@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 : gbs0193: (2015-11-29 )
MKGLLDFLVNIASTPAILVALIAIIGLVLQKKGVPDIVKGGIKTFVGFLVVSGGAGIVQNSLNPFGKMFEHAFHLVGVVPNNEAIVAVALTKYGSATALIMLAGMIFNILIARFTKFKYIFLTGHHTLYMACMIAVIFAVAGFTSFSLILFGGLALGIIMSVSPAFVQKYMIQLTGNDKVALGHFGSLGYWLSGFIGGIVGDKSKSTEDIKFPKSLSFLRDSTVSITISMAIIYLIVAVFAGEAYIAKEISNGVNGLVYALQLAGQFAAGVFVILAGVRLILGEIVPAFKGISEKLVPNSKPALDCPIVYPYAPNAVLIGFISSFVGGLVSMIVMIVTGTTVILPGVVPHFFCGATAGVIGNASGGVRGATIGAFVQGILISFLPIFLMPVLGGLGFKGSTFSDADFGLTGIILGALNHVGGAIAIVIGIVVILIGLFGISFVGKSTHKEG
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-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-------------------------------------------------------------------------------------------------------------------------------------------------MK
G
L
L
D
F
L
V
N
IAS
T
P
A
I
L
V
A
L
I
A
I
I
G
L
V
L
QKKG
V
P
D
I
V
K
G
G
I
K
T
F
V
G
F
L
--
V
VSGG------
A
G
I
V
QNSL
N
P
F
G
K
M
---
F
E
H
A
F
H
L
V
G
V-V-PNN
E
A
I
V
A
V
A
LTKYG---
S
A
T
-
A
------
L
---
I
M
L
A
G
M
I
F
N
I
L
I
A
R
F---T
K
F
K
Y
I
F
L
--TG
H
H
T
L
Y
M
A
C
M
I
A
V
I
F
A
V
A
G
F
T
S
F
S
L
I
--
L
F
G
G
L
--
A
L
G
I
I
MSV
S
P
A
F
V
Q
K
Y
-
M
I
Q
L
-----TGND
K
V
A
LGHFG
S
L
----
G
--
Y
W
L
S
G
F
I
G
G
-IVGDKSKSTEDI-KFP
K
S
L
S
F
LRDS
T
V
S
I
T
I
S
M
A
I
I
Y
L
I
------
V
A
V
-F------AG
E
A
Y
I
A
K
E
I
SNG----------
V
N
-------
G
L
V
Y
A
-
L
Q
L
A
G
Q
F
A
A
--
G
V
F
V
I
L
A
G
V
R
L
I
L
G
E
I
V
-----------
P
A
F
K
G
I
---
S
E
K
LVPNSKPALDC
P
I
VYPYA--P
N
A
V
L
I
G
F
---
I
S
S
F
V
G
G
L
V
S
M
I
V
--
M
IVTG
T
T
V
-
I
L--------------------------PGV
V
P
H
F
F
CGATAG-------VIGNASGGVR
G
A
-
T
I
G
A
-
F
V
-----
Q
G
I
L
I
S
F
L
P
I
-
F
L
M
P
V
LG---GL-----GFK----GSTFSDA
D
F
-
G
-
L
--
T
G
I
I
L
G
A
L
N
HVG
G
A
I
A
I
V
I
G
I
V
V
I
L
I
G
L
F
G
I
-------
S
F
VGKSTHKEG------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
92.35
27%
-138
- C3 -
4RP8
1
ULAA_ECOLI
A:
[15-453]
-----------------------------------------------------------------------------------------------------------------------------------------------------------
V
M
T
N
A
P
L
L
L
G
I
V
T
C
L
G
Y
I
L
L
R
K
S
V
S
V
I
I
K
G
T
I
K
T
I
I
G
F
M
--
L
L
Q
A
G
------
S
G
I
L
T
S
T
F
K
P
V
V
A
K
---
M
S
E
V
Y
G
I
N
G
A
-
I
-
S
D
T
Y
A
S
M
M
A
T
I
D
R
M
G
---
D
A
Y
-
S
W
V
G
Y
A
V
L
---
L
A
L
A
L
N
I
C
Y
V
L
L
R
R
I
---
T
G
I
R
T
I
M
L
--
T
G
H
I
M
F
Q
Q
A
G
L
I
A
V
T
L
F
I
F
G
Y
S
M
W
T
T
I
--
I
C
T
A
I
--
L
V
S
L
Y
W
G
I
T
S
N
M
M
Y
K
P
-
T
Q
E
V
-----
T
D
G
C
G
F
S
I
G
H
Q
Q
Q
F
----
A
--
S
W
I
A
Y
K
V
A
P
-
F
L
G
K
K
E
E
S
V
E
D
L
-
K
L
P
G
W
L
N
I
F
H
D
N
I
V
S
T
A
I
V
M
T
I
F
F
G
A
------
I
L
L
-
S
------
F
G
I
D
T
V
-
Q
A
M
A
G
K
----------
V
H
-------
W
T
V
Y
I
-
L
Q
T
G
F
S
F
A
V
--
A
I
F
I
I
T
Q
G
V
R
M
F
V
A
E
L
S
-----------
E
A
F
N
G
I
---
S
Q
R
L
I
P
G
A
V
L
A
I
D
C
A
A
I
Y
S
F
A
--
P
N
A
V
V
W
G
F
---
M
W
G
T
I
G
Q
L
I
A
V
G
I
--
L
V
A
C
G
S
S
I
L
I
I
--------------------------
P
G
F
I
P
M
F
F
S
N
A
T
I
G
-------
V
F
A
N
H
F
G
G
W
R
A
A
-
L
K
I
C
-
L
V
-----
M
G
M
I
E
I
F
G
C
V
-
W
A
V
K
L
T
G
---
M
S
-----
A
W
M
----
G
M
----
A
D
W
-------
S
I
L
A
P
P
M
M
Q
G
F
F
S
I
G
I
A
F
M
A
V
I
I
V
I
A
L
A
Y
M
-------
F
F
A
G
R
A
L
R
A
E
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
59
Fugue
66.21
14%
-135
- C5 -
3W3W
1
IMB3_YEAST
A:
[3-1077]
ALP
E
E
V
N
R
T
L
L
Q
I
V
Q
A
FASD
N
Q
I
R
S
V
A
E
K
A
L
S
EEWITENN
I
E
Y
L
L
T
F
L
A
E
Q
A
A
FSQD
T
T
V
A
A
L
S
A
V
L
F
R
K
L
A
L
K
A
PITHIR
K
E
V
L
A
Q
I
R
S
S
L
L
K
G
F
L
SERA
D
S
I
R
H
K
L
S
D
A
I
A
E
C
VQDDLPAW
P
E
L
L
Q
A
L
I
E
S
L
K
SGN
P
N
F
R
E
S
S
F
R
I
L
T
T
V
P
Y
L
I
T
A
V
D
I
N
S
I
L
P
I
F
Q
S
G
F
---
T
D
A
S
D
N
V
K
I
A
A
V
T
A
F
V
G
Y
F
--
K
Q
-----------
L
P
K
S
E
W
S
K
L
G
I
L
---
L
P
S
L
L
N
S
L
P
R
-
F
-
L
D
D
G
K
D
D
A
L
A
S
V
-
F
E
---
S
L
I
-
E
------
L
---
V
E
L
A
P
K
L
F
K
D
M
F
D
Q
I
---
I
Q
F
T
D
M
V
I
--
K
N
K
D
L
E
P
P
A
R
T
T
A
L
E
L
L
T
V
F
S
E
N
A
P
Q
M
--
C
K
S
N
Q
--
N
Y
G
Q
T
L
V
---
M
V
T
L
I
M
-
M
T
E
V
-----
S
I
D
D
D
D
A
A
E
W
I
E
S
---------------------
D
D
T
D
D
E
E
E
V
-
T
Y
D
H
A
R
Q
A
L
D
R
V
A
L
K
L
----------------------------
G
G
E
Y
L
A
A
P
L
F
Q
Y
----------
L
Q
-------
Q
M
I
T
S
-
T
E
W
R
E
R
F
A
A
--
M
M
A
L
S
S
A
A
-----
E
G
C
A
-----------
D
V
L
I
G
E
---
I
P
K
I
L
D
M
V
I
P
L
I
N
D
P
H
P
R
V
Q
Y
--
G
C
C
N
V
L
G
Q
---
I
S
T
D
F
S
P
F
I
Q
R
T
A
H
D
R
I
L
P
A
L
I
S
-
K
L
--------------------------
T
S
E
C
T
S
R
V
Q
T
H
A
A
A
-------
A
L
V
N
F
S
E
F
A
S
K
D
-
I
L
E
P
-
Y
L
-----
D
S
L
L
T
N
L
L
V
L
-
L
------------------
Q
----
S
N
K
L
Y
V
Q
E
Q
-
A
-
L
--
T
T
I
A
F
I
A
E
A
A
K
N
K
F
I
K
Y
Y
D
T
L
M
P
L
L
L
N
V
L
K
V
-------
N
S
V
L
K
G
K
C
M
E
C
A
T
L
I
G
F
A
V
G
K
E
K
F
H
E
H
S
Q
E
L
I
S
I
L
V
A
L
Q
N
SD
A
L
R
S
Y
L
E
Q
S
W
S
R
I
C
R
I
L
GDDFVPLLPIVI
P
P
L
L
I
T
A
K
ATQDVGLIEEEEAANFQQYPD
W
D
V
V
Q
V
QG
K
H
I
A
I
H
T
S
V
L
D
D
K
V
S
A
M
E
L
L
Q
S
Y
A
T
L
L
RGQFAVY
V
K
E
V
M
E
EI
A
L
P
S
L
D
FYLH
D
G
V
R
A
A
G
A
T
L
I
P
I
L
L
S
C
L
L
A
AE
E
L
V
L
L
W
H
K
A
S
S
K
L
I
G
G
L
M
S
EPM
P
E
I
T
Q
V
Y
H
N
S
L
V
N
G
I
K
V
M
GDNCLS
E
D
Q
L
A
A
F
T
K
G
V
S
A
N
L
T
D
T
Y
E
R
M
Q
DRDEYNED
F
T
D
E
D
L
L
D
E
I
N
K
S
I
A
A
V
L
K
T
T
N
GHY
L
K
N
L
E
N
I
W
P
M
I
N
T
F
L
LE
P
I
L
V
I
F
A
L
V
V
I
G
D
L
I
Q
YEQTASMKNAF
I
P
K
V
T
E
C
L
ISPD
A
R
I
R
Q
A
A
S
Y
I
I
G
V
C
A
Q
YAPSTYADVCIPT
L
D
T
L
V
Q
I
V
DGSKLEEN
R
S
S
T
E
N
A
S
A
A
I
A
K
I
L
Y
A
Y
NSNIPD
T
Y
T
A
N
W
F
K
T
LPTITD
K
E
A
A
S
F
N
Y
Q
F
L
S
QVCAQSN
I
S
A
V
V
D
S
V
I
Q
A
L
N
E
RSLT
V
I
S
S
V
K
K
L
L
G
F
L
P
S
S
D
A
M
A
I
F
N
RYP
A
D
I
M
E
K
V
H
K
W
F
54
Fugue
59.63
17%
-127
* C4 *
4OV8
9
?
A:
[6-472]
--------------------------------------------------------------------------------------------------------------------------------------------------
D
T
L
N
D
V
I
Q
D
P
T
R
R
N
K
L
I
N
D
N
N
L
L
K
G
I
I
M
G
R
D
G
P
V
P
S
S
R
E
L
I
V
-------------------------
R
P
D
T
L
R
A
I
---
I
N
N
R
A
T
I
E
T
T
-
T
-
M
E
A
E
F
T
E
T
L
M
E
S
N
Y
N
---
S
A
S
-
V
------
K
---
V
S
A
P
C
I
T
A
N
S
E
Y
S
E
S
---
S
S
F
K
N
T
----
E
T
E
K
S
M
Y
T
S
S
R
Y
L
F
P
Q
G
R
I
D
F
T
T
P
D
S
------------
G
D
V
I
K
L
S
P
Q
F
T
S
G
V
-
Q
A
A
L
A
KAT
G
T
E
K
R
E
A
L
Q
N
L
F
Q
E
Y
----
G
CV
F
R
T
K
V
H
I
G
G
-
V
L
S
--
A
H
T
M
E
T
F
-
S
R
S
E
N
E
T
E
V
K
Q
D
-
V
K
A
G
L
E
G
A
V
K
G
W
G
------
G
G
A
-
T
------
A
G
H
G
N
T
Q
G
T
I
T
T
S
QN
R
K
L
N
V
K
Y
I
V
N
-------
G
G
D
Y
T
K
I
Q
N
T
E
E
W
V
A
--
S
T
N
Q
S
E
H
W
R
V
I
E
V
T
E
V
T
-----------
A
V
A
D
L
L
---
P
Q
P
I
R
G
Q
V
K
D
L
L
K
-
P
L
L
G
K
W
V
--
D
-----------
V
E
K
V
P
G
L
E
S
L
P
V
--
S
V
Y
R
P
K
G
A
-
I
P
--------------------------
A
G
---
W
F
W
L
G
D
T
A
D
AS
K
A
L
L
V
K
P
T
L
P
A
R
S
G
R
N
P
-
A
L
T
S
-
L
H
-----
Q
G
S
G
M
T
E
Q
P
F
-
V
D
L
P
Q
Y
Q
---
Y
L
S
TYFG
S
F
A
----
H
D
T
P
P
G
S
T
L
R
G
-
L
R
P
D
H
V
L
P
G
R
Y
E
M
H
G
D
T
I
S
T
A
V
Y
V
T
R
P
V
D
V
P
F
P
E
D
E
A
F
DLK
S
L
V
R
V
K
L
P
G
S
G
NPPKPR
S
A
L
K
KSMVLFD-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
57
Fugue
57.45
15%
-116
- C2 -
4QIQ
1
XYLE_ECOLI
A:
[7-470]
------------------------------------------------------------------------------------------------------------------------------------------------------
S
Y
I
F
S
I
T
L
V
A
T
L
G
G
L
L
F
G
Y
D
T
A
V
I
S
G
---------
T
V
E
S
L
N
T
V
F
--
V
A
P
Q
N
------
L
S
-
E
S
A
A
N
S
L
L
G
F
C
---
V
--
A
S
A
L
I
G
C
-
I
-
I
G
-
G
A
L
G
G
Y
C
S
N
R
F
G
---
R
R
D
-
S
------
L
---
K
I
A
A
V
L
F
F
I
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G
V
G
S
A
WPE
L
G
F
T
S
I
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--
D
N
T
V
P
V
Y
L
A
G
Y
------
V
P
E
F
V
I
Y
R
I
I
----
G
G
I
--
G
V
G
L
A
S
M
L
S
P
M
Y
I
A
E
L
-
A
P
A
H
-----
I
R
G
K
L
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F
N
Q
F
A
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I
----
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--
G
Q
L
L
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Y
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-
Y
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A
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A
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N
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I
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A
L
L
F
L
M
L
L
Y
T
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PESPRW
L
M
T
-
L
------
A
T
Q
A
V
Q
E
I
K
H
S
L
D
----------
R
L
-------
L
M
F
G
V
-
G
V
I
V
I
G
V
M
L
--
S
I
F
Q
Q
F
V
G
I
N
V
V
L
Y
Y
A
P
-----------
E
V
F
K
T
L
GAS
T
D
I
A
L
L
Q
T
I
I
V
G
V
I
N
L
T
F
T
V
L
--
A
I
M
T
V
D
K
F
GRK
P
L
Q
I
I
G
A
L
G
M
A
I
G
--
M
F
S
L
G
T
A
F
-
Y
T
QA------------------------
P
G
I
V
A
L
L
S
M
L
F
Y
V
A
-------
A
F
A
M
S
W
G
P
V
C
W
V
-
L
L
S
E
I
F
P
-----
N
A
I
R
G
K
A
L
A
I
-
A
V
A
A
Q
W
L
---
A
N
-----
Y
F
V
----
S
W
T
F
P
M
M
D
K
-
N
-----
S
W
L
V
A
H
F
H
--
N
G
F
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Y
W
I
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M
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V
L
A
A
L
F
M
W
-------
K
F
V
P
E
T
K
G
K
T
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
58
Fugue
55.54
13%
-137
* C5 *
4U1C
-
EIF3C_YEAST
C:
[6-549]
---------------------------------------------------------------------------------------------------------------------------------------------QEDF
F
T
R
L
Q
T
I
I
D
S
R
G
K
K
T
V
N
Q
Q
S
L
I
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L
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L
L
T
V
A
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P
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I
M
A
Y
L
T
L
I
P
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R
--
F
D
A
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A
NLSYQP
I
D
Q
W
K
S
S
F
N
D
I
S
K
L
---
L
S
I
L
D
Q
T
I
D
T
-
Y
-
Q
V
N
E
F
A
D
P
I
D
F
I
E
D
E
PKE
D
S
D
-
G
------
V
---
K
R
I
L
G
S
I
F
S
F
V
E
R
L
D
---
D
E
F
M
K
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L
L
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D
P
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Y
L
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L
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N
L
I
L
R
T
Q
L
Y
--
F
E
A
T
L
KD
E
H
D
L
E
R
A
L
T
R
P
F
V
K
R
L
D
H
I
Y
Y
-----
K
S
E
N
L
I
K
I
M
E
T
A
A
W
NIIP
A
--
Q
F
K
S
K
F
T
S
K
-
D
Q
L
D
S
A
D
Y
V
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L
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N
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A
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A
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L
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Y
------
Y
T
A
-
L
NKDFQT
A
K
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M
L
L
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Q
V
Q
T
N
----------
I
N
QFDSSLQ
I
L
F
N
R
-
V
V
V
Q
L
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L
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A
--
F
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L
C
L
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L
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SSSHLREILGQ
Q
S
L
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R
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---
S
L
N
S
S
N
N
A
S
A
D
E
R
A
R
Q
C
L
P
Y
H
QH
I
N
L
D
L
I
D
V
---
V
F
L
T
C
S
L
L
I
E
I
P
R
--
M
T
A
F
Y
S
G
I
-
K
V
KRIPYSPKSIRRSLEHYDKLSFQGPP
E
T
L
R
D
Y
V
L
F
A
A
K
S
M
-------
Q
K
G
N
W
R
D
S
V
K
Y
L
R
E
I
K
S
-
W
A
LLPNM
E
T
V
L
N
S
L
T
E
R
-
V
Q
V
E
S
L
K
---
T
Y
-----
F
F
S
FKRF
Y
S
S
F
S
V
A
K
L
-
A
E
L
--
F
D
L
P
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N
K
V
V
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V
I
A
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D
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K
T
I
-------
F
V
V
E
K
G
D
E
I
T
K
LEEAMVKL----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
60
Fugue
50.87
17%
-102
- C2 -
1DDT
-
?
?:
[200-380]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
C
I
-
N
------
L
D
W
D
V
I
R
D
K
T
K
T
K
----------
I
E
-------
S
L
K
E
H
-
G
P
I
K
N
K
M
S
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SP
N
K
T
V
S
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E
K
A
K
Q
Y
L
E
E
F
H
-----------
Q
T
A
--
L
---
E
H
P
E
L
S
E
L
K
T
V
T
G
T
N
P
V
F
A
G
A
--
N
Y
A
A
W
A
V
N
---
V
A
Q
V
I
D
S
E
T
A
D
N
L
--
E
K
T
T
A
A
L
S
-
I
L
--------------------------
P
G
---------
I
G
S
-------
V
M
G
I
A
D
G
A
V
H
H
N
-
T
E
E
I
-
V
A
-----
Q
S
I
A
L
S
S
L
M
V
A
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A
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P
L
V
G
ELV
D
I
-----
G
F
A
----
A
Y
N
F
V
E
S
I
I
-
N
-
L
--
F
Q
V
V
H
N
S
Y
N
R
P
A
Y
S
P
G
H
K
T
Q
P
F
L
H
D
G
Y
A
V
S
W
-------
N
T
V
E
D
S
I
I
R
T
G
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
52
Fugue
46.92
10%
-111
- C2 -
4KVS
3
ALDEC_PROMM
A:
[22-242]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
L
P
D
F
T
S
D
R
Y
K
D
A
Y
S
R
I
N
A
I
V
I
E
G
------
E
Q
E
A
H
D
N
Y
I
A
I
G
T
L
---
L
P
D
H
V
E
E
L
K
R
-
L
-
A
K
M
E
M
R
H
K
K
G
F
T
A
C
G
---
K
N
L
-
G
------
V
EAD
M
D
F
A
R
E
F
F
A
P
L
R
D
N
F
---
Q
T
A
L
G
-
Q
G
--
K
T
P
T
C
L
L
I
Q
A
L
L
I
E
A
F
A
I
S
F
Y
H
T
Y
I
P
V
---------
S
D
P
F
A
R
K
I
T
E
G
V
V
K
D
E
-
Y
T
H
L
-----
N
Y
G
E
A
W
L
K
A
N
L
E
S
C
----
R
--
E
E
L
L
E
A
N
R
E
-
N
L
P
L
I
R
R
M
L
D
Q
V
-
A
G
D
A
A
V
L
Q
M
D
K
E
D
L
I
E
D
F
L
I
A
Y
Q
E
S
L
------
T
E
I
-
G
------
F
N
T
R
E
I
T
R
M
A
A
A
A
----------
L
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
56
Fugue
45.20
9%
-102
* C2 *
2OC5
4
ALDEC_PROMM
A:
[21-241]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
A
L
P
D
F
T
S
D
R
Y
K
D
A
Y
S
R
I
N
A
I
V
I
E
G
------
E
Q
E
A
H
D
N
Y
I
A
I
G
T
L
L
P
D
H
V
E
E
L
K
R
L
A
K
M
E
M
R
H
K
K
G
F
T
A
C
G
K
N
L
G
V
---
E
A
D
M
D
------------
F
A
R
E
F
F
A
P
L
R
D
N
F
---
Q
T
A
L
G
-
Q
G
--
K
T
P
T
C
L
L
I
Q
A
L
L
I
E
A
F
A
I
S
A
Y
H
T
Y
I
P
V
SD
P
F
A
R
K
--
I
T
E
G
V
V
K
D
E
Y
T
H
L
N
Y
G
-
E
A
W
L
-----
K
A
N
L
E
S
C
R
E
E
L
L
E
A
----
N
--
R
E
N
L
P
L
I
R
R
M
L
D
Q
V
A
G
D
A
A
V
L
Q
M
D
K
E
D
L
I
E
D
F
L
I
A
Y
Q
E
S
L
T
E
I
G
F
N
T
R
E
------
I
T
R
M
A
------
A
A
A
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
34
PsiBlast_CBE
43.55
34%
-20
- C3 -
1AU9
1
A:
[30-72]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
I
D
S
G
I
D
S
S
H
P
D
L
--
K
V
A
G
G
------
A
S
F
V
P
S
E
T
N
P
F
Q
D
N
---
N
S
H
G
T
H
V
A
G
T
-
V
-
A
A
L
N
N
S
I
G
V
L
G
V
A
P
C
---
A
S
L
-
Y
------
A
---
V
K
V
L
G
A
D
G
S
G
Q
Y
S
W
I
---
I
N
G
I
E
W
A
I
--
A
N
N
M
D
V
I
N
M
S
L
G
G
P
S
G
S
A
A
L
K
A
A
V
D
K
A
--
V
A
S
G
V
--
V
V
V
A
A
A
G
N
E
G
T
S
G
S
S
S
-
T
V
G
Y
-----
P
A
K
Y
P
S
V
I
A
V
G
A
V
D
----
S
--
S
N
Q
R
A
S
F
S
S
-
V
G
P
E
L
D
V
M
A
P
G
V
-
S
I
C
S
T
L
P
G
N
K
Y
G
A
K
S
G
T
S
M
A
S
P
H
V
A
G
------
A
A
A
-
L
------
I
L
S
K
H
P
N
W
T
N
T
Q
V
----------
R
S
-------
S
L
E
N
T
-
T
T
K
L
G
D
S
F
Y
--
Y
G
K
G
L
I
N
V
Q
A
A
A
Q
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
35
PsiBlast_CBE
43.45
34%
-14
- C3 -
1AQN
1
A:
[30-72]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
I
D
S
G
I
D
S
S
H
P
D
L
--
K
V
A
G
G
------
A
S
F
V
P
S
E
T
N
P
F
Q
D
N
---
N
S
H
G
T
H
V
A
G
T
-
V
-
A
A
L
N
N
S
I
G
V
L
G
V
A
P
C
---
A
S
L
-
Y
------
A
---
V
K
V
L
G
A
D
G
S
G
Q
Y
S
W
I
---
I
N
G
I
E
W
A
I
--
A
N
N
M
D
V
I
N
M
S
L
G
G
P
S
G
S
A
A
L
K
A
A
V
D
K
A
--
V
A
S
G
V
--
V
V
V
A
A
A
G
N
E
G
T
S
G
S
S
S
-
T
V
G
Y
-----
P
A
K
Y
P
S
V
I
A
V
G
A
V
D
----
S
--
S
N
Q
R
A
S
F
S
S
-
V
G
P
E
L
D
V
M
A
P
G
V
-
S
I
C
S
T
L
P
G
N
K
Y
G
A
K
S
G
T
S
M
A
S
P
H
V
A
G
------
A
A
A
-
L
------
I
L
S
K
H
P
N
W
T
N
T
Q
V
----------
R
S
-------
S
L
E
N
T
-
T
T
K
L
G
D
S
F
Y
--
Y
G
K
G
L
I
N
V
Q
A
A
A
Q
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
43.18
34%
-12
- C3 -
1Y48
2
E:
[30-72]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
I
D
S
G
I
D
S
S
H
P
D
L
--
K
V
A
G
G
------
A
S
M
V
P
S
E
T
N
P
F
Q
D
N
---
N
S
H
G
T
H
V
A
G
T
-
V
-
A
A
L
N
N
S
I
G
V
L
G
V
A
P
S
---
A
S
L
-
Y
------
A
---
V
K
V
L
G
A
D
G
S
G
Q
Y
S
W
I
---
I
N
G
I
E
W
A
I
--
A
N
N
M
D
V
I
N
M
S
L
G
G
P
S
G
S
A
A
L
K
A
A
V
D
K
A
--
V
A
S
G
V
--
V
V
V
A
A
A
G
N
E
G
T
S
G
S
S
S
-
T
V
G
Y
-----
P
G
K
Y
P
S
V
I
A
V
G
A
V
D
----
S
--
S
N
Q
R
A
S
F
S
S
-
V
G
P
E
L
D
V
M
A
P
G
V
-
S
I
Q
S
T
L
P
G
N
K
Y
G
A
Y
N
G
T
S
M
A
S
P
H
V
A
G
------
A
A
A
-
L
------
I
L
S
K
H
P
N
W
T
N
T
Q
V
----------
R
S
-------
S
L
E
N
T
-
T
T
K
L
G
D
S
F
Y
--
Y
G
K
G
L
I
N
V
Q
A
A
A
Q
H
H
H
H
-----------
H
H
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
28
PsiBlast_CBE
43.11
34%
-13
- C3 -
1Y34
2
E:
[30-72]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
I
D
S
G
I
D
S
S
H
P
D
L
--
K
V
A
G
G
------
A
S
M
V
P
S
E
T
N
P
F
Q
D
N
---
N
S
H
G
T
H
V
A
G
T
-
V
-
A
A
L
N
N
S
I
G
V
L
G
V
A
P
S
---
A
S
L
-
Y
------
A
---
V
K
V
L
G
A
D
G
S
G
Q
Y
S
W
I
---
I
N
G
I
E
W
A
I
--
A
N
N
M
D
V
I
N
M
S
L
G
G
P
S
G
S
A
A
L
K
A
A
V
D
K
A
--
V
A
S
G
V
--
V
V
V
A
A
A
G
N
E
G
T
S
G
S
S
S
-
T
V
G
Y
-----
P
G
K
Y
P
S
V
I
A
V
G
A
V
D
----
S
--
S
N
Q
R
A
S
F
S
S
-
V
G
P
E
L
D
V
M
A
P
G
V
-
S
I
Q
S
T
L
P
G
N
K
Y
G
A
Y
N
G
T
S
M
A
S
P
H
V
A
G
------
A
A
A
-
L
------
I
L
S
K
H
P
N
W
T
N
T
Q
V
----------
R
S
-------
S
L
E
N
T
-
T
T
K
L
G
D
S
F
Y
--
Y
G
K
G
L
I
N
V
Q
A
A
A
Q
H
H
H
H
-----------
H
H
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
43.10
34%
-10
- C3 -
1TM3
2
E:
[30-72]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
I
D
S
G
I
D
S
S
H
P
D
L
--
K
V
A
G
G
------
A
S
M
V
P
S
E
T
N
P
F
Q
D
N
---
N
S
H
G
T
H
V
A
G
T
-
V
-
A
A
L
N
N
S
I
G
V
L
G
V
A
P
S
---
A
S
L
-
Y
------
A
---
V
K
V
L
G
A
D
G
S
G
Q
Y
S
W
I
---
I
N
G
I
E
W
A
I
--
A
N
N
M
D
V
I
N
M
S
L
G
G
P
S
G
S
A
A
L
K
A
A
V
D
K
A
--
V
A
S
G
V
--
V
V
V
A
A
A
G
N
E
G
T
S
G
S
S
S
-
T
V
G
Y
-----
P
G
K
Y
P
S
V
I
A
V
G
A
V
D
----
S
--
S
N
Q
R
A
S
F
S
S
-
V
G
P
E
L
D
V
M
A
P
G
V
-
S
I
Q
S
T
L
P
G
N
K
Y
G
A
Y
N
G
T
S
M
A
S
P
H
V
A
G
------
A
A
A
-
L
------
I
L
S
K
H
P
N
W
T
N
T
Q
V
----------
R
S
-------
S
L
E
N
T
-
T
T
K
L
G
D
S
F
Y
--
Y
G
K
G
L
I
N
V
Q
A
A
A
Q
H
H
H
H
-----------
H
H
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
37
PsiBlast_CBE
43.02
34%
-10
- C3 -
1YJC
1
A:
[30-72]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
I
D
S
G
I
D
S
S
H
P
D
L
--
K
V
A
G
G
------
A
S
F
V
P
S
E
T
N
P
F
Q
D
N
---
N
S
H
G
T
H
V
A
G
T
-
V
-
A
A
L
D
N
S
I
G
V
L
G
V
A
P
S
---
A
S
L
-
Y
------
A
---
V
K
V
L
G
A
D
G
S
G
Q
Y
S
W
I
---
I
N
G
I
E
W
A
I
--
A
N
N
M
D
V
I
N
M
S
L
G
G
P
S
G
S
A
A
L
K
A
A
V
D
K
A
--
V
A
S
G
V
--
V
V
V
A
A
A
G
N
E
G
T
S
G
S
S
S
-
T
V
G
Y
-----
P
A
K
Y
P
S
V
I
A
V
G
A
V
D
----
S
--
S
N
Q
R
A
S
F
S
S
-
V
G
P
E
L
D
V
M
A
P
G
V
-
S
I
C
S
T
L
P
G
N
K
Y
G
A
Y
S
G
T
S
M
A
S
P
H
V
A
G
------
A
A
A
-
L
------
I
L
S
K
H
P
N
W
T
N
T
Q
V
----------
R
S
-------
S
L
E
N
T
-
T
T
Y
L
G
D
S
F
Y
--
Y
G
K
G
L
I
N
V
Q
A
A
A
Q
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
40
PsiBlast_CBE
43.01
34%
-11
- C3 -
1SBH
1
A:
[30-72]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
I
D
S
G
I
D
S
S
H
P
D
L
--
K
V
A
G
G
------
A
S
F
V
P
S
E
T
N
P
F
Q
D
N
---
N
S
H
G
T
H
V
A
G
T
-
V
-
A
A
L
D
N
S
I
G
V
L
G
V
A
P
S
---
A
S
L
-
Y
------
A
---
V
K
V
L
G
A
D
G
S
G
Q
Y
S
W
I
---
I
N
G
I
E
W
A
I
--
A
N
N
M
D
V
I
N
M
S
L
G
G
P
S
G
S
A
A
L
K
A
A
V
D
K
A
--
V
A
S
G
V
--
V
V
V
A
A
A
G
N
E
G
T
S
G
S
S
S
-
T
V
G
Y
-----
P
A
K
Y
P
S
V
I
A
V
G
A
V
D
----
S
--
S
N
Q
R
A
S
F
S
S
-
V
G
P
E
L
D
V
M
A
P
G
V
-
S
I
C
S
T
L
P
G
N
K
Y
G
A
Y
S
G
T
S
M
A
S
P
H
V
A
G
------
A
A
A
-
L
------
I
L
S
K
H
P
N
W
T
N
T
Q
V
----------
R
S
-------
S
L
E
N
T
-
T
T
Y
L
G
D
S
F
Y
--
Y
G
K
G
L
I
N
V
Q
A
A
A
Q
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
42.93
34%
-8
- C3 -
1TMG
3
E:
[30-72]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
I
D
S
G
I
D
S
S
H
P
D
L
--
K
V
A
G
G
------
A
S
M
V
P
S
E
T
N
P
F
Q
D
N
---
N
S
H
G
T
H
V
A
G
T
-
V
-
A
A
L
N
N
S
I
G
V
L
G
V
A
P
S
---
A
S
L
-
Y
------
A
---
V
K
V
L
G
A
D
G
S
G
Q
Y
S
W
I
---
I
N
G
I
E
W
A
I
--
A
N
N
M
D
V
I
N
M
S
L
G
G
P
S
G
S
A
A
L
K
A
A
V
D
K
A
--
V
A
S
G
V
--
V
V
V
A
A
A
G
N
E
G
T
S
G
S
S
S
-
T
V
G
Y
-----
P
G
K
Y
P
S
V
I
A
V
G
A
V
D
----
S
--
S
N
Q
R
A
S
F
S
S
-
V
G
P
E
L
D
V
M
A
P
G
V
-
S
I
Q
S
T
L
P
G
N
K
Y
G
A
Y
N
G
T
S
M
A
S
P
H
V
A
G
------
A
A
A
-
L
------
I
L
S
K
H
P
N
W
T
N
T
Q
V
----------
R
S
-------
S
L
E
N
T
-
T
T
K
L
G
D
S
F
Y
--
Y
G
K
G
L
I
N
V
Q
A
A
A
Q
H
H
H
H
-----------
H
H
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
42.89
34%
-10
- C3 -
1TM4
2
E:
[30-72]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
I
D
S
G
I
D
S
S
H
P
D
L
--
K
V
A
G
G
------
A
S
M
V
P
S
E
T
N
P
F
Q
D
N
---
N
S
H
G
T
H
V
A
G
T
-
V
-
A
A
L
N
N
S
I
G
V
L
G
V
A
P
S
---
A
S
L
-
Y
------
A
---
V
K
V
L
G
A
D
G
S
G
Q
Y
S
W
I
---
I
N
G
I
E
W
A
I
--
A
N
N
M
D
V
I
N
M
S
L
G
G
P
S
G
S
A
A
L
K
A
A
V
D
K
A
--
V
A
S
G
V
--
V
V
V
A
A
A
G
N
E
G
T
S
G
S
S
S
-
T
V
G
Y
-----
P
G
K
Y
P
S
V
I
A
V
G
A
V
D
----
S
--
S
N
Q
R
A
S
F
S
S
-
V
G
P
E
L
D
V
M
A
P
G
V
-
S
I
Q
S
T
L
P
G
N
K
Y
G
A
Y
N
G
T
S
M
A
S
P
H
V
A
G
------
A
A
A
-
L
------
I
L
S
K
H
P
N
W
T
N
T
Q
V
----------
R
S
-------
S
L
E
N
T
-
T
T
K
L
G
D
S
F
Y
--
Y
G
K
G
L
I
N
V
Q
A
A
A
Q
H
H
H
H
-----------
H
H
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
38
PsiBlast_CBE
42.86
34%
-19
- C3 -
1YJB
1
A:
[30-72]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
I
D
S
G
I
D
S
S
H
P
D
L
--
K
V
A
G
G
------
A
S
F
V
P
S
E
T
N
P
F
Q
D
N
---
N
S
H
G
T
H
V
A
G
T
-
V
-
A
A
L
D
N
S
I
G
V
L
G
V
A
P
S
---
A
S
L
-
Y
------
A
---
V
K
V
L
G
A
D
G
S
G
Q
Y
S
W
I
---
I
N
G
I
E
W
A
I
--
A
N
N
M
D
V
I
N
M
S
L
G
G
P
S
G
S
A
A
L
K
A
A
V
D
K
A
--
V
A
S
G
V
--
V
V
V
A
A
A
G
N
E
G
T
S
G
S
S
S
-
T
V
G
Y
-----
P
A
K
Y
P
S
V
I
A
V
G
A
V
D
----
S
--
S
N
Q
R
A
S
F
S
S
-
V
G
P
E
L
D
V
M
A
P
G
V
-
S
I
C
S
T
L
P
G
N
K
Y
G
A
Y
S
G
T
S
M
A
S
P
H
V
A
G
------
A
A
A
-
L
------
I
L
S
K
H
P
N
W
T
N
T
Q
V
----------
R
S
-------
S
L
E
N
T
-
T
T
Y
L
G
D
S
F
Y
--
Y
G
K
G
L
I
N
V
Q
A
A
A
Q
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
42.76
34%
-7
- C3 -
1TM7
3
E:
[30-72]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
I
D
S
G
I
D
S
S
H
P
D
L
--
K
V
A
G
G
------
A
S
M
V
P
S
E
T
N
P
F
Q
D
N
---
N
S
H
G
T
H
V
A
G
T
-
V
-
A
A
L
N
N
S
I
G
V
L
G
V
A
P
S
---
A
S
L
-
Y
------
A
---
V
K
V
L
G
A
D
G
S
G
Q
Y
S
W
I
---
I
N
G
I
E
W
A
I
--
A
N
N
M
D
V
I
N
M
S
L
G
G
P
S
G
S
A
A
L
K
A
A
V
D
K
A
--
V
A
S
G
V
--
V
V
V
A
A
A
G
N
E
G
T
S
G
S
S
S
-
T
V
G
Y
-----
P
G
K
Y
P
S
V
I
A
V
G
A
V
D
----
S
--
S
N
Q
R
A
S
F
S
S
-
V
G
P
E
L
D
V
M
A
P
G
V
-
S
I
Q
S
T
L
P
G
N
K
Y
G
A
Y
N
G
T
S
M
A
S
P
H
V
A
G
------
A
A
A
-
L
------
I
L
S
K
H
P
N
W
T
N
T
Q
V
----------
R
S
-------
S
L
E
N
T
-
T
T
K
L
G
D
S
F
Y
--
Y
G
K
G
L
I
N
V
Q
A
A
A
Q
H
H
H
H
-----------
H
H
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
42.74
34%
-11
- C3 -
1TM5
2
E:
[30-72]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
I
D
S
G
I
D
S
S
H
P
D
L
--
K
V
A
G
G
------
A
S
M
V
P
S
E
T
N
P
F
Q
D
N
---
N
S
H
G
T
H
V
A
G
T
-
V
-
A
A
L
N
N
S
I
G
V
L
G
V
A
P
S
---
A
S
L
-
Y
------
A
---
V
K
V
L
G
A
D
G
S
G
Q
Y
S
W
I
---
I
N
G
I
E
W
A
I
--
A
N
N
M
D
V
I
N
M
S
L
G
G
P
S
G
S
A
A
L
K
A
A
V
D
K
A
--
V
A
S
G
V
--
V
V
V
A
A
A
G
N
E
G
T
S
G
S
S
S
-
T
V
G
Y
-----
P
G
K
Y
P
S
V
I
A
V
G
A
V
D
----
S
--
S
N
Q
R
A
S
F
S
S
-
V
G
P
E
L
D
V
M
A
P
G
V
-
S
I
Q
S
T
L
P
G
N
K
Y
G
A
Y
N
G
T
S
M
A
S
P
H
V
A
G
------
A
A
A
-
L
------
I
L
S
K
H
P
N
W
T
N
T
Q
V
----------
R
S
-------
S
L
E
N
T
-
T
T
K
L
G
D
S
F
Y
--
Y
G
K
G
L
I
N
V
Q
A
A
A
Q
H
H
H
H
-----------
H
H
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------