Q
P
L
G
L
S
T
L
F
M
T
E
M
W
E
R
F
S
Y
Y
G
M
R
A
I
L
L
Y
Y
-----
M
W
F
--
L
I
S
-----
T
G
D
LHIT
R
A
T
------
A
A
S
I
----
M
A
I
Y
A
S
M
V
Y
L
S
G
T
I
G
G
F
V
A
D
R
------
I
I
G
A
R
P
A
V
F
W
G
G
V
---
L
I
M
L
G
H
I
V
L
--------------------------
A
L
P
F
G
A
S
A
L
F
G
S
I
I
L
I
I
I
G
T
G
F
L
K
P
N
V
S
T
L
V
G
T
L
Y
D
E
-
H
D
R
R
R
D
A
---
G
F
S
I
F
V
F
G
I
N
L
G
A
F
I
A
P
L
I
---------
V
----
G
A
A
Q
E
A
A
G
Y
H
V
----
A
F
S
L
A
A
-----------------------
I
G
M
F
I
G
L
L
V
------------
Y
Y
------
F
G
-
G
------
K
---------
K
T
L
D
P
H
YLRPTDPLAPEE
V
---------
K
P
---------
L
---------------------
L
V
----
K
V
S
L
-
A
V
A
G
F
I
A
I
I
V
V
M
N
L
V
GWNS
L
P
A
Y
I
N
L
L
------------------------
T
I
V
A
I
A
I
P
V
-----------
F
Y
F
A
W
M
I
----------------------
V
-------------
V
S
Y
I
P
-
L
F
I
---
A
A
V
L
F
W
A
I
-
E
E
Q
G
S
--
V
V
L
A
T
F
A
A
E
R
----
V
D
S
S
W
F
P
V
S
W
F
Q
S
L
N
P
L
F
I
M
L
Y
T
P
F
F
-
A
W
L
W
T
A
W
K
K
N
--------------
S
P
T
K
F
A
V
G
L
M
F
A
G
L
S
F
L
L
M
A
I
P
G
A
L
Y
G
T
S
G
K
V
S
P
L
W
L
V
G
S
W
A
L
V
I
L
G
E
M
L
I
S
P
V
G
L
S
V
T
T
K
L
A
P
K
A
F
N
S
Q
M
M
S
M
W
F
L
S
S
S
V
G
S
------
A
L
N
A
Q
L
V
-
T
L
Y
N
A
K
S
E
V
A
Y
F
S
Y
F
G
L
G
S
V
V
L
G
I
------
V
L
V
F
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
59.46
21%
-94
- C4 -
4LEP
1
?
A:
[9-373]
-------
S
K
T
---
H
S
F
M
T
V
S
L
I
-------
E
L
W
E
R
F
G
Y
Y
G
M
Q
A
L
I
V
Y
F
-----
M
V
Q
--
R
L
G
-----
F
D
D
-----
S
R
------
A
N
L
V
----
W
S
A
C
A
A
L
I
Y
V
S
P
A
I
G
G
W
V
G
D
K
------
I
L
G
T
K
R
T
M
L
L
G
A
G
---
I
L
S
V
G
Y
A
L
M
T
V
P
T
E
--------
N
T
W
-----------------
F
M
F
S
A
L
G
V
I
V
V
G
N
G
L
F
K
P
N
A
G
N
L
-
V
R
K
I
Y
E
G
D
D
S
K
I
D
S
---
A
F
T
I
Y
Y
M
A
V
N
V
G
S
T
F
S
M
L
L
T
P
-
W
I
K
D
Y
V
N
----
A
Q
Y
G
N
E
F
G
W
H
A
----
A
F
A
V
C
C
-----------------------
V
G
I
L
V
G
L
G
N
------------
Y
A
------
L
----------
M
H
-------
K
S
L
A
N
Y
----------------------
G
-VN
K
K
S
L
A
I
V
L
---------------------
A
L
----
A
A
L
S
-
V
V
-
A
S
----------------
A
I
I
L
E
Y
------------------------
E
D
V
A
R
V
F
V
Y
A
A
G
V
A
V
L
G
I
F
F
H
L
I
R
---
P
S
E
R
A
G
L
I
A
----------
A
L
I
L
-------------
T
V
Q
T
V
F
F
F
I
F
Y
Q
Q
M
S
T
S
L
A
L
F
A
L
R
N
V
D
W
D
F
---------------
W
T
W
S
P
A
Q
F
Q
A
L
N
P
I
W
I
M
V
L
S
P
V
L
-
A
W
S
Y
S
W
------
D
-----
F
----
S
I
A
A
K
F
A
L
G
F
A
V
V
A
I
G
F
F
I
Y
G
F
A
G
Q
F
A
V
N
G
K
T
S
S
W
V
M
I
W
G
Y
A
S
Y
S
L
G
E
L
L
V
S
G
L
G
L
A
M
I
A
R
Y
G
F
M
M
G
A
Y
F
V
A
S
G
I
S
Q
Y
L
G
G
V
V
A
------
N
F
A
S
V
P
Q
-
D
L
V
D
P
L
Q
T
L
P
V
Y
T
N
L
F
N
K
L
G
V
A
A
V
------
V
C
T
I
I
A
L
A
V
L
P
L
M
R
R
L
T
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------