@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 : Wbm0037: (2015-11-27 )
MALLIVESPAKARTISKYLSKEFKVAASFGHVRDLPVKNGSVDPDNDFAIKYEIIEKAEKYVKELVKEASQTSDIYLATDPDREGEAIAWNVIEALKERKAINDKSNIYRVVFNEITKRAVQEAVKNPREINMDLVRAQQARRALDYLVGFSLSPLLWTKLSGSKSAGRVQSVALKLICEREDEISKFVSQEYWSIRAEIKDSKGETFFAMLSHYDNKKLEKFDIKNEEEAKGLVKQIESRQYAVSTVERKQVKRNPLPPFITSSLQQDAVNKLYFNVKNVMRIAQDLYEGIDIGGETVGLITYMRTDGFYIADEAVNSIRRSIKSLYGNKYLPKSSRQYVKKVKNAQEAHEAIRPTDIDRTPDSIKDYLTPEQFKLYGLIWKRTIASQMESAILDQVVVEISSTDQKVILRASGSIIFFDGFYKVYKNNVDGEDESMIPTMKEGEECKLISVDPEQHFTQPPSRYSEASIVKKMEEIGIGRPSTYAAIISVLQDREYVTLDNKRFIPSSRGKIVTIFLETFFQRCVEYDFTAQMEEKLDLISNGRADWKKELGYFWVPFFNHVNSVKQMTHDEIFNGIRDLVVDWFCSEEGKKEVNKKCPDCPDGILKLNFGKAGVFLGCSNYPTCTHTKEITGSNDNSEYPKSLGIDGVTEQEVVIKKGPFGLYLEFNSESEKKKTVSIPKDINVNDIDLSTATRLLSLPKVIGEHPETGKEVKIGLGRFGYYIFYDSKYFSLKKSFKEVLEIQLDEAVQIIANSPRKELKSLGFNEKGKEVFICNGRYGFYIKCGKTNVALGKNADIESVDLRRALELIKSKK
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.......740.......750.......760.......770.......780.......790.......800.......810....-
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
A
L
L
I
VESPAK
A
R
T
I
S
K
Y
L
-------------------
S
-------------------------
K
E
-------------------
F
K
V
A
ASF--GH--
V
R
DLP---------VKN---G---------------S-----------VD-PDN-D
F
---
A
I
K
Y
E
I
I
--
E
K
A
E
K
Y
V
K
E
L
V
K
E
ASQTS
D
I
Y
L
ATDPDREGE
A
I
A
W
N
V
I
E
A
L
K
E
R
KAINDKS
N
I
Y
R
V
V
F
N
E
I
T
K
R
A
V
Q
E
A
VKNP
R
E
I
N
M
D
L
V
R
A
Q
Q
A
R
R
A
L
D
Y
L
VGFSLS
P
L
L
W
T
KLSG---------SK-SA
G
R
V
Q
S
V
A
L
K
L
I
CER
E
D
E
I
S
K
F
V
S
Q
E
Y
W
S
I
R
A
E
I
KDSKG
E
T
F
F
A
M
L
S
HYDNKK
L
E
KFDIK
N
E
E
E
A
K
G
L
V
K
Q
I
E
S
R
Q
Y
A
V
S
T
V
E
R
K
Q
V---KRNPLP
P
F
I
-
T
S
S
L
Q
Q
D
A
V
N
K
L
Y
F
N
V
K
N
V
M
R
I
A
Q
D
L
Y
E
G
IDIGG
E
T
V
G
L
I
T
Y
M
RTD
G
F
Y
I
A
D
E
A
V
N
S
I
R
R
S
I
K
S
L
YGNKYLPK
S
S
R
Q
Y
V
K
K
-------
V
K
N
A
Q
E
A
H
EAIRPT------D---------IDR
T
P
D
S
---
I
K
D
YL
T
P
E
Q
F
K
L
Y
G
L
I
W
K
R
T
I
A
S
Q
M
E
--
S
A
I
L
D
Q
V
V
V
EIS--STD
Q
K
V
I
L
R
AS
G
S
I
I
--
F
FD
G
F
Y
K
V
Y
KNNVDGEDESMIPTMKEGEE
C
K
L
I
S
VD
P
E
Q
HFTQPPSRY
S
E
A
S
I
V
K
K
M
E
E
IGIGR
P
S
T
Y
A
A
I
I
S
V
LQDR
E
Y
V
T
LD-N
K
R
FIPSSRG
K
I
V
T
I
F
L
E
T
F
F
Q
R
C
VEYD
F
T
A
Q
M
E
E
K
L
D
L
I
SNGR
A
D
W
K
K
E
L
G
Y
F
W
V
P
F
F
N
H
V
N
S
V
K
Q
M
T
H
D
E
I
F
N
G
I
R
D
L
V
V
D
W
FCSEE
G
K
K
E
V
N
KKCPDCPD
G
I
L
K
L
NFGK
A
G
V
F
L
GCSNYPTCT
H
T
K
EITGSNDNSEY
P
K
SLGIDGVTEQ
E
V
V
I
KKG
P
F
G
-
L
Y
L
E
FNSESEKKKTVSIPKDINVNDI
D
L
S
T
A
T
R
L
L
S
L
P
K
V
IGEHPETGK
E
V
K
I
GL
G
R
F
G
Y
Y
I
F
YDS
K
Y
F
S
L
K
K
S
F
K
E
V
L
E
I
Q
L
D
E
A
V
Q
I
I
ANS
P
R
K
E
L
K
SLGFNEKG
K
E
V
F
I
CNG
R
Y
G
F
Y
I
K
CGKT
N
V
ALGKNADI
E
S
V
D
L
R
R
A
L
E
L
I
KSKK-
11
PsiBlast_PDB
89.32
42%
-90
- C3 -
3PX7
3
TOP1_ECOLI
A:
[4-580]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
--------------------------------DER
G
A
L
V
N
R
M
G
V
D
-
P
W
H
-
N
W
---
E
A
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
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
M
P
A
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
89.30
42%
-81
- C3 -
1CY1
4
TOP1_ECOLI
A:
[6-582]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
-
N
W
---
E
A
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
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
M
P
A
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
89.26
42%
-85
- C3 -
1CY4
4
TOP1_ECOLI
A:
[6-582]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
----------------------DER
G
A
L
V
N
R
M
G
V
D
-
P
W
H
-
N
W
---
E
A
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
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
M
P
A
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
HHSearch
88.96
45%
-80
- C3 -
1MW9
9
TOP1_ECOLI
X:
[3-580]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
HNW
E
A
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
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
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
88.52
42%
-81
- C3 -
1CY2
3
TOP1_ECOLI
A:
[6-582]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
--------------------------------DER
G
A
L
V
N
R
M
G
V
D
-
P
W
H
-
N
W
---
E
A
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
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
M
P
A
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
88.46
42%
-81
- C3 -
1ECL
-
TOP1_ECOLI
A:
[4-580]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
--------------------------------DER
G
A
L
V
N
R
M
G
V
D
-
P
W
H
-
N
W
---
E
A
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
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
M
P
A
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
88.39
42%
-78
- C3 -
1MW9
9
TOP1_ECOLI
X:
[4-580]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
TERGAL---
V
N
R
---
M
---------------
G
-----------
V
D
-
P
W
H
-
N
W
---
E
A
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
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
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
88.18
42%
-81
- C3 -
1CY8
3
TOP1_ECOLI
A:
[6-582]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
--------------------------------DER
G
A
L
V
N
R
M
G
V
D
-
P
W
H
-
N
W
---
E
A
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
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
M
P
A
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
87.74
38%
-78
- C3 -
2GAJ
-
TOP1_THEMA
A:
[9-586]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
87.74
42%
-79
- C3 -
1MW8
7
TOP1_ECOLI
X:
[4-580]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
TSGDERGAL
V
N
R
---
M
---------------
G
-----------
V
D
-
P
W
H
-
N
W
---
E
A
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
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
M
P
A
-----
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
87.66
38%
-78
- C3 -
2GAI
-
TOP1_THEMA
A:
[9-586]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
87.60
42%
-84
- C3 -
1CY6
4
TOP1_ECOLI
A:
[6-582]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
----------------------DER
G
A
L
V
N
R
M
G
V
D
-
P
W
H
-
N
W
---
E
A
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
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
M
P
A
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
87.58
42%
-80
- C3 -
3PWT
3
TOP1_ECOLI
A:
[4-580]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
----------------------DER
G
A
L
V
N
R
M
G
V
D
-
P
W
H
-
N
W
---
E
A
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
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
M
P
A
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
87.37
42%
-81
- C3 -
1CY0
1
TOP1_ECOLI
A:
[6-574]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
-
N
W
---
E
A
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
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
HHSearch
87.16
38%
-74
- C3 -
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
------------------------------------------------------------------------------------------------------------------------------------------------------
44
Fugue
85.53
38%
-60
- C3 -
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------
49
Fugue
82.02
31%
-52
- C3 -
1GKU
-
RGYR_ARCFU
B:
[1-1054]
AAAAAAAAAAAAAAAAAAASLCLFPEDFLLKEFVEFFRKCVGEPRAIQKMWAKRILRKESFAATAPTGVGKTSFGLAMSLFLALKGKRCYVIFPTSLLVIQAAETIRKYAEKAGVGTENLIGYYHGRIPKREKENFMQNLRNFKIVITTTQFLSKHYRELGHFDFIFVDDVDAILKASKNVDKLLHLLGFHYDLKTKSWVGEARGCLMVSTATAKKGKKAELFRQLLNFDIGSSRITVRNVEDVAVNDESISTLSSILEKLGTGGIIYARTGEEAEEIYESLKNKFRIGIVTATKKGDYEKFVEGEIDHLIGTAHRGLDLPERIRFAVFVGCPSFRVTIEDIDSLSPQMVKLLAYLYRNVDEIERLLPAVERHIDEVREILKKVMGKERPQAKDVVVREGEVIFPDLRTYIQGSGRTSRLFAGGLTKGASFLLEDDSELLSAFIERAKLYDIEFKSIDEVDFEKLSRELDESRDRYRRRQEFDLIK
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
I
---------
T
N
R
---
G
---------------
F
HG---------
V
L
-
V
N
G
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R
F
---
V
P
V
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N
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I
A
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L
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N
L
L
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G
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G
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A
V
K
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A
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---------
R
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L
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R
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K
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I
V
R
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D
L
V
L
E
---------------------------------
H
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E
E
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L
T
I
K
L
V
E
E
R
E
E
---
L
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T
P
L
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P
Y
T
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T
E
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D
A
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L
K
F
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Q
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M
Q
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Q
E
L
F
E
N
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L
I
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R
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D
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D
V
G
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A
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Y
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F
V
G
R
E
-------------------
W
G
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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
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H
F
A
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Y
D
L
I
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R
R
F
M
A
S
Q
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R
--
P
F
K
V
V
V
K
K
Y
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E
--
F
D
G
K
T
A
E
E
E
R
--
I
V
R
--
A
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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
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V
K
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V
L
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K
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N
Y
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S
I
D
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
75.03
30%
-60
- C3 -
1GKU
-
RGYR_ARCFU
B:
[507-1043]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
L
F
I
V
E
S
P
T
K
A
R
Q
I
S
R
F
F
-------------------
G
-------------------------
K
P
SVKVLDGAVVYEIPMQKYV
L
M
V
T
A
S
I
--
G
H
--
V
V
D
L
I
---------
T
N
R
---
G
FHGVLVNGRFVPVYA
S
-----------
I
K
-------------------
D
N
S
R
S
R
I
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A
L
R
K
L
A
H
D
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G
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D
T
E
G
E
K
I
A
W
D
L
K
N
L
L
S
G
C
G
A
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K
------
R
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L
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K
L
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F
N
N
---------
R
N
L
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A
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A
Q
T
L
V
L
G
W
I
I
D
R
F
Q
E
-----
S
R
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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
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T
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Q
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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
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Y
L
G
D
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F
V
---
G
R
E
W
------------
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S
G
A
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I
R
P
T
RPLTRD
D
---------
V
Q
R
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Q
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V
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L
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W
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F
A
L
Y
D
L
I
F
R
R
F
M
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Q
C
R
PF
K
V
V
V
K
K
Y
S
I
E
F
D
GK
T
A
E
E
E
R
I
V
R
A
E
G
R
A
--------
Y
E
L
Y
R
A
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V
W
V
K
N
E
L
P
T
G
T
F
R
V
K
A
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K
--
S
V
P
K
V
L
P
F
T
Q
-------
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I
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K
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P
S
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Y
A
T
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N
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Y
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Y
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A
L
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M
Y
A
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I
K
S
I
D
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
74.58
30%
-62
- C3 -
1GL9
-
RGYR_ARCFU
B:
[507-1043]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
L
F
I
V
E
S
P
T
K
A
R
Q
I
S
R
F
F
-------------------
G
-------------------------
K
P
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V
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A
V
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Y
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P
MQKYV
L
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T
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G
H
--
V
V
D
L
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---------
T
N
R
---
G
FHGVLVNGRF
V
P
V
Y
A
S
-----------
I
K
----------------
V
--
D
N
S
R
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A
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K
L
A
H
D
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T
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N
L
L
S
G
C
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A
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K
L
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N
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---------
R
N
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A
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L
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W
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R
F
Q
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E
E
F
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L
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T
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K
L
V
E
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D
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R
A
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R
A
--------
Y
E
L
Y
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A
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V
W
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K
N
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V
L
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Y
A
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L
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M
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N
Y
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Y
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L
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L
D
Y
L
K
A
L
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D
M
Y
A
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I
K
S
I
D
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
50
Fugue
74.45
26%
-56
- C3 -
4CGY
1
TOP3A_HUMAN
A:
[22-640]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------FS
R
A
A
M
E
M
A
L
RGVR
K
V
L
C
V
A
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K
N
D
A
A
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L
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-------------------
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Y
H
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Q
N
-------------------
V
T
M
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M
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L
L
A
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F
Q
---------
M
Q
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RKW
Q
---------------
S
-----------
C
N
-
P
L
V
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L
F
---
E
A
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K
Y
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---
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G
N
K
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D
Q
A
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P
P
I
H
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------
K
---------
Y
T
N
N
----------
L
Q
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D
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D
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A
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L
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A
D
L
K
L
I
C
D
G
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
K
D
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F
V
V
L
R
Q
Q
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Q
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Y
K
Q
V
F
I
E
A
V
A
K
-----------------------------------------
A
K
K
L
D
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A
L
A
Q
Y
F
G
N
G
T