@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 : S15A3_HUMAN: (2015-12-09 )
MPAPRAREQPRVPGERQPLLPRGARGPRRWRRAAGAAVLLVEMLERAAFFGVTANLVLYLNSTNFNWTGEQATRAALVFLGASYLLAPVGGWLADVYLGRYRAVALSLLLYLAASGLLPATAFPDGRSSFCGEMPASPLGPACPSAGCPRSSPSPYCAPVLYAGLLLLGLAASSVRSNLTSFGADQVMDLGRDATRRFFNWFYWSINLGAVLSLLVVAFIQQNISFLLGYSIPVGCVGLAFFIFLFATPVFITKPPMGSQVSSMLKLALQNCCPQLWQRHSARDRQCARVLADERSPQPGASPQEDIANFQVLVKILPVMVTLVPYWMVYFQMQSTYVLQGLHLHIPNIFPANPANISVALRAQGSSYTIPEAWLLLANVVVVLILVPLKDRLIDPLLLRCKLLPSALQKMALGMFFGFTSVIVAGVLEMERLHYIHHNETVSQQIGEVLYNAAPLSIWWQIPQYLLIGISEIFASIPGLEFAYSEAPRSMQGAIMGIFFCLSGVGSLLGSSLVALLSLPGGWLHCPKDFGNINNCRMDLYFFLLAGIQAVTALLFVWIAGRYERASQGPASHSRFSRDRG
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-----------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-----------MPAPRAREQPRVPGERQ-------------PL--L--PRGARG---
P
R
R
W
R
R
AA
G
A
A
V
L
L
V
E
M
L
E
R
-
A
A
F
FG---------V
T
A
N
L
V
L
Y
L
----N---ST-----NF-----NWT----G
E
-
Q
A
T
R
A
A
L
V
F
---LG
A
-
S
Y
L
L
APV
G
G
W
L
A
D
V
Y
-------LG
R
Y
R
A
V
A
L
-
S
L
L
L
-
Y
L
A
ASGLL-------PATAFPDG
R
S
S
F
CGEMPASPLGPACPSAGCPRS----------------SPSP
Y
C
A
P
V
L
Y
A
G
L
-
L
----
L
L
G
L
A
A
S
S
V
R
S
N
L
T
SF
G
A
D
--
Q
V
M
--
D
L
G
---
R
D
A
T
R
R
F
F
N
W
F
Y
--------
W
S
I
N
L
G
A
V
L
S
L
L
V
V
A
F
I
Q
--------
Q
N
I
S
-
F
L
LGYSI
P
V
G
C
V
G
L
A
------
F
F
I
F
L
FAT
P
V
-------------
F
I
TKPPM
G
S
---
Q
V
S
S
M
L
K
-
L
A
L
Q
N
C
C
P
Q
L
W
Q
RHS-------------------------A
R
D
R
Q
C
A
R
--------
V
L
AD-----------ERSPQPGA------------S
P
Q
-----
E
D
I
A
N
--
F
Q
V
L
---
V
---
K
I
L
P
V
M
V
T
L
V
P
Y
------------
W
M
V
Y
F
-----QMQS---------
T
Y
V
L
Q
G
L
H
--LHIPNIFPANPA
N
I
S
V
-
A
L
R
AQ----GS------------SYT
I
P
E
A
--
W
L
-----------------------------------------------------------------------
L
L
A
N
V
V
------
V
--
V
L
I
L
VP
L
K
D
RLI
D
P
L
L
L
R
C
K
L
L
P
S
A
---
L
Q
K
M
A
L
G
M
------------
F
F
-
G
F
T
S
V
I
V
A
G
V
L
E
M
E
R
L
H
YIH-HN-----------
E
T
V
S
Q
Q
I
G
E
V
L
-----------YNAAP
L
S
I
W
W
Q
I
P
Q
Y
L
L
I
G
I
S
-----
E
I
F
A
SIPGL
E
F
A----YSEA
P
R
S
M
Q
G
A
I
M
G
I
F
F
C
L
-
S
-------------------
G
V
-
G
S
L
L
G
S
----
S
L
V
A
L
L
SLPGGWLHC
P
K
--
D
FGNI
N
N
C
R
M
D
L
Y
F
F
L
L
A
-
G
I
Q
A
V
T
A
L
L
F
V
----
W
I-------------AGRYERASQGPASHSR-FSRDRG------------------------------------
1
PsiBlast_PDB
94.18
25%
-123
- C4 -
4OH3
1
PTR7_ARATH
A:
[32-575]
---------------------------------------------------------------
A
S
A
A
M
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
I
P
G
L
R
P
P
R
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
PK
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
S
-TLST
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
P
H
G
LR
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
-------------------------------------------------
33
Fugue
86.72
23%
-126
- C4 -
4IKW
13
?
A:
[3-494]
------------
S
I
D
K
Q
Q
I
A
A
S
V
P
Q
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
YYEV
S
---
K
G
-----
G
L
-----
G
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
SPKTT
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
78.77
21%
-125
- C4 -
4UVM
5
?
A:
[21-455]
------------------------------------------------------------------------
E
A
C
E
R
-
F
S
F
Y
G
---------
M
R
N
I
L
T
P
F
L
----
M
---
T
A
-----
L
L
LSIP
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
P
K
---
D
P
H
G
F
L
P
-
V
I
R
S
A
L
L
T
K
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
IPTLG
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
-----------------------------------------------------
4
PsiBlast_PDB
77.52
21%
-114
- C4 -
4W6V
-
?
A:
[21-456]
------------------------------------------------------------------
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
---
A
T
-----
V
F
-----
D
G
G
MGLP
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
F
G
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
PG
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
V
G
L
D
S
S
W
N
K
P
T
-------------------------------
G
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
RMVM--------
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
---------------------------------------------------------------------------------
2
PsiBlast_PDB
76.40
21%
-132
- C4 -
2XUT
-
?
A:
[21-455]
------------------------------------------------------------------------
E
A
C
E
R
-
F
S
F
Y
G
---------
M
R
N
I
L
T
P
F
L
----
M
---
T
A
-----
L
L
LSIP
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
TLG
I
V
A
G
L
C
C
A
M
--------
V
L
V
M
G
F
V
G
AGA
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
----------------------------------------------------------------------------------
32
Fugue
73.98
20%
-114
- 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
LLLSI
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
SHP
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
-------------------------------------------------
12
PsiBlast_PDB
73.96
19%
-112
- C4 -
4XNI
10
?
A:
[16-444]
------------------------------------------------------------------
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
L
-----
H
I
T
----
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
Y
L
---
R
P
T
D
--
P
-
L
A
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
G
--
W
N
S
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
RVD
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
--------------------------------------------------------------------------------------
11
PsiBlast_PDB
69.87
19%
-117
- C4 -
4D2B
8
?
A:
[16-444]
------------------------------------------------------------------
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
L
-----
H
I
T
----
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
Y
L
---
R
P
T
D
--
P
-
L
A
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
G
--
W
N
S
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
RVD
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
--------------------------------------------------------------------------------------------
10
PsiBlast_PDB
69.30
19%
-109
- C4 -
4APS
-
?
A:
[16-444]
------------------------------------------------------------------
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
L
-----
H
I
T
----
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
Y
L
---
R
P
T
D
--
P
-
L
A
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
G
--
W
N
S
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
RVD
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
---------------------------------------------------------------------------------------------
39
Fugue
66.06
19%
-102
- C2 -
4PKF
3
?
A:
[8-864]
K
V
L
E
Y
KG
K
K
L
N
F
T
P
E
D
P
A
E
E
T
I
P
A
D
E
L
H
-------------
E
H
--
L
QK
P
S
T
A
R
T
---
K
R
L
K
E
R
C
R
W
K
H
A
S
A
G
E
F
I
E
K
-
S
V
T
A
G
---------
I
--
E
R
M
R
Y
L
----
T
---
E
A
-----
H
K
-----
A
S
E
----
G
K
P
E
A
I
R
R
A
L
G
L
A
N
V
L
N
K
-
S
T
L
V
L
Q
E
D
E
F
I
V
G
Y
H
-------
A
E
D
P
N
M
F
P
L
-
Y
P
E
L
S
H
M
A
V
Q
D
Y
L
R
SDYSPQ
P
A
D
E
A
A
A
I
N
E
Y
W
K
P
H
S
L
Q
S
K
C
Q
P
Y
F
D
P
A
D
L
G
R
M
Y
Q
VSSMEAPSFASG
Y
N
S
I
V
P
P
Y
E
T
V
L
E
D
G
L
-
L
A
R
I
K
L
A
E
K
H
I
A
E
A
Q
A
D
M
S
T
F
P
W
N
--
G
T
K
--
G
L
D
---
N
I
A
K
I
D
N
W
K
A
M
V
I
A
C
K
A
V
I
S
W
A
R
R
Q
G
R
L
C
K
I
V
A
E
N
F
E
T
D
P
K
R
Q
A
E
L
L
E
I
A
-
D
I
C
Q
R
I
P
A
E
P
C
K
G
L
K
D
A
M
Q
A
K
F
F
T
F
L
I
C
H
A
I
E
R
Y
A
S
G
YAQK
E
D
T
L
L
W
P
Y
Y
K
A
S
---
V
V
D
K
K
F
Q
P
M
S
H
M
D
A
V
E
L
V
E
M
E
R
L
-------------------------
K
I
S
E
H
G
A
G
--------
K
S
R
A
-----------
Y
R
E
I
F
P
G
S
N
D
L
F
I
L
T
V
G
GTN
A
K
G
-----
E
D
A
C
N
D
M
T
D
A
I
---
L
---
E
A
A
K
R
I
R
T
A
E
P
S
------------
I
V
F
R
Y
SKKNR
E
K
T
L
---------
R
W
V
F
E
C
I
R
D
G
L
G
Y
P
S
I
K
H
D
E
I
G
T
E
Q
M
-
K
E
Y
A
K
F
SLN
G
N
------------
G
A
T
D
E
E
A
H
N
W
V
NVLC
M
S
P
G
I
H
G
RRKTQKTRSE
G
G
G
S
I
F
P
A
K
L
L
E
I
S
L
N
D
GYDWSYADMQLGPKTGDLSSLKS
F
E
D
V
W
E
A
F
R
K
Q
Y
Q
Y
A
I
------
N
--
L
C
I
S
T
K
D
V
S
R
Y
F
E
Q
R
F
L
Q
M
P
F
V
S
A
I
D--
D
G
C
M
E
L
G
M
DACALSE
Q
P
N
G
W
H
N
-
P
I
T
T
I
V
A
A
N
S
L
V
A
I
K
K
L
V
F
E
-
E
K
-----------
K
Y
T
L
E
Q
L
S
Q
A
L
K
A
N
WEGF
E
E
M
R
V
D
F
K
R
A
P
K
W
G
N
D
D
D
Y
A
D
G
I
I
T
-----
R
F
Y
E
E
I
I
G
G
E
M
R
K
ITN
Y
S
G
G
P
V
M
P
T
G
Q
A
V
G
L
Y
M
E
V
-
G
S
R
TGPTPDGRFGGEAADDG
G
I
-
S
P
Y
M
G
T
DKKG
P
T
A
V
L
R
S
V
S
K
V
Q
---
K
N
--
Q
K
G
N
L
L
N
Q
R
L
S
V
P
I
M
R
S
K
H
G
F
E
I
W
N
S
Y
I
K
T
----
W
H
D
L
NID
H
V
Q
F
N
VVS
T
D
E
M
R
A
A
Q
R
E
P
E
K
H
H
D
L
I
V
R
V
S
G
YSARFVDIP
T
Y
G
Q
N
T
I
I
A
RQE
Q
D
F
S
A
S
D
L
E
F
L
NVEI
35
Fugue
63.61
13%
-129
- C4 -
1PW4
-
GLPT_ECOLI
A:
[5-451]
-------------
F
K
P
A
P
H
K
A
R
L
P
A
A
E
I
-----------------------------
D
P
T
Y
R
R
L
R
W
Q
I
F
L
G
I
F
F
G
Y
A
-
A
Y
Y
L
V
---------
R
K
N
F
A
L
A
M
P
----
Y
---
L
V
-----
E
Q
-----
G
F
S
----
R
G
-
D
L
G
F
A
L
S
G
I
---
S
I
A
-
Y
G
F
S
K
F
I
M
G
S
V
S
D
R
S
-------
N
P
R
V
F
L
P
A
G
-
L
I
L
A
-
A
A
V
M
L
F
M
G
-------
F
V
P
W
A
T
S
S
I
A
-----------------------------------------------
V
M
F
V
L
L
-
F
----
L
C
G
W
F
Q
G
M
G
W
P
P
C
G
R
T
M
V
H
--
W
-----
W
S
---
Q
K
E
R
G
G
I
V
S
V
W
N
--------
C
A
H
N
V
G
G
G
I
P
P
L
L
F
L
L
G
M
--------
A
W
F
N
-
D
W
H
A
A
L
Y
M
P
A
F
C
A
I
L
------
V
A
L
F
A
F
A
M
M
-----------------------------------------------
R
D
-------------------------
T
P
Q
S
C
G
L
P
--------
P
I
E
E
-----------
Y
K
N
D
T
A
K
Q
------------
I
F
M
-----
Q
Y
V
L
P
--
N
K
L
L
---
W
---
Y
I
A
I
A
N
V
F
V
Y
L
L
------------
R
Y
G
I
L
-----
D
W
S
P
---------
T
Y
L
K
E
V
K
H
--
F
A
L
D
K
S
S
W
A
Y
F
L
Y
E
Y
A
-
G
I
P
G
T
----
L
L
------------
C
G
W
M
S
D
K
--
V
F
RGN--------------------------------------------------------------------
R
G
A
T
G
V
------
F
--
F
M
T
L
V
T
I
A
T
I
V
Y
W
M
N
P
A
G
N
P
T
V
D
M
I
---
C
M
I
V
I
G
F
L
------------
I
Y
-
G
P
V
M
L
I
G
L
H
A
L
E
L
----------------------------------------------------------------------------------------
A
P
K
K
A
A
G
T
A
A
G
F
T
G
L
F
-
G
-------------------
Y
L
G
G
S
V
A
A
S
----
A
I
V
G
Y
T
V
D
F
F
G
W
----------------
D
G
G
F
M
V
M
I
G
-
G
S
I
L
A
V
I
L
L
I
V
----
V
M
-------------
I
G
E
K
R
R
H
E
Q
L
L
Q
E
L
V
P
-------------------------------------------
40
Fugue
63.15
17%
-103
- C1 -
4Y9J
4
?
A:
[1-592]
----------T
I
T
A
R
H
T
Q
Y
S
H
A
K
T
G
G
F
S
Q
T
G
P
TLHNPYKDD
P
I
--
L
--
D
R
T
L
R
R
L
L
P
E
S
E
Y
M
R
V
A
A
D
L
S
K
F
G
D
R
I
T
S
E
V
E
H
L
G
---------
R
Q
A
E
L
E
Q
P
R
----
L
---
E
H
-----
Q
D
-----
A
W
G
----
K
R
-
V
D
K
L
I
V
C
N
E
---
W
H
K
-
L
K
Q
I
C
A
E
E
G
V
I
S
I
G
Y
EDSVD
P
F
V
R
R
I
H
Q
V
A
K
-
L
F
L
F
-
S
P
S
A
G
L
V
S
-------
C
P
M
A
M
T
D
G
A
V
K
T
L
T
S
L
--
N
L
Y
G
K
H
K
L
A
T
E
A
V
D
R
----------------
L
R
S
R
D
P
S
K
A
W
T
S
G
Q
W
M
----
T
E
K
K
G
G
S
D
V
A
G
G
C
D
T
Y
A
V
Q
--
I
D
K
--
D
--------
T
Y
R
L
H
G
Y
K
W
--------
F
S
S
A
V
D
A
D
V
A
L
T
L
A
R
I
V
D
--------
S
D
------
G
N
A
L
E
-
G
S
R
G
L
S
------
L
F
L
L
K
-------------------
I
R
D
E
S
G
N
L
---
N
G
I
Q
M
V
R
-
L
K
N
K
L
G
T
K
Q
L
P
T
A
E
L
-------------------------
L
L
D
G
A
I
A
E
--------
R
I
G
D
-----------
Q
G
R
G
V
A
G
I
------------
S
N
M
-----
L
N
I
T
R
--
I
H
N
A
---
V
---
A
S
L
G
Y
M
R
R
I
I
S
L
------------
A
R
D
Y
S
-----
T
K
R
V
---------
V
F
---
G
Q
T
--
Q
S
K
W
P
L
H
T
T
T
L
A
K
M
E
V
-
D
T
R
------
G
S
------------
M
L
L
L
F
E
A
--
A
R
-----------------------------------------------------------------------
L
L
G
L
S
E
------
A
GK
S
S
D
V
E
A
M
M
L
R
L
I
T
P
V
L
-
K
L
Y
A
G
K
Q
A
---
V
P
M
V
S
E
G
I
E
-----------
C
F
-
G
-----
G
Q
G
Y
M
E
D
T
G
L
P
T
L
L
-
R
D
A
Q
V
T
P
I
WEGT
T
N
V
L
S
L
D
V
L
R
V
F
-----------
S
G
K
E
N
I
L
L
A
F
G
K
R
V
E
Q
L
L
G
N
T
KTED
E
K
L
K
K
S
K
E
A
V
E
S
A
----
L
K
Q
L
Q
K
L
L
V
K
A
S
D
S
A
I
Q
G
E
-
T
-------------------
R
I
-
D
S
V
A
R
H
----
I
A
F
T
I
A
R
I
Y
S
G
A
L
L
I
D
H
A
S
D
S
S
V
A
N
Q
S
D
I
E
V
A
Y
R
Y
C
C
-
E
-
Q
P
L
I
D
L
R
W
E
----
W
F
-------------
A
S
E
R
V
K
A
D
R
E
I
V
-
F
D
N
-
F
T
----------------------------------------
34
Fugue
56.49
10%
-109
- C4 -
1PV6
-
LACY_ECOLI
A:
[1-417]
----------------------------------------------------------
M
Y
Y
L
K
N
T
N
F
W
M
F
G
L
F
F
F
F
Y
-
F
F
I
M
G
---------
A
Y
F
P
F
F
P
I
W
----
L
---
H
D
-----
I
N
-----
H
I
S
----
K
S
-
D
T
G
I
I
F
A
A
I
---
S
L
F
-
S
L
L
F
Q
P
L
F
G
L
L
S
D
K
L
-------
G
L
R
K
Y
L
L
W
I
-
I
T
G
M
-
L
V
M
F
A
P
F
F
-------
I
F
I
F
G
P
L
L
Q
-----------------------------------------------
Y
N
I
L
V
G
S
-
I
----
V
G
G
I
Y
L
G
F
C
F
N
A
G
A
P
A
V
E
A
--
F
I
E
--
K
V
S
---
R
R
S
N
F
E
-
F
G
R
A
R
--------
M
F
G
C
V
G
W
A
L
G
A
S
I
V
G
I
M
F
--------
T
I
-
N
-
N
Q
F
V
F
W
L
G
S
G
C
A
L
I
L
------
A
V
L
L
F
F
A
K
T
D
-------------
A
P
S
S
A
T
V
A
N
---
A
V
G
A
----------------------------------------------------------------------------
N
H
S
A
F
S
L
------------
K
L
A
-----
L
E
L
F
R
--
Q
P
K
L
---
W
---
F
L
S
L
Y
V
I
G
V
S
C
T
------------
Y
D
V
F
D
-----
Q
Q
F
A
---------
N
F
F
T
S
F
F
A
-----------------------
T
----
G
E
------------
Q
G
T
R
V
F
G
--
Y
V
-----------------------------------------------------------------------
T
T
M
G
E
L
------
L
--
N
A
S
I
M
F
F
A
P
L
I
I
N
R
I
G
G
K
N
A
L
L
L
A
G
---
T
I
M
S
V
R
I
I
------------
G
S
-
S
F
A
T
----------------------------------------------------------
S
A
L
E
V
V
I
L
K
T
L
H
M
F
E
-----
V
P
F
L
L
V
G
C
F
K
Y
I
----
T
S
Q
F
E
V
R
F
S
A
T
I
Y
L
V
C
F
C
F
F
K
-------------------
Q
L
-
A
M
I
F
M
S
----
V
L
A
G
N
M
Y
E
S
I
G
------------------
F
Q
G
A
Y
L
V
L
-
G
L
V
A
L
G
F
T
L
I
S
----
V
F
-------------
T
L
S
G
P
G
P
L
S
L
L
R
R
Q
V
N
-
E
V
A
---------------------------------------
6
PsiBlast_PDB
55.73
28%
-116
- C4 -
4IKW
6
?
A:
[28-204]
--------------------------------------------------------------------
L
F
F
T
E
F
W
E
R
-
F
S
Y
Y
G
---------
M
R
A
I
L
V
Y
Y
M
----
Y
YEV
S
K
-----
G
G
-----
L
G
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
-----------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
55.04
28%
-117
- C4 -
4IKY
5
?
A:
[28-204]
--------------------------------------------------------------------
L
F
F
T
E
F
W
E
R
-
F
S
Y
Y
G
---------
M
R
A
I
L
V
Y
Y
M
----
Y
YEV
S
K
-----
G
G
-----
L
G
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
Q
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
-----------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
54.79
28%
-115
- C4 -
4IKX
1
?
A:
[28-204]
--------------------------------------------------------------------
L
F
F
T
E
F
W
E
R
-
F
S
Y
Y
G
---------
M
R
A
I
L
V
Y
Y
M
----
Y
YEV
S
K
-----
G
G
-----
L
G
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
Q
Q
G
S
T
I
L
A
N
-
Y
A
D
K
R
----
T
Q
------------
L
D
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
----------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
54.43
28%
-118
- C4 -
4IKZ
1
?
A:
[28-204]
--------------------------------------------------------------------
L
F
F
T
E
F
W
E
R
-
F
S
Y
Y
G
---------
M
R
A
I
L
V
Y
Y
M
----
Y
YEV
S
K
-----
G
G
-----
L
G
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
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
--
Q
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
--------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
54.08
28%
-114
- C4 -
4IKV
2
?
A:
[28-204]
--------------------------------------------------------------------
L
F
F
T
E
F
W
E
R
-
F
S
Y
Y
G
---------
M
R
A
I
L
V
Y
Y
M
----
Y
YEV
S
K
-----
G
G
-----
L
G
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
------------------------------------------------------------------------------------------------------
36
Fugue
49.44
16%
-71
- C3 -
1BCC
6
CYB_CHICK
C:
[2-380]
-----------
A
-
P
N
I
R
K
S
H
P
L
L
K
M
I
N
N
-------------
S
L
ID
L
--
P
A
P
S
N
I
---
S
A
W
W
N
F
G
S
L
L
A
V
C
L
M
T
Q
I
L
T
-
G
L
L
L
A
M
H
YTADTSL
A
F
S
S
V
A
H
T
C
----
R
---
N
V
-----
Q
Y
-----
G
W
L
----
I
R
-
N
L
H
A
N
G
A
S
F
---
F
F
I
-
C
I
F
L
H
I
G
R
G
L
Y
Y
G
S
Y
-------
L
Y
K
E
T
W
N
T
G
-
V
I
L
L
-
L
T
L
M
A
T
A
F
-------
V
G
Y
V
L
P
W
G
Q
M
S
F
W
G
A
T
V
I
T
N
L
F
S
A
I
P
Y
I
G
---------------------------------------------
H
T
L
V
E
W
A
W
G
G
F
S
V
D
-------------
N
P
T
L
T
R
F
F
A
L
H
F
--------
L
L
P
F
A
I
A
G
I
T
I
I
H
L
T
F
L
H
--------
E
S
------
G
S
N
N
P
L
G
I
S
S
D
S
------
D
K
I
P
F
H
--
P
Y
-------------
Y
S
F
K
D
I
L
G
L
---
T
L
M
L
T
P
F
-
L
T
L
A
L
F
S
P
N
L
L
G
D
P
E
-------------------------
N
F
T
P
--------------
A
N
-----------
P
L
V
T
P
P
H
I
------------
K
P
E
-----
W
Y
F
L
F
--
A
Y
A
I
---
L
---
R
S
I
P
------
N
K
------------
L
G
G
V
L
-----
A
L
A
A
---------
S
V
L
I
L
F
L
-----
I
P
F
L
H
K
S
K
Q
R
T
M
T
F
-
R
P
L
S
Q
----
T
L
------------
F
W
L
L
V
A
N
--
L
L
-----------------------------------------------------------------------
I
L
T
W
I
G
S
QPVEH
P
--
F
I
I
I
G
Q
M
A
S
L
S
Y
F
T
I
L
L
I
L
F
P
T
I
G
T
---
L
E
N
K
M
L
N
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
28
HHSearch
48.04
14%
-111
- C4 -
3O7Q
-
FUCP_ECOLI
A:
[261-421]
------------------------------------------------------------------
R
W
A
V
L
A
Q
F
C
Y
V
-
G
A
Q
T
A
---------
C
W
S
Y
L
I
R
Y
A
----
V
---
E
E
I----
P
G
------
M
T
----
A
G
-
F
A
A
N
Y
L
T
G
T
---
M
V
C
-
F
F
I
G
R
F
T
G
T
W
L
I
S
R
--------
F
A
P
H
K
V
L
A
A
-
Y
A
L
I
-
A
M
A
L
C
L
I
S
-------
A
F
A
G
--------------------------------------------------
G
H
V
G
-
L
I
A
L
-
T
----
L
C
S
A
F
M
S
I
Q
Y
P
T
I
F
S
L
G
I
K
--
N
L
G
--
Q
D
------
T
K
-
Y
G
S
S
F
I
---------
V
M
T
I
I
G
G
G
I
V
T
P
V
M
G
F
V
S
--------
D
A
A
G
N
I
P
T
A
E
L
I
P
A
L
C
F
A
V
I
------
F
I
F
A
R
F
R
S
Q
T
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------