@TOME V2.3
(Nov 2016)
Ref.
-
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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 : PA1085: (2016-01-26 )
MDSRLLSGIGAGPDSGSYTDLNRLNQLKVGKDRDGEANIRKVAQEFESLFLNEMLKSMRSANEALGDGNFMNSQTTKQYQDMYDQQLSVSLSKNAGGIGLADVLVRQLSKMKQGSRGNGENPFARVAENGAGRWPSNPSAQAGKALPMPEAGRDDSKLLNQRRLALPGKLAERMLAGIVPSASPAASQMQSLGQDSYLPAQSYPAASRRGFSTDGVDSQGSRRIAQPPLARGKSMFASADEFIATMLPMAQKAAERIGVDARYLVAQAALETGWGKSIIRQQDGGSSHNLFGIKTGSRWDGASARALTTEYEGGKAVKEIAAFRSYSSFEQSFHDYVSFLQGNDRYQNALDSAANPERFMQELQRAGYATDPQYARKVAQIARQMQTYQAVAAAGTPPLG
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-------------------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MD
S
R
L
L
S
GIGAGPDSGSY
T
D
L
N
R
L
N
Q
LKVGKDRDG
E
-----
A
N
I
R
K
V
A
Q
E
F
E
S
L
F
L
N
E
M
L
K
S
M
R
S
A
N
EAL---G------------DGNFMN
S
Q
T
T
K
Q
Y
Q
D
M
Y
D
Q
Q
L
S
V
S
L-SKNAGGI
G
L
A
D
V
L
--
V
R
Q
L
S
K
M
--KQGSRG--NGEN
P
F
-----
A
R
V
A
ENG----AGRWPSNPSAQAGKA-LPMPEAGR----
D
D
S
K
L
L
N
Q
R
RLAL
P
G
K
L
A
E
R
M
L
A
G
IVPSAS
P
A
A
S
Q
M
Q
S
LGQDSYL--PAQSYP--AASRRGFSTDGVDSQGSRRIAQ-PPLAR
G
K
S
MF
A
--
S
A
D
E
F
I
A
T
--
M
L
P
M
-
A
Q
K
A
A
E
RIGV
D
A
R
Y
L
V
A
Q
A
A
L
ETGW---------------------
G
K
S
I
I
RQQDGG---SS-H
N
L
F
G
I
-----KTGSRWDGASA
R
A
L
T
TEYEG
G
---
K
A
V
K
E
I
-
A
A
--
F
RS
Y
S
S
F
E
Q
S
F
H
-------
D
Y
V
S
F
LQG-----
N
D
R
-----
Y
Q
-----
N
A
L
DSAA
N
---
P
----------
E
R
F
M
Q
E
L
Q
RA-GYAT
D
P
Q
Y
----
A
R
K
V
A
Q
I
A
--
R
Q
M
Q
---
T
Y
Q
A
V
AAAGTPPLG---------------------------------------------------------------------------------------------------------------------------------------------------------
34
Fugue
93.82
43%
-90
- C8 -
2ZYC
1
?
A:
[2-164]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
Q
A
F
V
D
A
--
T
W
P
Q
-
A
A
K
A
A
Q
S
L
G
V
P
A
H
F
L
V
A
Q
A
A
L
E
T
G
W
---------------------
G
K
S
Q
I
R
N
K
D
G
T
---
P
S
-
Y
N
L
F
N
I
-----
K
A
G
S
N
W
T
G
K
V
V
E
A
R
T
V
K
V
----------
R
V
-
E
R
--
F
R
A
Y
D
S
Y
E
Q
A
F
Q
-------
D
Y
A
D
L
V
G
N
-----
S
P
R
-----
Y
A
-----
K
V
A
G
-
K
T
D
---
G
----------
H
A
F
A
R
A
L
Q
E
G
-
G
Y
A
T
D
P
S
Y
----
A
D
K
L
A
R
V
I
N
G
N
A
L
R
---
Q
R
L
M
A
S
A
A
S
A
R
G
L
E
---------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
86.11
47%
-75
- C8 -
3VWO
1
?
A:
[1-142]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
Q
A
F
V
D
A
--
T
W
P
Q
-
A
A
K
A
A
Q
S
L
G
V
P
A
H
F
L
V
A
Q
A
A
L
E
T
G
W
---------------------
G
K
S
Q
I
R
N
K
D
G
T
---
P
S
-
Y
N
L
F
N
I
-----
K
A
G
S
N
W
T
G
K
V
V
E
A
R
T
V
E
Y
E
N
G
---
Q
R
K
V
R
V
-
E
R
--
F
R
A
Y
D
S
Y
E
Q
A
F
Q
-------
D
Y
A
D
L
V
G
N
-----
S
P
R
-----
Y
A
-----
K
-
V
A
G
K
T
D
---
G
----------
H
A
F
A
R
A
L
Q
E
G
-
G
Y
A
T
D
P
S
Y
----
A
D
K
L
A
R
V
I
--
N
G
N
A
---
L
R
Q
R
L
M
H
H
---------------------------------------------------------------------------------------------------------------------------------------------------------------
21
HHSearch
76.41
27%
-66
- C8 -
3FI7
1
?
A:
[23-183]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
A
S
T
P
T
--
F
Q
Q
T
F
I
N
S
--
I
S
T
Q
-
A
M
D
L
C
K
K
Y
N
L
Y
P
S
V
M
I
A
Q
A
A
L
E
S
N
W
---------------------
G
R
S
E
L
G
K
A
-------
P
N
Y
N
L
F
G
I
-----
K
G
S
--
Y
N
G
K
S
V
T
M
K
T
W
E
Y
S
D
S
K--
G
W
Y
Q
I
N
-
A
N
--
F
A
K
Y
P
S
H
K
E
S
L
E
-------
D
N
A
K
K
L
R
N
-----
G
P
S
WDSSY
Y
K
-----
G
A
W
R
E
N
A
K
---
T
----------
Y
K
D
A
T
A
W
L
Q
G
-
R
Y
A
T
D
N
T
Y
----
A
S
K
L
N
T
L
I
--
S
S
Y
N
---
L
T
Q
Y
D
------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
75.05
30%
-67
- C8 -
3FI7
-
?
A:
[33-173]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
I
N
S
--
I
S
T
Q
-
A
M
D
L
C
K
K
Y
N
L
Y
P
S
V
M
I
A
Q
A
A
L
E
S
N
W
---------------------
G
R
S
E
L
G
K
---
A
---
P
N
-
Y
N
L
F
G
I
-----
K
-
G
S
-
Y
N
G
K
S
V
T
M
K
T
W
E
Y
S
D
S
---
K
G
W
Y
Q
I
N
A
N
--
F
A
K
Y
P
S
H
K
E
S
L
E
-------
D
N
A
K
K
L
R
N
GPSWD
S
S
Y
-----
Y
K
-----
G
A
W
R
E
N
A
K
---
T
----------
Y
K
D
A
T
A
W
L
Q
G
-
R
Y
A
T
D
N
T
Y
----
A
S
K
L
N
T
L
I
--
S
S
Y
N
---
L
T
Q
Y
D
------------------------------------------------------------------------------------------------------------------------------------------------------------------
41
Fugue
68.89
16%
-38
- C3 -
4PW8
1
T23O_HUMAN
A:
[26-367]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
Y
G
N
Y
L
H
L
E
K
V
L
N
A
Q
E
L
Q
S
E
T
K
G
N
K
I
H
D
E
-----
H
L
F
I
I
T
H
Q
A
Y
E
-
L
W
F
K
Q
I
L
W
E
L
D
S
V
R
E
I
F
---
Q
------------
N
G
H
V
R
D
-----------
E
R
N
M
L
K
V
V
-
S
R
M
H
R
V
S
V
I
L
K
L
L
--
V
Q
Q
F
S
I
L
--
E
T
M
T
------
A
L
D
F
-----
N
D
F
R
E
Y
L
----
S
------------------
P
A
S
G
F
----
Q
S
--------------
L
Q
F
R
L
L
E
N
K
I
G
V
L
Q
E
E
N
E
L
L
L
K
S
E
Q
E
K
T
L
--
L
E
L
V
E
A
--
W
L
E
R
----
T
P
G
L
E
P
H
G
F
N
-------------
F
W
G
--
K
L
E
K
N
I
T
R
--
G
L
E
E
-
E
F
I
R
I
Q
A
K
E
E
S
E
E
K
E
E
Q
V
A
E
F
Q
K
Q
-----------------------
K
E
V
L
L
S
------------
L
F
D
E
-----
K
R
H
E
H
L
L
S
K
G
E
R
R
L
S
--
Y
R
A
L
---
Q
G
A
L
M
I
-
Y
F
--
Y
R
E
E
P
R
F
Q
V
P
F
Q
-------
L
L
T
S
L
M
D
I
-----
D
S
L
-----
M
T
-----
K
W
R
Y
N
H
V
C
---
M
----------
V
H
R
M
L
----------
G
S
R
Y
------
K
V
F
V
D
L
--
F
N
L
S
---
T
Y
L
-
I
P
R
H
W
I
P
K
M
N
---------------------------------------------------------------------------------------------------------------------------------------------------------
40
Fugue
63.25
12%
2
- C7 -
4P0G
9
MLTF_PSEAE
A:
[7-435]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
P
T
A
L
E
R
V
Q
K
E
G
V
L
R
V
I
T
R
N
S
P
A
T
Y
F
Q
D
R
N
G
E
T
G
F
E
Y
E
L
A
K
R
F
A
E
R
L
G
V
E
L
K
I
E
T
A
D
N
L
D
D
L
Y
A
Q
L
---
S
REGGPALAAAG
L
T
P
G
R
E
D
D
A
S
V
R
Y
S
H
T
Y
L
D
V
T
P
Q
I
I
Y
-
R
N
G
Q
Q
R
P
T
R
P
E
D
L
--
V
G
K
R
I
M
V
--
L
K
G
S
-
S
--
H
A
E
Q
L
A
-----
E
L
K
K
Q
Y
P
----
E
L
K
Y
E
E
S
D
A
V
E
V
V
D
L
-
L
R
M
V
D
V
G
D
----
I
D
L
T
L
V
D
S
N
E
L
A
M
N
Q
V
Y
F
P
N
V
R
V
A
F
D
F
G
E
A
R
G
L
A
W
A
L
P
G
G
D
D
D
S
L
M
N
E
V
N
A
F
L
--
D
Q
A
K
K
E
G
L
L
Q
R
L
K
D
R
Y
Y
G
H
V
D
V
-
L
G
Y
V
G
A
Y
T
F
A
Q
--
H
L
Q
Q
R
L
P
R
--
Y
E
S
H
-
F
K
Q
S
G
K
Q
L
D
T
D
W
R
L
L
A
A
I
G
Y
Q
E
S
L
W
---------------------------
Q
P
G
A
T
---
S
K
-
T
G
V
R
G
L
MMLT
N
R
T
A
Q
A
M
G
V
S
N
R
L
D
P
K
Q
S
I
Q
G
G
S
--
K
Y
F
V
Q
I
-
R
S
E
L
P
E
S
I
K
E
P
D
R
S
W
F
-------
A
L
A
A
Y
N
I
G
-----
G
A
H
-----
L
E
-----
D
A
R
K
M
A
E
K
---
E
GLNPNK
W
L
D
V
K
K
M
L
P
R
L
A
Q
K
-
Q
W
Y
A
K
T
R
Y
GYAR
G
G
E
T
V
H
F
V
--
Q
N
V
R
---
R
Y
Y
D
I
L
T
W
V
T
Q
P
Q
----------------------------------------------------------------------------------------------------------------------------------------------------------
37
Fugue
61.34
19%
7
- C2 -
4IGL
5
?
A:
[7-1485]
EMA
I
T
T
L
S
L
PKGGG
A
I
N
G
MG
E
S
V
G
QAGPDG
M
V
T
F
S
I
P
LPFSAGRGVAPALSL
S
Y
S
SGAGNGPFGMG
W
Q
C
S
A
M
S
I
S
R
R
TQKGVPQYNED
D
E
F
L
S
PSG
E
V
M
A
IALNDSGFED
V
R
T
A
NRLQGIPLP
F
S
Y
K
V
T
R
Y
Q
P
RLIQDF
I
K
I
E
Y
W
Q
P
VKQTD
G
T
P
F
W
I
I
Y
S
PDG
Q
T
H
I
L
GKNSHSRVANAENPSQIASWLLE
E
T
V
T
PTG
E
H
I
Y
Y
Q
Y
S
G
E
N
QVNCT
D
A
E
I
A
L
H
PQDSAQRYLA
R
I
D
Y
GNISPQASLFVLDEELPNLTQWL
F
H
L
V
F
D
YGERDISIN
K
I
P
T
FEGGTT
G
W
L
A
R
PD
M
F
S
R
YDFG
I
E
I
R
N
R
R
LCH
Q
V
L
G
F
H
R
L
E
A
L
N
DRDVTD
E
I
P
V
L
V
N
R
L
T
L
D
Y
DLNNSVSTLV
A
V
R
Q
V
A
Y
E
TDG
S
P
I
T
Q
PPL
E
F
D
Y
QRFDTGSIP
G
W
Q
E
M
PQLEAFNGY
Q
P
Y
Q
MIDLYGEG
T
P
G
I
L
Y
Q
E
TPG
A
W
W
Y
K
S
PQRQIGGDSN
A
V
T
Y
G
A
M
K
A
L
P
KIPRLEG
A
T
L
M
D
I
NGDGRLD
W
V
I
T
S
A
G
VRGFHSIE
W
T
H
F
T
P
LNTLPTEYFHPKA
Q
L
A
D
L
VGAGLS
D
L
V
L
IGPK
S
V
R
L
Y
A
NQN
V
S
L
P
V
I
GSR
Q
L
V
A
F
A
DMLGSGQQ
H
L
V
E
I
T
AD
S
V
K
C
W
P
NMGHGRFG
Q
P
L
T
L
E
GFSQPQTSFNPDR
V
F
L
A
DIDGSG
T
N
D
I
I
Y
A
H
SE
C
L
E
I
Y
L
N
ESGNRFSK
P
I
S
L
L
L
P
DG
V
N
F
D
NT
C
Q
L
Q
A
A
DIQGLG
I
A
S
L
V
M
T
V
P
HMSPT
H
W
R
C
D
LALNKPWLLN
V
M
N
NNRG
A
E
T
C
L
F
Y
R
S
S
A
Q
F
W
L
D
E
K
Q
L
V
E
A
A
G
Q
Q
P
E
C
HLP
F
P
M
H
L
HW
R
S
E
I
F
D
EITG
N
R
L
T
Q
E
Q
E
Y
A
H
G
S
W
D
GQEREFRGFG
R
L
I
Q
R
D
T
D
G
F
AQGTVDIP
T
H
P
S
R
T
V
S
W
F
A
TGI
P
E
I
D
T
T
LSAEFWRGDDQAF
S
P
F
S
P
R
F
T
R
W
EDSEA
G
S
D
V
A
F
I
P
S
E
H
D
A
F
W
L
N
R
A
M
KGQLL
R
S
E
L
Y
G
DDGTPEAEIPY
S
V
T
E
M
R
H
Q
V
R
A
L
P
T
TDAT
V
P
S
A
W
C
S
TI
E
T
R
S
Y
Q
YQRVAA
D
P
Q
C
S
Q
Q
V
VIKADRYGSPL
L
S
V
A
I
N
Y
P
R
R
K
K
P
E
K
S
P
Y
P
D
D
L
P
E
T
L
F
D
S
S
Y
D
----------------
T
Q
Q
Q
Q
L
H
L
T
K
Q
Q
Q
N
Y
F
H
L
T
N
------------------
D
D
N
W
L
L
G
L
P
K
E
Q
R
N
D
G
Y
Q
Y
D
---
Q
E
-
R
A
P
A
N
G
F
T
L
E
T
L
I
-----------
A
S
N
S
L
I
--
G
S
N
Q
P
F
T
Y
L
G
Q
S
R
V
A
Y
Q
G
----
G
V
--
D
E
Q
P
S
L
Q
A
--
L
-
V
A
Y
G
E
T
A
I
----
L
D
E
K
T
L
Q
A
F
V
G
V
L
D
S
K
T
R
D
E
L
L
F
S
A
G
Y
Q
L
A
P
-----------
R
L
F
--
R
V
E
S
E
P
D
V
W
V
A
R
Q
G
Y
S
E
F
G
D
Y
S
Q
F
W
R
P
L
S
Q
R
S
T
L
L
T
G
K
T
T
L
K
--
W
D
K
H
Y
C
V
V
--
I
E
T
Q
D
A
A
Q
L
V
T
Q
A
R
Y
D
Y
R
F
L
T
P
Y
S
L
T
D
A
N
D
---------------------
N
Q
H
Y
V
V
L
-----------
N
P
F
G
E
-----
V
I
A
S
R
F
W
G
T
E
A
G
-----
K
D
A
G
---
Y
S
T
P
Q
A
-
K
P
--
F
V
V
P
A
T
I
E
A
A
L
A
LSPGIPV
A
H
C
A
I
F
E
P
-----
E
S
W
-----
M
Q
K
L
T
Q
H
D
V
S
E
R
M
A
D
---
N
----------
G
T
L
W
N
A
L
L
Q
A
-
R
F
V
T
E
D
G
Y
----
V
C
A
L
G
R
R
R
--
W
M
A
R
H
G
L
S
V
L
M
L
T
L
L
A
E
I
P
R
T
P
P
H
S
L
T
I
T
T
DRYDSDDQ
Q
Q
L
R
Q
R
I
L
F
S
D
GFGRLL
Q
S
A
Q
R
V
E
A
G
E
S
W
Q
R
S
EDSSLVVNVSG
T
P
A
L
V
V
T
DN
R
W
A
V
S
G
R
T
E
Y
D
GKGQGI
R
V
Y
Q
P
YFLDDWRYLS
D
D
S
A
R
T
D
L
F
A
D
T
H
I
Y
D
PLGREY
Q
V
I
T
AKG
Y
R
R
E
R
Q
Y
T
PW
F
V
V
N
Q
D
ENDTAAN
43
Fugue
58.54
18%
-36
* C7 *
2Y8P
-
EMTA_ECOLI
A:
[19-208]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
-
H
D
Y
T
N
P
P
W
N
A
K
--
V
P
V
Q
R
A
M
Q
--
W
M
P
I
-
S
Q
K
A
G
A
A
W
G
V
D
P
Q
L
I
T
A
I
I
A
I
E
S
G
G
NPNAVSKSNAIGLMQLKAST
S
G
R
D
V
Y
R
R
M
G
W
S
G
E
P
T
T
-
S
E
L
K
N
P
-----
E
R
N
I
S
M
G
A
A
Y
L
N
I
L
E
T
G
P
L
A
G
IED
P
K
V
L
Q
Y
-
A
L
--
V
V
S
Y
A
N
G
A
G
A
L
L
-------
R
--
T
F
S
S
D
-----
R
K
K
-----
A
I
-----
S
K
I
N
D
L
-
D
---
A
----------
D
E
F
L
E
H
V
A
R
N
H
P
A
P
Q
A
P
R
Y
----
I
Y
K
L
E
Q
A
L
--
D
A
M
L
---
E
H
H
H
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
35
Fugue
51.20
18%
7
- C5 -
4TXD
1
?
A:
[21-369]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
R
D
V
L
A
E
L
G
L
G
D
L
R
P
Y
L
R
S
I
G
D
-------
K
D
R
----------
I
F
P
K
A
H
R
I
E
V
V
F
L
V
R
A
A
N
Y
L
L
L
R
T
E
G
A
---
G
------------
T
I
N
----
M
T
T
L
E
Y
S
G
-
G
A
M
E
V
P
V
I
Q
-
P
Q
K
L
M
A
V
T
R
R
Q
M
L
Q
L
L
R
E
Y
R
D
S
LD
E
V
S
K
R
W
--
L
V
Q
E
V
I
-----
G
K
A
K
D
L
G
FKKV
S
E
E
W
N
C
T
I
Q
G
M
D
G
----
F
C
P
H
C
T
I
----
F
G
A
A
L
T
E
Q
H
N
E
K
F
G
G
L
--
S
I
G
I
K
T
R
V
R
F
D
P
A
F
A
T
Q
-------
R
R
I
--
T
P
E
T
H
N
--
K
V
T
E
G
H
L
S
M
T
G
Q
A
L
F
S
E
V
H
V
E
P
-
G
T
V
F
I
G
R
A
E
L
V
DL
T
E
P
E
L
V
A
T
--
L
Y
S
L
-
A
T
------------------
L
R
E
L
G
---------------------
G
R
S
G
I
Y
---
G
T
---
V
R
-
V
E
I
L
G
V
-----
K
A
G
-
K
Y
A
S
T
T
A
Y
D
L
A
A
E
N
A
G
----------------
K
G
Y
E
E
V
K
K
N
L
K
-------
E
R
L
E
K
L
G
F
-----
T
P
V
-----
D
N
-----
S
K
L
L
A
A
V
D
HKD
P
----------
N
G
L
F
K
D
L
W
R
S
-
S
I
D
F
A
E
K
M
----
V
K
W
V
E
E
L
K
--
G
G
------------------
G
---------------------------------------------------------------------------------------------------------------------------------------------------------
42
Fugue
44.53
11%
5
- C7 -
1B43
-
FEN_PYRFU
A:
[1-339]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
V
P
I
G
E
I
I
P
R
K
E
I
E
L
E
N
-----
L
Y
G
K
K
I
A
I
D
A
L
N
A
I
Y
Q
F
L
S
T
I
R
Q
K
D
G
T
P
L
---
M
------------
D
----
S
K
G
R
I
T
S
H
L
S
G
L
F
Y
R
T
I
N
L
M
-
E
A
G
I
K
P
V
Y
V
F
D
G
E
--
P
P
E
F
K
K
K
--
E
L
E
K
R
R
--
E
A
R
E
E
A
-----
E
---------------
E
K
W
R
E
A
L
E
K
G
E
I
E
E
A
R
K
Y
A
----
Q
R
A
T
R
V
N
E
M
L
I
E
D
A
K
K
L
L
E
L
M
G
I
P
I
V
Q
A
P
S
E
G
E
A
Q
A
A
Y
M
A
A
K
G
S
V
--
Y
A
S
A
S
Q
--
D
Y
D
S
L
L
F
--------
G
A
P
R
L
V
R
-
N
L
T
I
T
G
K
R
K
L
P
--
G
K
N
V
Y
V
E
I
K
P
E
L
I
I
-
L
E
E
V
L
K
E
L
K
L
T
R
E
K
L
I
E
L
A
I
L
V
----------------------------------
G
---
T
D
-
Y
N
P
G
G
I
-----
K
---
G
I
G
L
K
K
A
L
E
I
V
R
H
S
K
D
P
---
L
A
K
F
Q
K
-
Q
S
--
D
V
D
L
Y
A
I
K
E
F
F
L
-------
N
-----
P
P
-----
V
T
D
-----
N
Y
-----
N
L
V
W
R
D
P
D
---
E
----------
E
G
I
L
K
F
L
C
D
E
-
H
D
F
S
E
E
R
V
----
K
N
G
L
E
R
L
K
--
K
A
I
K
---
S
G
K
Q
S
T
L
E
S
W
F
K
R
----------------------------------------------------------------------------------------------------------------------------------------------------------
39
Fugue
42.71
10%
-3
- C6 -
1IB2
1
A:
[1-322]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
R
S
R
L
L
E
D
F
R
N
N
R
Y
P
N
L
Q
L
R
E
I
A
G
H
I
M
E
F
S
Q
D
Q
H
G
S
-----
R
F
I
Q
L
K
L
E
R
A
T
P
A
E
R
Q
L
V
F
N
E
I
L
Q
A
A
Y
Q
L
M
V
D
V
------------
F
G
N
Y
V
I
Q
K
F
F
E
F
G
S
L
E
Q
K
L
A
L
A
E
R
I
-
R
G
H
V
L
S
L
A
L
Q
M
Y
G
--
C
R
V
I
Q
K
A
--
L
E
F
I
P
S
--
D
Q
Q
N
E
M
-----
V
R
E
L
D
G
H
----
V
L
K
C
V
K
D
Q
--------------------
N
G
N
H
V
V
Q
K
C
I
E
C
V
Q
P
Q
S
L
Q
F
I
I
D
A
F
K
G
Q
V
F
A
L
S
T
----------------------------------
H
P
Y
G
C
R
V
I
Q
-
R
I
L
E
H
-----
C
--
L
P
D
Q
T
L
P
I
--
L
E
E
L
-
H
Q
H
T
E
Q
L
V
Q
D
Q
Y
G
N
Y
V
I
Q
H
V
L
E
H
G
R
---------------------
P
E
D
K
S
K
I
V
A
E
I
---
R
G
-
N
--------------------
V
L
V
L
S
Q
H
K
F
A
S
---
N
V
V
E
K
C
-
V
T
--
H
A
S
R
T
E
R
A
V
L
I
D
-------
E
V
C
T
M
N
D
G
-----
P
H
S
-----
A
L
-----
Y
T
M
M
K
D
Q
Y
---
A
----------
N
Y
V
V
Q
K
M
I
D
V
-
A
E
----------
P
G
Q
R
K
I
V
M
--
H
K
I
R
---
P
H
I
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
22
HHSearch
38.72
20%
-73
- C8 -
1QUS
-
MLTB_ECOLI
A:
[87-131]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
V
Q
--
N
G
V
V
F
W
N
Q
--
Y
E
D
A
-
L
N
R
A
W
Q
V
Y
G
V
P
P
E
I
I
V
G
I
I
G
V
E
T
R
W
---------------------
G
R
V
M
G
K
T
R
I
L
D
---
A
L
-
A
T
L
S
F
N
-----
Y
P
R
R
A
E
Y
F
S
G
E
L
E
T
F
L
L
M
A
R
D
---
E
Q
D
D
P
L
-
N
L
--
K
G
S
F
A
G
A
M
G
Y
G
Q
-------
F
M
P
S
S
Y
K
Q
-----
Y
A
V
-----
D
F
-----
S
G
D
G
H
I
N
L
---
W
----------
D
P
V
D
A
I
G
S
V
A
-
N
Y
F
K
A
H
G
W
----
V
K
G
D
Q
V
A
V
--
M
A
N
G
---
Q
A
P
G
L
P
N
G
F
K
T
K
Y
S
---------------------------------------------------------------------------------------------------------------------------------------------------------
23
HHSearch
34.41
15%
-48
- C8 -
3GXR
1
?
A:
[37-76]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
--
T
D
A
G
R
M
E
K
--
Y
K
S
F
-
I
N
N
V
A
K
K
H
V
V
D
P
A
V
I
A
A
I
I
S
R
E
S
R
A
---------------------
G
N
V
I
F
N
T
T
P
P
G
---
W
G
-
D
N
Y
N
G
F
-----
G
L
M
Q
V
D
K
R
Y
H
E
P
R
G
A
W
N
S
E
E
H
---
I
D
Q
A
T
G
-
I
L
--
V
N
F
I
Q
L
I
Q
K
K
F
P
-------
S
W
S
T
E
Q
Q
L
-----
K
G
A
-----
I
A
-----
A
Y
N
T
G
D
G
R
---
V
----------
E
S
Y
E
S
V
D
S
R
T
-
T
G
K
D
Y
S
N
D
----
V
V
A
R
A
Q
W
Y
--
K
K
N
G
---
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------
25
HHSearch
31.63
14%
-41
- C8 -
1GBS
-
LYG_CYGAT
A:
[39-81]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
--
R
D
L
K
A
M
D
R
--
Y
K
T
I
-
I
K
K
V
G
E
K
L
C
V
E
P
A
V
I
A
G
I
I
S
R
E
S
H
A
---------------------
G
K
V
L
K
N
G
W
G
D
R
---
G
N
-
G
F
G
L
M
Q
-----
V
D
K
R
S
H
K
P
Q
G
T
W
N
G
E
V
H
I
T
Q
G
---
T
T
I
L
T
D
-
F
I
--
K
R
I
Q
K
K
F
P
S
W
T
K
-------
D
Q
Q
L
K
G
G
I
-----
S
A
Y
-----
N
A
-----
G
A
G
N
V
R
S
Y
---
A
----------
R
M
D
I
G
T
T
H
D
D
-
Y
A
N
D
V
V
A
R
----
A
Q
Y
Y
K
Q
H
G
--
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
18
PsiBlast_CBE
29.58
35%
-6
- C8 -
3HND
3
RIR1_HUMAN
B:
[219-283]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
L
L
S
M
K
D
D
S
I
E
G
I
Y
D
T
L
K
Q
C
A
L
I
S
K
S
A
G
G
I
G
V
A
V
S
C
--
I
R
A
T
G
S
Y
--
I
A
G
T
N
G
NS
N
G
L
V
P
M
-----
L
R
V
Y
N
N
T
----
A
R
Y
V
D
Q
G
G
N
K
R
P
G
A
F
-
A
I
Y
L
E
P
W
H
----
L
D
I
F
E
F
L
D
L
K
K
N
T
G
K
E
E
Q
R
A
R
D
L
F
F
A
L
W
I
P
D
L
F
M
K
R
V
E
T
N
Q
D
W
S
L
--
M
C
P
N
E
C
--
P
G
L
D
E
V
W
G
E
E
F
E
K
L
Y
A
S
Y
E
K
Q
G
-
R
V
R
K
V
V
K
A
Q
Q
L
--
W
Y
A
I
I
E
S
Q
--
T
E
T
G
-
T
P
Y
M
L
Y
K
D
S
C
N
R
K
S
N
Q
Q
N
L
G
T
I
K
C
S
---------------------
N
L
C
T
E
I
V
E
Y
T
S
---
K
D
-
E
V
A
V
C
N
-----
L
A
S
L
A
L
N
M
Y
V
T
S
E
H
T
Y
D
F
K
K
L
---
A
E
V
T
K
V
-
V
V
--
R
N
L
N
K
I
I
D
I
N
Y
Y
-------
P
V
P
E
A
C
L
S
-----
N
K
R
-----
H
R
-----
P
I
G
I
G
V
Q
G
---
L
----------
A
D
A
F
I
L
M
R
Y
P
-
F
E
S
A
E
A
Q
L
----
L
N
K
Q
I
F
E
T
--
I
Y
Y
G
---
A
L
E
A
S
C
D
L
A
K
E
Q
G
P
---------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
29.22
39%
25
- C8 -
4Q2W
3
A:
[176-214]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
E
A
E
E
H
Y
H
I
N
A
L
Y
L
L
A
H
S
A
L
E
S
N
W
---------------------
G
R
S
K
I
A
K
D
-------
K
-
N
N
F
F
G
I
-----
T
T
F
D
D
V
D
K
G
I
L
G
A
T
K
W
I
K
E
N
Y
---
I
D
R
G
R
T
-
F
L
--
G
N
K
A
S
G
M
N
V
E
Y
A
-------
S
D
P
Y
W
G
E
K
-----
I
A
S
-----
V
M
-----
M
K
I
N
E
K
L
G
---
G
----------
K
D
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
28.90
34%
54
- C8 -
4NNZ
-
?
A:
[315-376]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
T
P
N
V
Q
K
G
K
T
-
L
E
Q
V
E
A
G
L
W
K
Q
L
D
D
L
K
Q
-
N
P
P
S
A
A
E
I
E
R
V
R
A
Q
M
I
A
G
M
V
Y
E
K
D
S
I
A
A
Q
A
S
S
I
G
Q
L
E
S
V
--
G
L
S
W
K
L
--
I
D
Q
D
L
E
A
L
K
A
V
T
P
D
D
I
Q
K
A
A
R
T
-
Y
F
T
P
S
R
L
T
L
A
Q
--
V
L
P
V
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
28.83
35%
-11
- C8 -
3HND
3
RIR1_HUMAN
A:
[219-283]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
L
L
S
M
K
D
D
S
I
E
G
I
Y
D
T
L
K
Q
C
A
L
I
S
K
S
A
G
G
I
G
V
A
V
S
C
--
I
R
A
T
G
S
Y
--
I
A
G
T
N
G
NS
N
G
L
V
P
M
-----
L
R
V
Y
N
N
T
----
A
R
Y
V
D
Q
G
G
N
K
R
P
G
A
F
-
A
I
Y
L
E
P
W
H
----
L
D
I
F
E
F
L
D
L
K
K
N
T
G
K
E
E
Q
R
A
R
D
L
F
F
A
L
W
I
P
D
L
F
M
K
R
V
E
T
N
Q
D
W
S
L
--
M
C
P
N
E
C
--
P
G
L
D
E
V
W
G
E
E
F
E
K
L
Y
A
S
Y
E
K
Q
G
-
R
V
R
K
V
V
K
A
Q
Q
L
--
W
Y
A
I
I
E
S
Q
--
T
E
T
G
-
T
P
Y
M
L
Y
K
D
S
C
N
R
K
S
N
Q
Q
N
L
G
T
I
K
C
S
---------------------
N
L
C
T
E
I
V
E
Y
T
S
---
K
D
-
E
V
A
V
C
N
-----
L
A
S
L
A
L
N
M
Y
V
T
S
E
H
T
Y
D
F
K
K
L
---
A
E
V
T
K
V
-
V
V
--
R
N
L
N
K
I
I
D
I
N
Y
Y
-------
P
V
P
E
A
C
L
S
-----
N
K
R
-----
H
R
-----
P
I
G
I
G
V
Q
G
---
L
----------
A
D
A
F
I
L
M
R
Y
P
-
F
E
S
A
E
A
Q
L
----
L
N
K
Q
I
F
E
T
--
I
Y
Y
G
---
A
L
E
A
S
C
D
L
A
K
E
Q
G
P
---------------------------------------------------------------------------------------------------------------------------------------------------------
28
HHSearch
28.74
16%
-50
- C8 -
1QSA
3
SLT_ECOLI
A:
[449-486]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
P
L
A
--
Y
N
D
L
-
F
K
R
Y
T
S
G
K
E
I
P
Q
S
Y
A
M
A
I
A
R
Q
E
S
A
W
---------------------
N
P
K
V
K
S
P
V
G
A
S
---
G
L
-
M
Q
I
M
P
G
-----
T
A
T
H
T
V
K
M
F
S
I
P
G
Y
S
S
P
G
Q
L
L
---
D
P
E
T
N
I
-
N
I
--
G
T
S
Y
L
Q
Y
V
Y
Q
Q
F
-------
G
N
N
R
I
F
S
S
-----
A
A
Y
-----
N
A
-----
G
P
G
R
V
R
T
W
---
L
----------
G
N
S
A
G
R
I
D
A
V
-
A
F
V
E
S
I
P
F
----
S
E
T
R
G
Y
V
K
--
N
V
L
A
---
Y
D
A
Y
Y
R
Y
F
M
G
D
K
P
T
---------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
27.51
35%
-10
- C8 -
3HNC
3
RIR1_HUMAN
A:
[219-283]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
L
L
S
M
K
D
D
S
I
E
G
I
Y
D
T
L
K
Q
C
A
L
I
S
K
S
A
G
G
I
G
V
A
V
S
C
--
I
R
A
T
G
S
Y
--
I
A
G
T
N
G
NS
N
G
L
V
P
M
-----
L
R
V
Y
N
N
T
----
A
R
Y
V
D
Q
G
A
F
A
I
Y
L
E
P
-
W
H
L
D
I
F
E
F
----
L
D
L
K
K
R
D
L
F
F
A
L
W
I
P
D
L
F
M
K
R
V
E
T
N
Q
D
W
S
L
M
C
P
N
E
C
P
G
L
D
E
V
W
G
E
--
E
F
E
K
L
Y
--
A
S
Y
E
K
Q
G
R
V
R
K
V
V
K
A
Q
Q
L
W
Y
A
I
-
I
E
S
Q
T
E
T
G
T
P
Y
--
M
L
Y
K
D
S
C
N
--
R
K
S
N
-
Q
Q
N
L
G
T
I
K
C
S
N
L
C
T
E
I
V
E
Y
T
S
K
D
E
V
---------------------
A
V
C
N
L
A
S
L
A
L
N
---
M
Y
-
V
T
S
E
H
T
-----
Y
D
F
K
K
L
A
E
V
T
K
V
V
V
R
N
L
N
K
I
I
---
D
I
N
Y
Y
P
-
V
P
--
E
A
C
L
S
N
K
R
H
R
P
I
-------
G
I
G
V
Q
G
L
A
-----
D
A
F
-----
I
L
-----
M
R
Y
P
F
E
S
A
---
E
----------
A
Q
L
L
N
K
Q
I
F
E
-
T
I
Y
Y
G
A
L
E
----
A
S
C
D
L
A
K
E
--
Q
G
P
Y
---
E
T
Y
E
G
S
P
V
S
K
G
I
L
Q
---------------------------------------------------------------------------------------------------------------------------------------------------------