@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 : jhp_0108: (2015-12-12 )
MKHLIIVESPAKAKTIKNFLDKNYEVVASKGHVRDLSKFALGIKIDETGFTPNYVVDKDHKELVKQIIELSKKASITYIATDEDREGEAIGYHVACLIGGKLESYPRIVFHEITQNAILNVLKTPRKIDMFKVNAQQARRLLDRIVGFKLSSLIASKITKGLSAGRVQSAALKLVIDREKEIRPFKPLTYFTLDALFEPHLEAQLISYKGNKLKAQELIDEKKAQEIKNELEKESYIISSIIKKSKKSPTPPPFMTSTLQQSASSLLGFSPTKTMSIAQKLYEGVATPQGVMGVITYMRTDSLNIAKEALEEARAKILKDYGKDYLPPKAKVYSSKNKNAQEAHEAIRPTSIILEPNALKDYLKPEELKLYTLIYKRFLASQMQDALFESQSVVVACEKGEFKASGRKLLFDGHYKILGNDDKDKLLPNLKENDPIKLEKLESNAHVTEPPARYSEASLIKVLESLGIGRPSTYAPTISLLQNRDYIKVEKKQISALESAFKVIEILEKHFEEIVDSKFSASLEEELDNIAQNKADYQQVLKDFYYPFMDKIEAGKKNIISQKVHEKTGQSCPKCGGELVKKNSRYGEFIACNNYPKCKYIKQTENANDEAKQELCEKCGGEMVQKFSRNGAFLACNNYPECKNTKSLKNTPNAKETIEGVKCPECGGDIALKRSKKGSFYGCNNYPKCNFLSNHKPINKRCEKCHYLMSERIYRKKKAHECIQCKERVFLEEDNG
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.......710.......720.......730....
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------M
K
H
-----------
L
I
I
VESPAK
A
K
T
I
K
N
F
L
-------------------DK----------N----------
Y
E
V
V
---------ASKG
H
V
R
D
L
----
S
KF
A
--
L
-
G
-----
I
K
-
I
DETGFTP---N
Y
-------------
V
-VDK-------------------------
D
H
------------
K
E
L
V
K
Q
I
I
E
LSKKA
S
I
T
Y
I
ATDEDREG
E
A
I
G
Y
H
V
A
C
L
IGGK
L
E
SY
P
R
I
V
F
H
E
I
T
Q
N
A
I
L
N
V
LKTPRK
I
D
M
F
K
V
N
A
Q
Q
A
R
R
L
L
D
R
I
V
G
F
K
L
S
S
L
I
A
S
K
I
-
T
-
K
G
-
L
SAG
R
V
Q
S
A
A
L
K
L
V
IDREKEIRP-F-KP
L
T
Y
F
T
L
D
A
-
L
FEPH----LE
A
Q
L
ISYKGNKL
K
A
Q
E
L
I
D
E
K
K
A
Q
E
I
K
--
N
E
L
E
K
E
S
Y
I
I
S
S
I
I
K
K
SKKSPTPP
P
F
M
T
S
T
L
Q
Q
S
A
S
S
LLGFSPT
K
T
M
S
I
A
Q
K
L
Y
E
GVAT
P
Q
G
V
M
G
V
I
T
Y
MRTD
S
L
N
I
A
K
E
A
L
E
E
A
R
A
K
I
L
K
D
YGKDYLPPKA
K
V
YSSKNK
N
A
Q
E
A
H
E
AIRP
T
S
---------
I
I
--------L
E
P
N
A
L
K
D
YL
K
P
E
E
L
K
L
Y
T
L
I
Y
K
R
F
L
A
S
Q
M
Q
D
A
L
FESQ
S
V
V
V
A
CE-KG--EFKASG
R
K
L
--
L
FDG
H
Y
K
I---LGND
D
K
D
-
K
-LL-----PNLKENDP
I
K
L
E
KLESNAHVTEPPARY
S
E
A
S
L
I
K
V
L
E
S
LGIGRPSTYA
P
T
I
S
L
LQNR
D
Y
I
K
V
E
K
-
K
Q
I
S
A
L
E
S
A
F
K
V
I
E
I
L
E
K
H
F
E
E
I
V
D
S
K
F
S
A
S
L
E
E
E
L
D
N
I
AQ
N
K
A
D
Y
Q
Q
V
L
K
D
F
Y
Y
P
F
M
D
K
I
EAG
K
K
N
I
I
S
Q
K
V
H
E
K
TGQSCPKC
G
G
E
L
V
KKNSRYG
E
F
I
A
CNNYPK
C
K
Y
I
KQTENA
N
D
E
A
K
Q
E
L
C
E
KC
G
G
E
M
V
Q
K
FSRNG
A
F
L
ACNNYPECKNTKSLKNTP
N
A
K
E
TIEGVKCPECGGD
I
A
L
K
RSKKGSFYGCNNYPKCNFLSNHK
P
I
N
K
R
C
E
K
C
H
Y
L
M
S
E
R
I
Y
R
K
K
K
A
H
E
C
I
Q
C
K
E
R
V
F
LEEDNG
23
HHSearch
82.15
42%
-70
- C4 -
1MW9
9
TOP1_ECOLI
X:
[2-581]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
K
A
-----------
L
V
I
V
E
S
P
A
K
A
K
T
I
N
K
Y
L
-------------------
G
S
----------
D
----------
Y
V
V
K
---------
S
S
V
G
H
I
R
D
L
----
P
T
-------ERGAL
V
N
R
M
G
V
D
P
W
H
N
WEA
H
Y
-------------
E
-
V
L
P
-------------------------
G
K
------------
E
K
V
V
S
E
L
K
Q
L
A
E
K
A
D
H
I
Y
L
A
T
D
L
D
R
E
G
E
A
I
A
W
H
L
R
E
V
I
G
G
D
D
A
R
Y
S
R
V
V
F
N
E
I
T
K
N
A
I
R
Q
A
F
N
K
P
G
E
L
N
I
D
R
V
N
A
Q
Q
A
R
R
F
M
D
R
V
V
G
Y
M
V
S
P
L
L
W
K
K
I
-
A
-
R
G
-
L
S
A
G
R
V
Q
S
V
A
V
R
L
V
V
E
R
E
R
E
I
K
A
-
F
-
V
P
E
E
F
W
E
V
D
A
-
S
T
T
T
P
SGEA
L
A
L
Q
V
T
H
Q
N
---
D
K
P
F
R
P
V
N
K
E
Q
T
Q
A
A
V
--
S
L
L
E
K
A
R
Y
S
V
L
E
R
E
D
K
P
T
T
S
K
P
G
A
P
F
I
T
S
T
L
Q
Q
A
A
S
T
R
L
G
F
G
V
K
K
T
M
M
M
A
Q
R
L
Y
E
A
--------
G
Y
I
T
Y
M
R
T
D
S
T
N
L
S
Q
D
A
V
N
M
V
R
G
Y
I
S
D
N
F
G
K
K
Y
L
P
E
S
P
N
Q
Y
-
A
--------
R
E
A
I
R
P
S
D
---------
V
N
--------
V
M
A
E
S
L
K
D
-
M
E
A
D
A
Q
K
L
Y
Q
L
I
W
R
Q
F
V
A
C
Q
M
T
P
A
K
Y
D
S
T
T
L
T
V
G
A
G
-
D
F
--
R
L
K
A
R
G
R
I
L
--
R
F
D
G
W
T
K
V
---
M
P
A
L
---E
D
R
I
L
-----
P
A
V
N
K
G
D
A
L
T
L
V
E
L
T
P
A
Q
H
F
T
K
P
P
A
R
F
S
E
A
S
L
V
K
E
L
E
K
R
G
I
G
R
P
S
T
Y
A
S
I
I
S
T
I
Q
D
R
G
Y
V
R
V
E
N
-
R
R
F
Y
A
E
K
M
G
E
I
V
T
D
R
L
E
E
N
F
R
E
L
M
N
Y
D
F
T
A
Q
M
E
N
N
L
D
Q
V
A
N
H
E
A
E
W
K
A
V
L
D
H
F
F
S
D
F
T
Q
Q
L
D
K
A
E
K
D
P
E
E
G
G
M
R
P
N
Q
M
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------
48
Fugue
81.64
41%
-53
- C4 -
2GAI
-
TOP1_THEMA
A:
[7-601]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
-----------
Y
I
V
V
E
S
P
A
K
A
K
T
I
K
S
I
L
-------------------
G
N
----------
E
----------
Y
E
V
F
---------
A
S
M
G
H
I
I
D
L
----
P
K
S
K
--
F
-
G
-----
V
D
-
L
E
K
-
D
F
E
P
---
E
F
-------------
A
-
V
I
K
-------------------------
G
K
------------
E
K
V
V
E
K
L
K
D
L
A
K
K
G
E
L
-
L
I
A
S
D
M
D
R
E
G
E
A
I
A
W
H
I
A
R
V
T
N
T
L
-
G
R
K
N
R
I
V
F
S
E
I
T
P
R
V
I
R
E
A
V
K
N
P
R
E
I
D
M
K
K
V
R
A
Q
L
A
R
R
I
L
D
R
I
V
G
Y
S
L
S
P
V
L
W
R
N
F
-
K
-
S
N
-
L
S
A
G
R
V
Q
S
A
T
L
K
L
V
C
D
R
E
R
E
I
L
R
-
F
-
V
P
K
K
Y
H
R
I
T
V
-
N
F
D
--------
G
L
T
A
E
I
D
V
K
E
K
K
F
F
D
------
A
E
T
L
K
--
E
I
Q
S
I
D
E
L
V
V
E
E
K
K
V
S
V
K
K
F
A
P
P
E
P
F
K
T
S
T
L
Q
Q
E
A
Y
S
K
L
G
F
S
V
S
K
T
M
M
I
A
Q
Q
L
Y
E
G
V
E
T
K
D
G
H
I
A
F
I
T
Y
M
R
T
D
S
T
R
V
S
D
Y
A
K
E
E
A
R
N
L
I
T
E
V
F
G
E
E
Y
---------------
V
G
A
H
E
A
I
R
P
T
N
---------
V
F
--------
M
T
P
E
E
A
G
K
Y
L
N
S
D
Q
K
K
L
Y
E
L
I
W
K
R
F
L
A
S
Q
M
K
P
S
Q
Y
E
E
T
R
F
V
L
R
T
K
-
D
G
K
Y
R
F
K
G
T
V
L
K
K
--
I
F
D
G
Y
E
K
V
---
W
K
T
E
R
N
T
-
G
-
E
------
F
P
F
E
E
G
E
S
V
K
P
V
V
V
K
I
E
E
Q
E
T
K
P
K
P
R
Y
T
E
G
S
L
V
K
E
M
E
R
L
G
I
G
R
P
S
T
Y
A
S
T
I
K
L
L
L
N
R
G
Y
I
K
K
I
R
-
G
Y
L
Y
P
T
I
V
G
S
V
V
M
D
Y
L
E
K
K
Y
S
D
V
V
S
V
S
F
T
A
E
M
E
K
D
L
D
E
V
E
Q
G
K
K
T
D
K
I
V
L
R
E
F
Y
E
S
F
S
S
V
F
D
R
N
D
R
I
V
V
-----
D
F
P
T
N
Q
K
C
S
C
G
K
E
M
R
L
S
F
G
K
Y
G
F
Y
L
K
C
------------------------------------------------
E
C
G
K
T
R
S
V
K
N
D
E
I
A
V
I
D
---------
D
G
K
I
F
L
----------------------------------------------------------------
21
HHSearch
81.64
42%
-68
- C4 -
2GAI
-
TOP1_THEMA
A:
[7-587]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
-----------
Y
I
V
V
E
S
P
A
K
A
K
T
I
K
S
I
L
-------------------
G
N
----------
E
----------
Y
E
V
F
---------
A
S
M
G
H
I
I
D
L
----
P
K
S
K
--
F
-
G
-----
V
D
-
L
E
K
-
D
F
E
P
---
E
F
-------------
A
-
V
I
K
-------------------------
G
K
------------
E
K
V
V
E
K
L
K
D
L
A
K
K
-
G
E
L
L
I
A
S
D
M
D
R
E
G
E
A
I
A
W
H
I
A
R
V
T
N
T
L
-
G
R
K
N
R
I
V
F
S
E
I
T
P
R
V
I
R
E
A
V
K
N
P
R
E
I
D
M
K
K
V
R
A
Q
L
A
R
R
I
L
D
R
I
V
G
Y
S
L
S
P
V
L
W
R
N
F
-
K
-
S
N
-
L
S
A
G
R
V
Q
S
A
T
L
K
L
V
C
D
R
E
R
E
I
L
R
-
F
-
V
P
K
K
Y
H
R
I
T
V
-
N
F
D
G
-----
L
T
A
E
I
D
V
------
K
E
K
K
F
F
D
A
E
T
L
K
E
I
Q
--
S
---
I
D
E
L
V
V
E
E
K
K
V
S
V
K
K
F
A
P
P
E
P
F
K
T
S
T
L
Q
Q
E
A
Y
S
K
L
G
F
S
V
S
K
T
M
M
I
A
Q
Q
L
Y
E
G
V
E
T
K
D
G
H
I
A
F
I
T
Y
M
R
T
D
S
T
R
V
S
D
Y
A
K
E
E
A
R
N
L
I
T
E
V
F
G
E
E
Y
V
G
---------------
A
H
E
A
I
R
P
T
N
---------
V
F
--------
M
T
P
E
E
A
G
K
Y
L
N
S
D
Q
K
K
L
Y
E
L
I
W
K
R
F
L
A
S
Q
M
K
P
S
Q
Y
E
E
T
R
F
V
L
R
T
K
-
D
G
--
K
Y
R
F
K
G
T
V
L
K
K
I
F
D
G
Y
E
K
V
---
W
K
T
E
R
N
--
T
-
G
E
-----
F
P
F
E
E
G
E
S
V
K
P
V
V
V
K
I
E
E
Q
E
T
K
P
K
P
R
Y
T
E
G
S
L
V
K
E
M
E
R
L
G
I
G
R
P
S
T
Y
A
S
T
I
K
L
L
L
N
R
G
Y
I
K
K
I
R
-
G
Y
L
Y
P
T
I
V
G
S
V
V
M
D
Y
L
E
K
K
Y
S
D
V
V
S
V
S
F
T
A
E
M
E
K
D
L
D
E
V
E
Q
G
K
K
T
D
K
I
V
L
R
E
F
Y
E
S
F
S
S
V
F
D
R
N
D
R
I
----
V
V
D
F
P
T
N
Q
K
C
S
-
C
G
K
E
M
R
L
S
F
G
K
Y
G
F
Y
L
K
C
E
----
C
G
K
T
R
S
V
K
N
D
E
I
A
V
I
D
D
G
K
I
F
L
---------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
81.42
41%
-71
- C4 -
2GAJ
-
TOP1_THEMA
A:
[7-578]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
-----------
Y
I
V
V
E
S
P
A
K
A
K
T
I
K
S
I
L
-------------------
G
N
----------
E
----------
Y
E
V
F
---------
A
S
M
G
H
I
I
D
L
----
P
K
S
K
--
F
-
G
-----
V
D
-
L
-
E
K
D
F
E
P
---
E
F
-------------
A
-
V
I
K
-------------------------
G
K
------------
E
K
V
V
E
K
L
K
D
L
A
K
K
G
E
L
-
L
I
A
S
D
M
D
R
E
G
E
A
I
A
W
H
I
A
-
R
V
T
N
T
L
G
R
K
N
R
I
V
F
S
E
I
T
P
R
V
I
R
E
A
V
K
N
P
R
E
I
D
M
K
K
V
R
A
Q
L
A
R
R
I
L
D
R
I
V
G
Y
S
L
S
P
V
L
W
R
N
F
-
K
-
S
N
-
L
S
A
G
R
V
Q
S
A
T
L
K
L
V
C
D
R
E
R
E
I
L
R
-
F
-
V
P
K
K
Y
H
R
I
T
V
-
N
F
D
-
G
----
L
T
A
E
I
------
D
V
K
E
K
K
F
F
D
A
E
T
L
K
E
I
Q
S
I
D
E
L
V
V
E
E
K
K
V
S
-----
V
K
K
F
A
P
P
E
P
F
K
T
S
T
L
Q
Q
E
A
Y
S
K
L
G
F
S
V
S
K
T
M
M
I
A
Q
Q
L
Y
E
G
V
E
T
K
D
G
H
I
A
F
I
T
Y
M
R
T
D
S
T
R
V
S
D
Y
A
K
E
E
A
R
N
L
I
T
E
V
F
G
E
E
Y
V
G
---------------
A
H
E
A
I
R
P
T
N
---------
V
F
--------
M
T
P
E
E
A
G
K
Y
L
N
S
D
Q
K
K
L
Y
E
L
I
W
K
R
F
L
A
S
Q
M
K
P
S
Q
Y
E
E
T
R
F
V
L
R
T
K
-
D
G
--
K
Y
R
F
K
G
T
V
L
K
K
I
F
D
G
Y
E
K
V
---
W
K
T
E
R
N
T
-
G
-
E
F
-----
P
-
F
E
E
G
E
S
V
K
P
V
V
V
K
I
E
E
Q
E
T
K
P
K
P
R
Y
T
E
G
S
L
V
K
E
M
E
R
L
G
I
G
R
P
S
T
Y
A
S
T
I
K
L
L
L
N
R
G
Y
I
K
K
I
R
-
G
Y
L
Y
P
T
I
V
G
S
V
V
M
D
Y
L
E
K
K
Y
S
D
V
V
S
V
S
F
T
A
E
M
E
K
D
L
D
E
V
E
Q
G
K
K
T
D
K
I
V
L
R
E
F
Y
E
S
F
S
S
V
F
D
R
N
D
R
I
V
----
V
D
F
P
T
N
Q
K
C
S
-
C
G
K
E
M
R
L
S
F
G
K
Y
G
F
Y
L
K
C
E
C
G
K
T
R
S
V
K
N
D
E
I
A
V
I
D
D
G
K
I
F
L
-------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
81.29
41%
-70
- C4 -
2GAI
-
TOP1_THEMA
A:
[7-578]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
-----------
Y
I
V
V
E
S
P
A
K
A
K
T
I
K
S
I
L
-------------------
G
N
----------
E
----------
Y
E
V
F
---------
A
S
M
G
H
I
I
D
L
----
P
K
S
K
--
F
-
G
-----
V
D
-
L
-
E
K
D
F
E
P
---
E
F
-------------
A
-
V
I
K
-------------------------
G
K
------------
E
K
V
V
E
K
L
K
D
L
A
K
K
G
E
L
-
L
I
A
S
D
M
D
R
E
G
E
A
I
A
W
H
I
A
-
R
V
T
N
T
L
G
R
K
N
R
I
V
F
S
E
I
T
P
R
V
I
R
E
A
V
K
N
P
R
E
I
D
M
K
K
V
R
A
Q
L
A
R
R
I
L
D
R
I
V
G
Y
S
L
S
P
V
L
W
R
N
F
-
K
-
S
N
-
L
S
A
G
R
V
Q
S
A
T
L
K
L
V
C
D
R
E
R
E
I
L
R
-
F
-
V
P
K
K
Y
H
R
I
T
V
-
N
F
D
-
G
----
L
T
A
E
I
------
D
V
K
E
K
K
F
F
D
A
E
T
L
K
E
I
Q
S
I
D
E
L
V
V
E
E
K
K
V
S
-----
V
K
K
F
A
P
P
E
P
F
K
T
S
T
L
Q
Q
E
A
Y
S
K
L
G
F
S
V
S
K
T
M
M
I
A
Q
Q
L
Y
E
G
V
E
T
K
D
G
H
I
A
F
I
T
Y
M
R
T
D
S
T
R
V
S
D
Y
A
K
E
E
A
R
N
L
I
T
E
V
F
G
E
E
Y
V
G
---------------
A
H
E
A
I
R
P
T
N
---------
V
F
--------
M
T
P
E
E
A
G
K
Y
L
N
S
D
Q
K
K
L
Y
E
L
I
W
K
R
F
L
A
S
Q
M
K
P
S
Q
Y
E
E
T
R
F
V
L
R
T
K
-
D
G
--
K
Y
R
F
K
G
T
V
L
K
K
I
F
D
G
Y
E
K
V
---
W
K
T
E
R
N
T
-
G
-
E
F
-----
P
-
F
E
E
G
E
S
V
K
P
V
V
V
K
I
E
E
Q
E
T
K
P
K
P
R
Y
T
E
G
S
L
V
K
E
M
E
R
L
G
I
G
R
P
S
T
Y
A
S
T
I
K
L
L
L
N
R
G
Y
I
K
K
I
R
-
G
Y
L
Y
P
T
I
V
G
S
V
V
M
D
Y
L
E
K
K
Y
S
D
V
V
S
V
S
F
T
A
E
M
E
K
D
L
D
E
V
E
Q
G
K
K
T
D
K
I
V
L
R
E
F
Y
E
S
F
S
S
V
F
D
R
N
D
R
I
V
----
V
D
F
P
T
N
Q
K
C
S
-
C
G
K
E
M
R
L
S
F
G
K
Y
G
F
Y
L
K
C
E
C
G
K
T
R
S
V
K
N
D
E
I
A
V
I
D
D
G
K
I
F
L
-------------------------------------------------------------------------------------------------------------------------
55
Fugue
81.25
31%
-47
- C4 -
4DDU
3
RGYR_THEMA
A:
[2-1103]
AVN
S
K
Y
H
HSCINCGGLNT
D
E
R
N
E
R
GLPCEVCLPEDSPSD
I
Y
R
A
L
L
E
R
KTLKE
Y
R
F
Y
H
E
F
W
N
E
Y
E
D
F
R
S
F
F
K
K
K
F
G
K
D
L
T
G
Y
Q
R
L
W
A
K
R
I
V
Q
G
K
S
F
T
MVAPTGVG
K
T
T
F
G
M
M
T
A
L
W
L
A
R
K
G
K
K
S
A
L
V
F
PT
V
T
L
V
K
Q
T
L
E
R
L
Q
K
L
ADEK
V
K
I
F
G
F
Y
SSMK
K
E
E
K
E
K
F
E
K
S
F
E
EDDYH
I
L
V
F
S
T
Q
F
V
S
K
N
R
E
K
L
S
Q
KRFD
F
V
F
V
DD
V
D
A
V
L
KA
S
R
N
I
D
T
L
L
M
M
VGIP
E
E
I
I
R
K
A
F
S
T
I
K
Q
G
K
I
Y
E
R
PKN
L
K
P
G
I
L
V
V
S
S
ATAKPRGIRP
L
L
F
R
D
L
LNFTVGRLVSVARN
I
T
H
V
R
I
SSRS
K
E
K
L
V
E
L
L
E
I
F
RDG
I
L
I
F
A
QT
E
E
E
G
K
E
L
Y
E
Y
L
K
R
F
KFNVGETWSEF
E
K
N
F
E
D
F
K
V
GKIN
I
L
I
G
V
Q
A
Y
Y
G
K
L
TRGVDLPERIK
Y
V
I
F
WG
T
P
S
M
R
F
S
LELDKAP
R
F
V
L
A
R
V
L
K
E
M
GLIK
A
Q
E
N
P
D
V
E
E
L
R
K
I
A
KEHLT
Q
K
E
F
V
E
K
V
K
E
M
FRGVVVKDEDL
E
L
I
I
P
D
V
Y
T
Y
I
Q
A
S
G
RSSRILNGVL
V
K
G
V
S
V
I
F
E
ED
E
E
I
F
E
S
L
K
T
R
L
L
L
IAE
E
E
I
I
E
EAEAN
W
K
E
L
V
H
E
V
E
E
S
R
R
R
S
E
R
E
L
T
D
T
S
R
S
L
L
I
I
V
E
S
P
T
K
A
E
T
L
S
R
F
L
-------------------
G
R
A
S
S
R
K
E
RN
I
I
V
----------
H
E
A
V
T
GE
G
V
I
L
F
T
A
T
R
G
H
V
Y
D
L
----
V
T
K
G
GI
H
-
G
-----
V
E
-
E
E
N
G
K
F
V
P
---
V
Y
-------------
N
-
S
L
K
R
C
RDCGYQFTEDRDECPVCSSKNID
D
K
------------
T
E
T
L
R
A
L
R
E
I
S
L
E
A
D
E
I
L
V
A
T
D
P
D
V
E
G
E
K
I
S
W
D
V
T
Q
Y
L
L
P
S
T
R
S
L
R
R
I
E
M
H
E
I
T
R
Y
G
F
K
K
A
R
E
S
V
R
F
V
D
F
N
L
V
K
A
Q
I
V
R
R
V
Q
D
R
W
I
G
F
E
L
S
G
K
L
Q
K
R
F
G
R
-
S
N
-
L
S
A
G
R
V
Q
S
T
V
L
G
W
I
V
E
R
E
E
E
Y
K
K
S
E
-
K
D
F
T
L
L
V
L
E
-------------------------------
N
G
V
N
L
E
V
E
--
G
K
I
A
D
D
V
V
T
V
V
E
L
Q
E
A
E
E
E
K
N
P
L
P
P
Y
T
T
S
S
A
L
S
E
I
S
Q
K
L
R
L
G
V
Q
E
V
M
D
I
L
Q
D
L
F
E
K
--------
G
F
I
T
Y
H
R
T
D
S
T
R
I
S
L
E
G
Q
N
V
A
R
T
Y
L
R
K
I
-------
G
K
E
D
I
F
M
G
R
S
W
S
T
E
G
A
H
E
A
I
R
P
V
K
---------
P
I
D
A
R
E
L
E
E
-
M
I
E
E
G
L
I
A
D
L
T
K
K
H
L
R
V
Y
E
L
I
F
N
R
F
L
A
S
Q
S
A
A
V
K
V
K
K
Q
I
V
T
V
D
V
D
G
K
R
--
M
G
I
E
Q
I
V
E
I
--
L
R
D
G
W
N
L
F
---
V
P
L
T
V
S
P
-
R
-
F
----------
E
H
R
T
Y
K
I
K
E
K
K
F
Y
K
K
H
T
V
P
L
--
F
T
Q
A
S
I
V
E
E
M
K
K
R
G
I
G
R
P
S
T
Y
A
K
I
V
E
V
L
F
R
R
G
Y
V
Y
E
D
K
Y
K
R
V
R
P
T
R
F
G
V
M
V
Y
S
Y
L
K
E
R
Y
E
K
Y
V
T
E
E
T
T
R
R
L
E
E
I
M
D
K
V
E
R
G
E
E
D
Y
Q
A
T
L
R
L
L
Y
E
E
I
K
S
L
M
E
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
80.81
40%
-67
- C4 -
1MW8
7
TOP1_ECOLI
X:
[3-581]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
A
-----------
L
V
I
V
E
S
P
A
K
A
K
T
I
N
K
Y
L
-------------------
G
S
----------
D
----------
Y
V
V
K
---------
S
S
V
G
H
I
R
D
L
PTSG------------------
D
E
R
G
A
L
V
---
N
R
-------------
M
G
V
D
P
-------------------------
W
H
NWEAHYEVLPGK
E
K
V
V
S
E
L
K
Q
L
A
E
K
A
D
H
I
Y
L
A
T
D
L
D
R
E
G
E
A
I
A
W
H
L
R
E
V
I
G
G
D
D
A
R
Y
S
R
V
V
F
N
E
I
T
K
N
A
I
R
Q
A
F
N
K
P
G
E
L
N
I
D
R
V
N
A
Q
Q
A
R
R
F
M
D
R
V
V
G
Y
M
V
S
P
L
L
W
K
K
I
-
A
-
R
G
-
L
S
A
G
R
V
Q
S
V
A
V
R
L
V
V
E
R
E
R
E
I
K
A
-
F
-
V
P
E
E
F
W
E
V
D
A
S
T
T
T
P
S
----
G
E
A
L
A
L
Q
V
T
H
Q
N
D
K
P
F
R
P
V
N
K
E
Q
T
Q
A
A
V
--
S
L
L
E
K
A
R
Y
S
V
L
E
R
E
D
K
P
T
T
S
K
P
G
A
P
F
I
T
S
T
L
Q
Q
A
A
S
T
R
L
G
F
G
V
K
K
T
M
M
M
A
Q
R
L
Y
E
A
--------
G
Y
I
T
Y
M
R
T
D
S
T
N
L
S
Q
D
A
V
N
M
V
R
G
Y
I
S
D
N
F
G
K
K
Y
L
P
E
S
P
N
Q
Y
A
S
------
E
A
R
E
A
I
R
P
S
D
---------
V
N
--------
V
M
A
E
S
L
K
D
-
M
E
A
D
A
Q
K
L
Y
Q
L
I
W
R
Q
F
V
A
C
Q
M
T
P
A
K
Y
D
S
T
T
L
T
V
G
A
G
-
D
F
--
R
L
K
A
R
G
R
I
L
--
R
F
D
G
W
T
K
V
MPA-----
E
D
-
R
-
I
L
-----
P
A
V
N
K
G
D
A
L
T
L
V
E
L
T
P
A
Q
H
F
T
K
P
P
A
R
F
S
E
A
S
L
V
K
E
L
E
K
R
G
I
G
R
P
S
T
Y
A
S
I
I
S
T
I
Q
D
R
G
Y
V
R
V
E
N
-
R
R
F
Y
A
E
K
M
G
E
I
V
T
D
R
L
E
E
N
F
R
E
L
M
N
Y
D
F
T
A
Q
M
E
N
N
L
D
Q
V
A
N
H
E
A
E
W
K
A
V
L
D
H
F
F
S
D
F
T
Q
Q
L
D
K
A
E
K
D
P
E
E
G
G
M
R
P
N
Q
M
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
80.74
40%
-67
- C4 -
1MW9
9
TOP1_ECOLI
X:
[3-581]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
A
-----------
L
V
I
V
E
S
P
A
K
A
K
T
I
N
K
Y
L
-------------------
G
S
----------
D
----------
Y
V
V
K
---------
S
S
V
G
H
I
R
D
L
PT---------------------
E
R
G
A
L
V
---
N
R
-------------
M
G
V
D
P
-------------------------
W
H
NWEAHYEVLPGK
E
K
V
V
S
E
L
K
Q
L
A
E
K
A
D
H
I
Y
L
A
T
D
L
D
R
E
G
E
A
I
A
W
H
L
R
E
V
I
G
G
D
D
A
R
Y
S
R
V
V
F
N
E
I
T
K
N
A
I
R
Q
A
F
N
K
P
G
E
L
N
I
D
R
V
N
A
Q
Q
A
R
R
F
M
D
R
V
V
G
Y
M
V
S
P
L
L
W
K
K
I
-
A
-
R
G
-
L
S
A
G
R
V
Q
S
V
A
V
R
L
V
V
E
R
E
R
E
I
K
A
-
F
-
V
P
E
E
F
W
E
V
D
A
S
T
T
T
P
S
----
G
E
A
L
A
L
Q
V
T
H
Q
N
D
K
P
F
R
P
V
N
K
E
Q
T
Q
A
A
V
--
S
L
L
E
K
A
R
Y
S
V
L
E
R
E
D
K
P
T
T
S
K
P
G
A
P
F
I
T
S
T
L
Q
Q
A
A
S
T
R
L
G
F
G
V
K
K
T
M
M
M
A
Q
R
L
Y
E
A
--------
G
Y
I
T
Y
M
R
T
D
S
T
N
L
S
Q
D
A
V
N
M
V
R
G
Y
I
S
D
N
F
G
K
K
Y
L
P
E
S
P
N
Q
Y
A
---------
R
E
A
I
R
P
S
D
---------
V
N
--------
V
M
A
E
S
L
K
D
-
M
E
A
D
A
Q
K
L
Y
Q
L
I
W
R
Q
F
V
A
C
Q
M
T
P
A
K
Y
D
S
T
T
L
T
V
G
A
G
-
D
F
--
R
L
K
A
R
G
R
I
L
--
R
F
D
G
W
T
K
V
MPA
L
----
E
D
-
R
-
I
L
-----
P
A
V
N
K
G
D
A
L
T
L
V
E
L
T
P
A
Q
H
F
T
K
P
P
A
R
F
S
E
A
S
L
V
K
E
L
E
K
R
G
I
G
R
P
S
T
Y
A
S
I
I
S
T
I
Q
D
R
G
Y
V
R
V
E
N
-
R
R
F
Y
A
E
K
M
G
E
I
V
T
D
R
L
E
E
N
F
R
E
L
M
N
Y
D
F
T
A
Q
M
E
N
N
L
D
Q
V
A
N
H
E
A
E
W
K
A
V
L
D
H
F
F
S
D
F
T
Q
Q
L
D
K
A
E
K
D
P
E
E
G
G
M
R
P
N
Q
M
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
80.50
40%
-76
- C4 -
3PX7
3
TOP1_ECOLI
A:
[3-581]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
A
-----------
L
V
I
V
E
S
P
A
K
A
K
T
I
N
K
Y
L
-------------------
G
S
----------
D
----------
Y
V
V
K
---------
S
S
V
G
H
I
R
D
L
P---------------------
D
E
R
G
A
L
V
---
N
R
-------------
M
G
V
D
P
-------------------------
W
H
NW
E
A
H
Y
E
V
L
PGK
E
K
V
V
S
E
L
K
Q
L
A
E
K
A
D
H
I
Y
L
A
T
N
L
D
R
E
G
E
A
I
A
W
H
L
R
E
V
I
G
G
D
D
A
R
Y
S
R
V
V
F
N
E
I
T
K
N
A
I
R
Q
A
F
N
K
P
G
E
L
N
I
D
R
V
N
A
Q
Q
A
R
R
F
M
D
R
V
V
G
Y
M
V
S
P
L
L
W
K
K
I
-
A
-
R
G
-
L
S
A
G
R
V
Q
S
V
A
V
R
L
V
V
E
R
E
R
E
I
K
A
-
F
-
V
P
E
E
F
W
E
V
D
A
S
T
T
T
P
S
----
G
E
A
L
A
L
Q
V
T
H
Q
N
D
K
P
F
R
P
V
N
K
E
Q
T
Q
A
A
V
--
S
L
L
E
K
A
R
Y
S
V
L
E
R
E
D
K
P
T
T
S
K
P
G
A
P
F
I
T
S
T
L
Q
Q
A
A
S
T
R
L
G
F
G
V
K
K
T
M
M
M
A
Q
R
L
Y
E
A
--------
G
Y
I
T
Y
M
R
T
D
S
T
N
L
S
Q
D
A
V
N
M
V
R
G
Y
I
S
D
N
F
G
K
K
Y
L
P
E
S
P
N
Q
Y
A
---------
H
E
A
I
R
P
S
D
---------
V
N
--------
V
M
A
E
S
L
K
D
-
M
E
A
D
A
Q
K
L
Y
Q
L
I
W
R
Q
F
V
A
C
Q
M
T
P
A
K
Y
D
S
T
T
L
T
V
G
A
G
-
D
F
--
R
L
K
A
R
G
R
I
L
--
R
F
D
G
W
T
K
V
MPA
L
R
--------
I
L
-----
P
A
V
N
K
G
D
A
L
T
L
V
E
L
T
P
A
Q
H
F
T
K
P
P
A
R
F
S
E
A
S
L
V
K
E
L
E
K
R
G
I
G
R
P
S
T
Y
A
S
I
I
S
T
I
Q
D
R
G
Y
V
R
V
E
N
-
R
R
F
Y
A
E
K
M
G
E
I
V
T
D
R
L
E
E
N
F
R
E
L
M
N
Y
D
F
T
A
Q
M
E
N
S
L
D
Q
V
A
N
H
E
A
E
W
K
A
V
L
D
H
F
F
S
D
F
T
Q
Q
L
D
K
A
E
K
D
P
E
E
G
G
M
R
P
N
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
80.39
40%
-67
- C4 -
1ECL
-
TOP1_ECOLI
A:
[3-581]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
A
-----------
L
V
I
V
E
S
P
A
K
A
K
T
I
N
K
Y
L
-------------------
G
S
----------
D
----------
Y
V
V
K
---------
S
S
V
G
H
I
R
D
L
P---------------------
D
E
R
G
A
L
V
---
N
R
-------------
M
G
V
D
P
-------------------------
W
H
NW
E
A
H
Y
E
V
L
PGK
E
K
V
V
S
E
L
K
Q
L
A
E
K
A
D
H
I
Y
L
A
T
D
L
D
R
E
G
E
A
I
A
W
H
L
R
E
V
I
G
G
D
D
A
R
Y
S
R
V
V
F
N
E
I
T
K
N
A
I
R
Q
A
F
N
K
P
G
E
L
N
I
D
R
V
N
A
Q
Q
A
R
R
F
M
D
R
V
V
G
Y
M
V
S
P
L
L
W
K
K
I
-
A
-
R
G
-
L
S
A
G
R
V
Q
S
V
A
V
R
L
V
V
E
R
E
R
E
I
K
A
-
F
-
V
P
E
E
F
W
E
V
D
A
S
T
T
T
P
S
----
G
E
A
L
A
L
Q
V
T
H
Q
N
D
K
P
F
R
P
V
N
K
E
Q
T
Q
A
A
V
--
S
L
L
E
K
A
R
Y
S
V
L
E
R
E
D
K
P
T
T
S
K
P
G
A
P
F
I
T
S
T
L
Q
Q
A
A
S
T
R
L
G
F
G
V
K
K
T
M
M
M
A
Q
R
L
Y
E
A
--------
G
Y
I
T
Y
M
R
T
D
S
T
N
L
S
Q
D
A
V
N
M
V
R
G
Y
I
S
D
N
F
G
K
K
Y
L
P
E
S
P
N
Q
Y
A
---------
H
E
A
I
R
P
S
D
---------
V
N
--------
V
M
A
E
S
L
K
D
-
M
E
A
D
A
Q
K
L
Y
Q
L
I
W
R
Q
F
V
A
C
Q
M
T
P
A
K
Y
D
S
T
T
L
T
V
G
A
G
-
D
F
--
R
L
K
A
R
G
R
I
L
--
R
F
D
G
W
T
K
V
MPA
L
R
--------
I
L
-----
P
A
V
N
K
G
D
A
L
T
L
V
E
L
T
P
A
Q
H
F
T
K
P
P
A
R
F
S
E
A
S
L
V
K
E
L
E
K
R
G
I
G
R
P
S
T
Y
A
S
I
I
S
T
I
Q
D
R
G
Y
V
R
V
E
N
-
R
R
F
Y
A
E
K
M
G
E
I
V
T
D
R
L
E
E
N
F
R
E
L
M
N
Y
D
F
T
A
Q
M
E
N
S
L
D
Q
V
A
N
H
E
A
E
W
K
A
V
L
D
H
F
F
S
D
F
T
Q
Q
L
D
K
A
E
K
D
P
E
E
G
G
M
R
P
N
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
80.32
40%
-67
- C4 -
1CY8
3
TOP1_ECOLI
A:
[5-583]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
A
-----------
L
V
I
V
E
S
P
A
K
A
K
T
I
N
K
Y
L
-------------------
G
S
----------
D
----------
Y
V
V
K
---------
S
S
V
G
H
I
R
D
L
P---------------------
D
E
R
G
A
L
V
---
N
R
-------------
M
G
V
D
P
-------------------------
W
H
NW
E
A
H
Y
E
V
L
P
GK
E
K
V
V
S
E
L
K
Q
L
A
E
K
A
D
H
I
Y
L
A
T
D
L
D
R
E
G
E
A
I
A
W
H
L
R
E
V
I
G
G
D
D
A
R
Y
S
R
V
V
F
N
E
I
T
K
N
A
I
R
Q
A
F
N
K
P
G
E
L
N
I
D
R
V
N
A
Q
Q
A
R
R
F
M
D
R
V
V
G
Y
M
V
S
P
L
L
W
K
K
I
-
A
-
R
G
-
L
S
A
G
R
V
Q
S
V
A
V
R
L
V
V
E
R
E
R
E
I
K
A
-
F
-
V
P
E
E
F
W
E
V
D
A
S
T
T
T
P
S
----
G
E
A
L
A
L
Q
V
T
H
Q
N
D
K
P
F
R
P
V
N
K
E
Q
T
Q
A
A
V
--
S
L
L
E
K
A
R
Y
S
V
L
E
R
E
D
K
P
T
T
S
K
P
G
A
P
F
I
T
S
T
L
Q
Q
A
A
S
T
R
L
G
F
G
V
K
K
T
M
M
M
A
Q
R
L
Y
E
A
--------
G
Y
I
T
Y
M
R
T
D
S
T
N
L
S
Q
D
A
V
N
M
V
R
G
Y
I
S
D
N
F
G
K
K
Y
L
P
E
S
P
N
Q
Y
A
---------
H
E
A
I
R
P
S
D
---------
V
N
--------
V
M
A
E
S
L
K
D
-
M
E
A
D
A
Q
K
L
Y
Q
L
I
W
R
Q
F
V
A
C
Q
M
T
P
A
K
Y
D
S
T
T
L
T
V
G
A
G
-
D
F
--
R
L
K
A
R
G
R
I
L
--
R
F
D
G
W
T
K
V
MPA
L
R
K
G
D
E
D
-
R
-
I
L
-----
P
A
V
N
K
G
D
A
L
T
L
V
E
L
T
P
A
Q
H
F
T
K
P
P
A
R
F
S
E
A
S
L
V
K
E
L
E
K
R
G
I
G
R
P
S
T
Y
A
S
I
I
S
T
I
Q
D
R
G
Y
V
R
V
E
N
-
R
R
F
Y
A
E
K
M
G
E
I
V
T
D
R
L
E
E
N
F
R
E
L
M
N
Y
D
F
T
A
Q
M
E
N
S
L
D
Q
V
A
N
H
E
A
E
W
K
A
V
L
D
H
F
F
S
D
F
T
Q
Q
L
D
K
A
E
K
D
P
E
E
G
G
M
R
P
N
Q
M
V
L
T
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
80.04
40%
-65
- C4 -
3PWT
3
TOP1_ECOLI
A:
[3-581]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
A
-----------
L
V
I
V
E
S
P
A
K
A
K
T
I
N
K
Y
L
-------------------
G
S
----------
D
----------
Y
V
V
K
---------
S
S
V
G
H
I
R
D
L
PT--------------------
D
E
R
G
A
L
V
---
N
R
-------------
M
G
V
D
P
-------------------------
W
H
NW
E
A
H
Y
E
V
L
P
GK
E
K
V
V
S
E
L
K
Q
L
A
E
K
A
D
H
I
Y
L
A
T
N
L
D
R
E
G
E
A
I
A
W
H
L
R
E
V
I
G
G
D
D
A
R
Y
S
R
V
V
F
N
E
I
T
K
N
A
I
R
Q
A
F
N
K
P
G
E
L
N
I
D
R
V
N
A
Q
Q
A
R
R
F
M
D
R
V
V
G
Y
M
V
S
P
L
L
W
K
K
I
-
A
-
R
G
-
L
S
A
G
R
V
Q
S
V
A
V
R
L
V
V
E
R
E
R
E
I
K
A
-
F
-
V
P
E
E
F
W
E
V
D
A
S
T
T
T
P
S
----
G
E
A
L
A
L
Q
V
T
H
Q
N
D
K
P
F
R
P
V
N
K
E
Q
T
Q
A
A
V
--
S
L
L
E
K
A
R
Y
S
V
L
E
R
E
D
K
P
T
T
S
K
P
G
A
P
F
I
T
S
T
L
Q
Q
A
A
S
T
R
L
G
F
G
V
K
K
T
M
M
M
A
Q
R
L
Y
E
A
--------
G
Y
I
T
Y
M
R
T
D
S
T
N
L
S
Q
D
A
V
N
M
V
R
G
Y
I
S
D
N
F
G
K
K
Y
L
P
E
S
P
N
Q
Y
A
--------
A
H
E
A
I
R
P
S
D
---------
V
N
--------
V
M
A
E
S
L
K
D
-
M
E
A
D
A
Q
K
L
Y
Q
L
I
W
R
Q
F
V
A
C
Q
M
T
P
A
K
Y
D
S
T
T
L
T
V
G
A
G
-
D
F
--
R
L
K
A
R
G
R
I
L
--
R
F
D
G
W
T
K
V
MPA
L
R
---
E
D
-
R
-
I
L
-----
P
A
V
N
K
G
D
A
L
T
L
V
E
L
T
P
A
Q
H
F
T
K
P
P
A
R
F
S
E
A
S
L
V
K
E
L
E
K
R
G
I
G
R
P
S
T
Y
A
S
I
I
S
T
I
Q
D
R
G
Y
V
R
V
E
N
-
R
R
F
Y
A
E
K
M
G
E
I
V
T
D
R
L
E
E
N
F
R
E
L
M
N
Y
D
F
T
A
Q
M
E
N
S
L
D
Q
V
A
N
H
E
A
E
W
K
A
V
L
D
H
F
F
S
D
F
T
Q
Q
L
D
K
A
E
K
D
P
E
E
G
G
M
R
P
N
Q
M
V
L
T
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
79.87
40%
-69
- C4 -
1CY0
1
TOP1_ECOLI
A:
[5-574]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
A
-----------
L
V
I
V
E
S
P
A
K
A
K
T
I
N
K
Y
L
-------------------
G
S
----------
D
----------
Y
V
V
K
---------
S
S
V
G
H
I
R
D
L
P-------------------------
A
L
V
---
N
R
-------------
M
G
V
D
P
-------------------------
W
H
NW
E
A
H
Y
E
V
L
PGK
E
K
V
V
S
E
L
K
Q
L
A
E
K
A
D
H
I
Y
L
A
T
D
L
D
R
E
G
E
A
I
A
W
H
L
R
E
V
I
G
G
D
D
A
R
Y
S
R
V
V
F
N
E
I
T
K
N
A
I
R
Q
A
F
N
K
P
G
E
L
N
I
D
R
V
N
A
Q
Q
A
R
R
F
M
D
R
V
V
G
Y
M
V
S
P
L
L
W
K
K
I
-
A
-
R
G
-
L
S
A
G
R
V
Q
S
V
A
V
R
L
V
V
E
R
E
R
E
I
K
A
-
F
-
V
P
E
E
F
W
E
V
D
A
S
T
T
T
P
S
----
G
E
A
L
A
L
Q
V
T
H
Q
N
D
K
P
F
R
P
V
N
K
E
Q
T
Q
A
A
V
--
S
L
L
E
K
A
R
Y
S
V
L
E
R
E
D
K
P
T
T
S
K
P
G
A
P
F
I
T
S
T
L
Q
Q
A
A
S
T
R
L
G
F
G
V
K
K
T
M
M
M
A
Q
R
L
Y
E
A
--------
G
Y
I
T
Y
M
R
T
D
S
T
N
L
S
Q
D
A
V
N
M
V
R
G
Y
I
S
D
N
F
G
K
K
Y
L
P
E
S
P
N
Q
Y
A
S
K
-
E
N
S
Q
E
A
H
E
A
I
R
P
S
D
---------
V
N
--------
V
M
A
E
S
L
K
D
-
M
E
A
D
A
Q
K
L
Y
Q
L
I
W
R
Q
F
V
A
C
Q
M
T
P
A
K
Y
D
S
T
T
L
T
V
G
A
G
-
D
F
--
R
L
K
A
R
G
R
I
L
--
R
F
D
G
W
T
K
V
M------------
I
L
-----
P
A
V
N
K
G
D
A
L
T
L
V
E
L
T
P
A
Q
H
F
T
K
P
P
A
R
F
S
E
A
S
L
V
K
E
L
E
K
R
G
I
G
R
P
S
T
Y
A
S
I
I
S
T
I
Q
D
R
G
Y
V
R
V
E
N
-
R
R
F
Y
A
E
K
M
G
E
I
V
T
D
R
L
E
E
N
F
R
E
L
M
N
Y
D
F
T
A
Q
M
E
N
S
L
D
Q
V
A
N
H
E
A
E
W
K
A
V
L
D
H
F
F
S
D
F
T
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
79.62
40%
-70
- C4 -
1CY6
4
TOP1_ECOLI
A:
[5-583]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
A
-----------
L
V
I
V
E
S
P
A
K
A
K
T
I
N
K
Y
L
-------------------
G
S
----------
D
----------
Y
V
V
K
---------
S
S
V
G
H
I
R
D
L
PT--------------------
D
E
R
G
A
L
V
---
N
R
-------------
M
G
V
D
P
-------------------------
W
H
NW
E
A
H
Y
E
VLPGK
E
K
V
V
S
E
L
K
Q
L
A
E
K
A
D
H
I
Y
L
A
T
D
L
D
R
E
G
E
A
I
A
W
H
L
R
E
V
I
G
G
D
D
A
R
Y
S
R
V
V
F
N
E
I
T
K
N
A
I
R
Q
A
F
N
K
P
G
E
L
N
I
D
R
V
N
A
Q
Q
A
R
R
F
M
D
R
V
V
G
Y
M
V
S
P
L
L
W
K
K
I
-
A
-
R
G
-
L
S
A
G
R
V
Q
S
V
A
V
R
L
V
V
E
R
E
R
E
I
K
A
-
F
-
V
P
E
E
F
W
E
V
D
A
S
T
T
T
P
S
----
G
E
A
L
A
L
Q
V
T
H
Q
N
D
K
P
F
R
P
V
N
K
E
Q
T
Q
A
A
V
--
S
L
L
E
K
A
R
Y
S
V
L
E
R
E
D
K
P
T
T
S
K
P
G
A
P
F
I
T
S
T
L
Q
Q
A
A
S
T
R
L
G
F
G
V
K
K
T
M
M
M
A
Q
R
L
Y
E
A
--------
G
Y
I
T
Y
M
R
T
D
S
T
N
L
S
Q
D
A
V
N
M
V
R
G
Y
I
S
D
N
F
G
K
K
Y
L
P
E
S
P
N
Q
Y
A
--------
A
H
E
A
I
R
P
S
D
---------
V
N
--------
V
M
A
E
S
L
K
D
-
M
E
A
D
A
Q
K
L
Y
Q
L
I
W
R
Q
F
V
A
C
Q
M
T
P
A
K
Y
D
S
T
T
L
T
V
G
A
G
-
D
F
--
R
L
K
A
R
G
R
I
L
--
R
F
D
G
W
T
K
V
MPA
L
R
---
E
D
-
R
-
I
L
-----
P
A
V
N
K
G
D
A
L
T
L
V
E
L
T
P
A
Q
H
F
T
K
P
P
A
R
F
S
E
A
S
L
V
K
E
L
E
K
R
G
I
G
R
P
S
T
Y
A
S
I
I
S
T
I
Q
D
R
G
Y
V
R
V
E
N
-
R
R
F
Y
A
E
K
M
G
E
I
V
T
D
R
L
E
E
N
F
R
E
L
M
N
Y
D
F
T
A
Q
M
E
N
S
L
D
Q
V
A
N
H
E
A
E
W
K
A
V
L
D
H
F
F
S
D
F
T
Q
Q
L
D
K
A
E
K
D
P
E
E
G
G
M
R
P
N
Q
M
V
L
T
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
79.58
40%
-73
- C4 -
1CY4
4
TOP1_ECOLI
A:
[5-583]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
A
-----------
L
V
I
V
E
S
P
A
K
A
K
T
I
N
K
Y
L
-------------------
G
S
----------
D
----------
Y
V
V
K
---------
S
S
V
G
H
I
R
D
L
P
T--------------------
D
E
R
G
A
L
V
---
N
R
-------------
M
G
V
D
P
-------------------------
W
H
NW
E
A
H
Y
E
V
L
P
GK
E
K
V
V
S
E
L
K
Q
L
A
E
K
A
D
H
I
Y
L
A
T
D
L
D
R
E
G
E
A
I
A
W
H
L
R
E
V
I
G
G
D
D
A
R
Y
S
R
V
V
F
N
E
I
T
K
N
A
I
R
Q
A
F
N
K
P
G
E
L
N
I
D
R
V
N
A
Q
Q
A
R
R
F
M
D
R
V
V
G
Y
M
V
S
P
L
L
W
K
K
I
-
A
-
R
G
-
L
S
A
G
R
V
Q
S
V
A
V
R
L
V
V
E
R
E
R
E
I
K
A
-
F
-
V
P
E
E
F
W
E
V
D
A
S
T
T
T
P
S
----
G
E
A
L
A
L
Q
V
T
H
Q
N
D
K
P
F
R
P
V
N
K
E
Q
T
Q
A
A
V
--
S
L
L
E
K
A
R
Y
S
V
L
E
R
E
D
K
P
T
T
S
K
P
G
A
P
F
I
T
S
T
L
Q
Q
A
A
S
T
R
L
G
F
G
V
K
K
T
M
M
M
A
Q
R
L
Y
E
A
--------
G
Y
I
T
Y
M
R
T
D
S
T
N
L
S
Q
D
A
V
N
M
V
R
G
Y
I
S
D
N
F
G
K
K
Y
L
P
E
S
P
N
Q
Y
A
---------
H
E
A
I
R
P
S
D
---------
V
N
--------
V
M
A
E
S
L
K
D
-
M
E
A
D
A
Q
K
L
Y
Q
L
I
W
R
Q
F
V
A
C
Q
M
T
P
A
K
Y
D
S
T
T
L
T
V
G
A
G
-
D
F
--
R
L
K
A
R
G
R
I
L
--
R
F
D
G
W
T
K
V
MPA
L
---------
I
L
-----
P
A
V
N
K
G
D
A
L
T
L
V
E
L
T
P
A
Q
H
F
T
K
P
P
A
R
F
S
E
A
S
L
V
K
E
L
E
K
R
G
I
G
R
P
S
T
Y
A
S
I
I
S
T
I
Q
D
R
G
Y
V
R
V
E
N
-
R
R
F
Y
A
E
K
M
G
E
I
V
T
D
R
L
E
E
N
F
R
E
L
M
N
Y
D
F
T
A
Q
M
E
N
S
L
D
Q
V
A
N
H
E
A
E
W
K
A
V
L
D
H
F
F
S
D
F
T
Q
Q
L
D
K
A
E
K
D
P
E
E
G
G
M
R
P
N
Q
M
V
L
T
S
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
79.40
40%
-68
- C4 -
1CY2
3
TOP1_ECOLI
A:
[5-583]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
A
-----------
L
V
I
V
E
S
P
A
K
A
K
T
I
N
K
Y
L
-------------------
G
S
----------
D
----------
Y
V
V
K
---------
S
S
V
G
H
I
R
D
L
P---------------------
D
E
R
G
A
L
V
---
N
R
-------------
M
G
V
D
P
-------------------------
W
H
NWE
A
H
Y
E
V
L
P
GK
E
K
V
V
S
E
L
K
Q
L
A
E
K
A
D
H
I
Y
L
A
T
D
L
D
R
E
G
E
A
I
A
W
H
L
R
E
V
I
G
G
D
D
A
R
Y
S
R
V
V
F
N
E
I
T
K
N
A
I
R
Q
A
F
N
K
P
G
E
L
N
I
D
R
V
N
A
Q
Q
A
R
R
F
M
D
R
V
V
G
Y
M
V
S
P
L
L
W
K
K
I
-
A
-
R
G
-
L
S
A
G
R
V
Q
S
V
A
V
R
L
V
V
E
R
E
R
E
I
K
A
-
F
-
V
P
E
E
F
W
E
V
D
A
S
T
T
T
P
S
----
G
E
A
L
A
L
Q
V
T
H
Q
N
D
K
P
F
R
P
V
N
K
E
Q
T
Q
A
A
V
--
S
L
L
E
K
A
R
Y
S
V
L
E
R
E
D
K
P
T
T
S
K
P
G
A
P
F
I
T
S
T
L
Q
Q
A
A
S
T
R
L
G
F
G
V
K
K
T
M
M
M
A
Q
R
L
Y
E
A
--------
G
Y
I
T
Y
M
R
T
D
S
T
N
L
S
Q
D
A
V
N
M
V
R
G
Y
I
S
D
N
F
G
K
K
Y
L
P
E
S
P
N
Q
Y
A
--------
A
H
E
A
I
R
P
S
D
---------
V
N
--------
V
M
A
E
S
L
K
D
-
M
E
A
D
A
Q
K
L
Y
Q
L
I
W
R
Q
F
V
A
C
Q
M
T
P
A
K
Y
D
S
T
T
L
T
V
G
A
G
-
D
F
--
R
L
K
A
R
G
R
I
L
--
R
F
D
G
W
T
K
V
MPA
L
R
--------
I
L
-----
P
A
V
N
K
G
D
A
L
T
L
V
E
L
T
P
A
Q
H
F
T
K
P
P
A
R
F
S
E
A
S
L
V
K
E
L
E
K
R
G
I
G
R
P
S
T
Y
A
S
I
I
S
T
I
Q
D
R
G
Y
V
R
V
E
N
-
R
R
F
Y
A
E
K
M
G
E
I
V
T
D
R
L
E
E
N
F
R
E
L
M
N
Y
D
F
T
A
Q
M
E
N
S
L
D
Q
V
A
N
H
E
A
E
W
K
A
V
L
D
H
F
F
S
D
F
T
Q
Q
L
D
K
A
E
K
D
P
E
E
G
G
M
R
P
N
Q
M
V
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
79.39
40%
-69
- C4 -
1CY1
4
TOP1_ECOLI
A:
[5-583]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
A
-----------
L
V
I
V
E
S
P
A
K
A
K
T
I
N
K
Y
L
-------------------
G
S
----------
D
----------
Y
V
V
K
---------
S
S
V
G
H
I
R
D
L
P-----------------------
R
G
A
L
V
---
N
R
-------------
M
G
V
D
P
-------------------------
W
H
NW
E
A
H
Y
E
V
L
P
GK
E
K
V
V
S
E
L
K
Q
L
A
E
K
A
D
H
I
Y
L
A
T
D
L
D
R
E
G
E
A
I
A
W
H
L
R
E
V
I
G
G
D
D
A
R
Y
S
R
V
V
F
N
E
I
T
K
N
A
I
R
Q
A
F
N
K
P
G
E
L
N
I
D
R
V
N
A
Q
Q
A
R
R
F
M
D
R
V
V
G
Y
M
V
S
P
L
L
W
K
K
I
-
A
-
R
G
-
L
S
A
G
R
V
Q
S
V
A
V
R
L
V
V
E
R
E
R
E
I
K
A
-
F
-
V
P
E
E
F
W
E
V
D
A
S
T
T
T
P
S
----
G
E
A
L
A
L
Q
V
T
H
Q
N
D
K
P
F
R
P
V
N
K
E
Q
T
Q
A
A
V
--
S
L
L
E
K
A
R
Y
S
V
L
E
R
E
D
K
P
T
T
S
K
P
G
A
P
F
I
T
S
T
L
Q
Q
A
A
S
T
R
L
G
F
G
V
K
K
T
M
M
M
A
Q
R
L
Y
E
A
--------
G
Y
I
T
Y
M
R
T
D
S
T
N
L
S
Q
D
A
V
N
M
V
R
G
Y
I
S
D
N
F
G
K
K
Y
L
P
E
S
P
N
Q
Y
A
-------
E
A
H
E
A
I
R
P
S
D
---------
V
N
--------
V
M
A
E
S
L
K
D
-
M
E
A
D
A
Q
K
L
Y
Q
L
I
W
R
Q
F
V
A
C
Q
M
T
P
A
K
Y
D
S
T
T
L
T
V
G
A
G
-
D
F
--
R
L
K
A
R
G
R
I
L
--
R
F
D
G
W
T
K
V
MPA
L
---------
I
L
-----
P
A
V
N
K
G
D
A
L
T
L
V
E
L
T
P
A
Q
H
F
T
K
P
P
A
R
F
S
E
A
S
L
V
K
E
L
E
K
R
G
I
G
R
P
S
T
Y
A
S
I
I
S
T
I
Q
D
R
G
Y
V
R
V
E
N
-
R
R
F
Y
A
E
K
M
G
E
I
V
T
D
R
L
E
E
N
F
R
E
L
M
N
Y
D
F
T
A
Q
M
E
N
S
L
D
Q
V
A
N
H
E
A
E
W
K
A
V
L
D
H
F
F
S
D
F
T
Q
Q
L
D
K
A
E
K
D
P
E
E
G
G
M
R
P
N
Q
M
V
L
T
S
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
50
Fugue
73.66
28%
-49
- C4 -
1GKU
-
RGYR_ARCFU
B:
[1-1054]
-------------------------------------------AAAAAAAAAAAAAAAAAAASLCLFPEDFLLKEFVEFFRKCVGEPRAIQKMWAKRILRKESFAATAPTGVGKTSFGLAMSLFLALKGKRCYVIFPTSLLVIQAAETIRKYAEKAGVGTENLIGYYHGRIPKREKENFMQNLRNFKIVITTTQFLSKHYRELGHFDFIFVDDVDAILKASKNVDKLLHLLGFHYDLKTKSWVGEARGCLMVSTATAKKGKKAELFRQLLNFDIGSSRITVRNVEDVAVNDESISTLSSILEKLGTGGIIYARTGEEAEEIYESLKNKFRIGIVTATKKGDYEKFVEGEIDHLIGTAHRGLDLPERIRFAVFVGCPSFRVTIEDIDSLSPQMVKLLAYLYRNVDEIERLLPAVERHIDEVREILKKVMGKERPQAKDVVVREGEVIFPDLRTYIQGSGRTSRLFAGGLTKGASFLLEDDSELLSAFIERAKLYDIEFKSIDEVDFEKLSRELDESRDRYRRRQEFDLI
K
P
A
-----------
L
F
I
V
E
S
P
T
K
A
R
Q
I
S
R
F
F
GKPSVKVLDGAVVYEIPMQ
K
Y
----------
V
----------
L
M
V
T
---------
A
S
I
G
H
V
V
D
L
IT--
N
R
G
F
--
H
-
G
-----
V
L
-
V
N
G
R
F
V
P
V
---
Y
A
-------------
S
-
I
K
D
-------------------------
N
S
------------
R
S
R
I
E
A
L
R
K
L
A
H
D
A
E
F
V
I
V
G
T
D
P
D
T
E
G
E
K
I
A
W
D
L
K
N
L
L
S
G
C
-
G
A
V
K
R
A
E
F
H
E
V
T
R
R
A
I
L
E
A
L
E
S
L
R
D
V
D
E
N
L
V
K
A
Q
V
V
R
R
I
E
D
R
W
I
G
F
V
L
S
Q
K
L
W
E
R
F
-
N
N
R
N
-
L
S
A
G
R
A
Q
T
L
V
L
G
W
I
I
D
R
F
Q
E
S
R
E
-
R
-
R
K
I
A
I
V
----------------------------------
R
D
F
D
L
V
L
E
--
H
D
E
E
E
F
D
L
T
I
K
L
V
E
E
R
E
E
L
R
T
P
L
P
P
Y
T
T
E
T
M
L
S
D
A
N
R
I
L
K
F
S
V
K
Q
T
M
Q
I
A
Q
E
L
F
E
N
--------
G
L
I
T
Y
H
R
T
D
S
T
R
V
S
D
V
G
Q
R
I
A
K
E
Y
L
G
D
D
F
------------
V
G
R
E
W
G
E
S
G
A
H
E
C
I
R
P
T
R
PLTRDDVQR
L
I
--------
Q
E
G
V
L
V
V
E
G
L
R
W
E
H
F
A
L
Y
D
L
I
F
R
R
F
M
A
S
Q
C
R
P
F
K
V
V
V
K
K
Y
S
I
E
F
D
-
G
K
--
T
A
E
E
E
R
I
V
R
--
A
E
G
R
A
Y
E
L
---
Y
R
A
V
W
V
K
-
N
-
E
L
-----
P
T
-------
G
T
F
R
V
K
A
E
V
K
S
V
P
K
V
L
P
F
T
Q
S
E
I
I
Q
M
M
K
E
R
G
I
G
R
P
S
T
Y
A
T
I
V
D
R
L
F
M
R
N
Y
V
V
E
K
Y
-
G
R
M
I
P
T
K
L
G
I
D
V
F
R
F
L
V
R
R
Y
A
K
F
V
S
E
D
R
T
R
D
L
E
S
R
M
D
A
I
E
R
G
E
L
D
Y
L
K
A
L
E
D
M
Y
A
E
I
K
S
I
D
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
68.87
28%
-53
- C4 -
4DDT
1
RGYR_THEMA
A:
[544-1103]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
I
I
V
E
S
P
T
K
A
E
T
L
S
R
F
L
-------------------
G
R
----------
A
S
S
R
KERN
I
I
V
H
E
A
V
T
GE
G
V
I
L
F
T
A
T
R
G
H
V
Y
D
L
V---
T
K
G
G
--
I
H
G
-----
V
E
-
E
E
N
G
K
F
V
P
---
V
Y
N
S
L
K
R
C
RDCG
Y
Q
F
T
-
E
D
R
-------------------------
D
E
CPVCSSKNIDD
K
T
E
T
L
R
A
L
R
E
I
S
L
E
A
D
E
I
L
V
A
T
D
P
D
V
E
G
E
K
I
S
W
D
V
T
Q
Y
L
L
P
S
T
R
S
L
R
R
I
E
M
H
E
I
T
R
Y
G
F
K
K
A
R
E
S
V
R
F
V
D
F
N
L
V
K
A
Q
I
V
R
R
V
Q
D
R
W
I
G
F
E
L
S
G
K
L
Q
K
R
F
-
G
-
R
S
N
L
S
A
G
R
V
Q
S
T
V
L
G
W
I
V
E
R
E
E
E
Y
K
K
-
S
E
K
D
F
T
L
L
V
L
E
N
-
G
V
N
L
E
----
V
E
G
K
I
A
D
D
V
V
T
V
V
E
L
Q
E
------
A
E
E
E
K
--
N
P
L
--------------------
P
P
Y
T
T
S
S
A
L
S
E
I
S
Q
K
L
R
L
G
V
Q
E
V
M
D
I
L
Q
D
L
F
E
K
--------
G
F
I
T
Y
H
R
T
D
S
T
R
I
S
L
E
G
Q
N
V
A
R
T
-
Y
L
R
K
I
G
K
E
------
D
I
F
M
G
R
S
W
S
T
E
G
A
H
E
A
I
R
P
V
K
---------
P
I
D
A
R
E
L
E
E
M
I
E
E
G
L
I
A
D
-
L
T
K
K
H
L
R
V
Y
E
L
I
F
N
R
F
L
A
S
Q
S
A
A
V
K
V
K
K
Q
I
V
T
V
D
V
D
----------
G
K
R
M
--
G
I
E
Q
I
V
E
I
---
L
-
R
D
G
W
N
-
L
-
F
V
P
L
T
V
S
P
R
F
E
H
R
T
Y
K
I
K
E
K
K
F
Y
K
K
H
-
T
V
P
L
--
F
T
Q
A
S
I
V
E
E
M
K
K
R
G
I
G
R
P
S
T
Y
A
K
I
V
E
V
L
F
R
R
G
Y
V
Y
E
D
K
Y
K
R
V
R
P
T
R
F
G
V
M
V
Y
S
Y
L
K
E
R
Y
E
K
Y
V
T
E
E
T
T
R
R
L
E
E
I
M
D
K
V
E
R
G
E
E
D
Y
Q
A
T
L
R
L
L
Y
E
E
I
K
S
L
M
E
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
68.66
28%
-54
- C4 -
4DDW
1
RGYR_THEMA
A:
[544-1103]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
I
I
V
E
S
P
T
K
A
E
T
L
S
R
F
L
-------------------
G
R
----------
A
S
S
R
K
E
RN
I
I
V
H
E
A
V
T
GE
G
V
I
L
F
T
A
T
R
G
H
V
Y
D
L
V
---
T
K
G
G
--
I
H
G
-----
V
E
-
E
E
N
G
K
F
V
P
---
V
Y
N
S
L
K
R
C
RDCGYQF
T
-
E
D
R
-------------------------
D
E
CPVCSSKNIDD
K
T
E
T
L
R
A
L
R
E
I
S
L
E
A
D
E
I
L
V
A
T
D
P
D
V
E
G
E
K
I
S
W
D
V
T
Q
Y
L
L
P
S
T
R
S
L
R
R
I
E
M
H
E
I
T
R
Y
G
F
K
K
A
R
E
S
V
R
F
V
D
F
N
L
V
K
A
Q
I
V
R
R
V
Q
D
R
W
I
G
F
E
L
S
G
K
L
Q
K
R
F
-
G
-
R
S
N
L
S
A
G
R
V
Q
S
T
V
L
G
W
I
V
E
R
E
E
E
Y
K
K
-
S
E
K
D
F
T
L
L
V
L
E
N
-
G
V
N
L
E
----
V
E
G
K
I
A
D
D
V
V
T
V
V
E
L
Q
E
------
A
E
E
E
K
--
N
P
L
--------------------
P
P
Y
T
T
S
S
A
L
S
E
I
S
Q
K
L
R
L
G
V
Q
E
V
M
D
I
L
Q
D
L
F
E
K
--------
G
F
I
T
Y
H
R
T
D
S
T
R
I
S
L
E
G
Q
N
V
A
R
T
-
Y
L
R
K
I
G
K
E
------
D
I
F
M
G
R
S
W
S
T
E
G
A
H
E
A
I
R
P
V
K
---------
P
I
D
A
R
E
L
E
E
M
I
E
E
G
L
I
A
D
-
L
T
K
K
H
L
R
V
Y
E
L
I
F
N
R
F
L
A
S
Q
S
A
A
V
K
V
K
K
Q
I
V
T
V
D
V
D
----------
G
K
R
M
--
G
I
E
Q
I
V
E
I
---
L
-
R
D
G
W
N
-
L
-
F
V
P
L
T
V
S
P
R
F
E
H
R
T
Y
K
I
K
E
K
K
F
Y
K
K
H
-
T
V
P
L
--
F
T
Q
A
S
I
V
E
E
M
K
K
R
G
I
G
R
P
S
T
Y
A
K
I
V
E
V
L
F
R
R
G
Y
V
Y
E
D
K
Y
K
R
V
R
P
T
R
F
G
V
M
V
Y
S
Y
L
K
E
R
Y
E
K
Y
V
T
E
E
T
T
R
R
L
E
E
I
M
D
K
V
E
R
G
E
E
D
Y
Q
A
T
L
R
L
L
Y
E
E
I
K
S
L
M
E
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------