@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 : Wbm0361: (2015-11-30 )
MKLNEIRERFIKFFVRNNHKQVFSSPLIPEHDPTLMFTNAGMVQFKNIFTGIQKTDIKRAVSSQKCLRVGGKHNDLENVGYTTRHHTFFEMLGNFSFGDYFKETAIEFAWKFITEELSLDKNRLSITIYHTDDKSYEIWRKVSGFSNDKIIRIATDDNFWSMGNIGPCGPCSEIFYDYAKPNLQNDDRIVEIWNLVFMEFNKDEEGNLQKLPKKCIDTGMGLERVAAVMQNVYDNYDIDLFSALISKSQEYCGNVENKAAHKIIADHLRAAAFLIAEGVLPGNEGRNYILRRLIRRAVRYIHQLGYNDPLLHRIFPVLIDSTSSAYMGGVYPELIRAKSLIETTLKSEEENFKDTLIKGINLLKKFTTDLKPGDTLSGESAFKLYDTYGFPLDITLDILKERKINFDQKGFDNAMEEQKERARAKWTGSGEKSIEQIWFNLIDKFGKTEFVGYEFSEVKDAKVLVILSSKNEVIDSAKEGEKITIILDKTPFYGESGGQVGDTGSFIIPSITPVLDTKIQKKNDRSCDRITEGIAIVENTNKVNDLYLHRCIVKSGSICKDDIVTASTDKERRQNLRRNHSATHLLHFALRKILGDHVTQKGSLIAPDRLRFDFSHNTQVTRDQLSLIEDMVNSLIRENLSAFTKIQSMNQAIGEGAMALFGKKYGDQVRVVNIGDSKELCGGTHVERTGEIGLFKIITECSIASGVRRIEALTGQEAIDYARDNEINLRKIAELVKAPVNEITSRLSILNQERKESETKIKSLYKKLVSAENIKSIEINGMNFVSHSFTDIPANIVREFTLQQQKPKTVIAFTAMEKNKTVLIVKVSKDLVDKISTKELVSTVTGGVCGENAELTQTGCDSSDIFTAIYSYLTR
Atome Classification :
(24 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.......820.......830.......840---.......850.......860..----.....870...
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
M
K
L
N
E
I
R
E
R
F
I
K
F
F
V
RNN
H
K
Q
V
FSSPLIPEHDP
T
L
M
F
TNA
G
M
V
Q
F
K
N
I
F
TG-
I
Q
K
T
D
I
K
R
A
V
S
S
Q
K
C
L
R
VGGKHND
L
E
NVGYT
T
R
H
H
T
F
F
E
M
LGNFS
F
G
D
-----
Y
F
K
E
T
A
I
E
F
A
W
K
F
I
T
E
--
E
--LSLDK
N
R
L
S
I
T
I
Y
HTDDK
S
Y
E
I
W
R
K
VSGFSN
D
K
I
I
R
I
A-------TDDNFWSMGNIGPCG
P
C
S
E
I
F
Y
D
Y---------AKPN-------LQND
D
-
R
I
V
E
I
W
N
L
V
F
MEFNKDEEG-------
N
L
Q
K
L
P
K
K
C
I
DTGM
G
L
E
R
V
A
A
V
M
Q
N
V
YDNY
D
I
D
L
F
S
A
L
I
S
K
S
Q
E
Y
CG-----NV----------------------------------------------------E
N
K
A
A
H
K
I
I
A
D
H
L
R
A
A
A
F
L
I
A
EGVLPGNE
G
R
N
Y
I
L
R
R
L
I
R
R
A
V
R
Y
I
H
QLGYND
P
L
L
H
R
I
F
P
V
LIDSTSSAYMG
G
V
Y
P
E
L
I
R
A
K
S
L
I
E
T
T
L
KS
E
E
E
N
F
K
D
T
L
I
K
G
I
N
L
L
K
K
F
TTD-LK--PG-DTLSGE
S
A
F
K
L
Y
DTYGFP
L
D
I
T
L
D
I
L
K
E
RKINFDQK--G-
F
D
N
A
M
E
E
Q
K
E
R
A
RAKWTGSG
E
K
S
I
E
Q
I
W
F
N
L
I
D
KFGK
T
E
-FVGYEFSE---VKD
A
K
V
L
V
I
LSSK
N
E
V
I
DSAKEG
E
K
I
T
I
I
L
DKTPFYGESGGQVGDTG
S
F
I
IPSIT
P
V
LDTKIQKKNDR
S
C
D
R
I
TE
G
I
A
I
VENTNK
V
N
D
L
Y
L
H
R
C
I
VKSGSICKDDIVTAST
D
K
E
R
R
Q
N
L
R
RNH
S
A
T
H
L
L
H
F
A
L
R
K
I
L
G
D
H
VTQKGSLIAP
D
R
L
R
F
DFSHNTQV
T
R
D
Q
L
S
L
I
E
D
M
V
N
S
L
I
R
E
N
L
S
A
F
T
K
I
Q
S
M
N
Q
A
I
G
E
G
A
M
-
A
L
F
G
KK-YG
D
Q
V
R
V
V
NIGD
S
K
E
LCGGTHVERTGEI
G
L
F
K
I
I
T
E
C
S
I
A
S
G
V
R
R
I
E
A
LTG
Q
E
A
IDYARDNEI
N
L
R
K
I
A
E
L
V
K
A
P
V
N
E
I
T
S
-
R
L
S
I
L
N
Q
E
R
K
E
S
E
T
K
I
K
S
L
Y
K
K
L
VSAEN
I
K
----
S
I
E
IN
G
M
N
F
VSHSFTDI
P
A
N
I
V
R
E
F
T
L
-QQQKP
K
T
V
I
A
F
T
AMEKN
K
T
V
L
I
V
KV
S
K
D
L
V
D
K
I
S
T
K
E
L
V
S
---
T
V
TGGVCGENA
E
L
TQTGCD
S
S
D
----
I
F
T
A
I
Y
S
Y
LTR
32
HHSearch
91.46
54%
-91
- C1 -
3HY0
4
SYA_ECOLI
A:
[2-439]
K
S
T
A
E
I
R
Q
A
F
L
D
F
F
H
S
K
G
H
Q
V
V
A
S
S
S
L
V
P
H
N
D
P
T
L
L
F
T
N
A
G
M
N
Q
F
K
D
V
F
L
G
-
L
D
K
R
N
Y
S
R
A
T
T
S
Q
R
C
V
R
A
G
G
K
H
N
D
L
E
N
V
G
Y
T
A
R
H
H
T
F
F
E
M
L
G
N
F
S
F
G
D
-----
Y
F
K
L
D
A
I
L
F
A
W
L
L
L
T
S
EK
W
--
F
A
L
P
K
E
R
L
W
V
T
V
Y
E
S
D
D
E
A
Y
E
I
W
E
K
E
V
G
I
P
R
E
R
I
I
R
I
G
DNKGAPY
A
S
D
N
F
W
Q
M
G
D
T
G
P
C
G
P
C
T
E
I
F
Y
D
H
---------
G
D
H
I
W
G
G
P
P
GS
P
E
E
D
G
D
R
Y
I
E
I
W
N
I
V
F
M
Q
F
N
R
Q
A
D
G
-------
T
M
E
P
L
P
K
P
S
V
D
T
A
M
G
L
E
R
I
A
A
V
L
Q
H
V
N
S
N
Y
D
I
D
L
F
R
T
L
I
Q
A
V
A
K
V
T
G
-----
A
T
D---------------------------------------------------
L
S
N
K
S
L
R
V
I
A
D
H
I
R
S
C
A
F
L
I
A
D
G
V
M
P
S
N
E
N
R
G
Y
V
L
R
R
I
I
R
R
A
V
R
H
G
N
M
L
G
A
K
E
T
F
F
Y
K
L
V
G
P
L
I
D
-----
V
M
G
S
A
G
E
D
L
K
R
Q
Q
A
Q
V
E
Q
V
L
K
T
E
E
E
Q
F
A
R
T
L
E
R
G
L
A
L
L
D
E
E
L
A
K
-
L
---
S
G
-
D
T
L
D
G
E
T
A
F
R
L
Y
D
T
Y
G
F
P
V
D
L
T
A
D
V
C
R
E
R
N
I
K
V
D
E
A
--
G
-
F
E
A
A
M
E
E
Q
R
R
R
A
R
E
A
S
G
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
90.96
52%
-95
- C1 -
3HXU
5
SYA_ECOLI
A:
[6-436]
----
E
I
R
Q
A
F
L
D
F
F
H
S
K
G
H
Q
V
V
A
S
S
S
L
V
P
H
N
D
P
T
L
L
F
T
N
A
G
M
N
Q
F
K
D
V
F
L
G
-
L
D
K
R
N
Y
S
R
A
T
T
S
Q
R
C
V
R
A
G
G
K
H
N
D
L
E
N
V
G
Y
T
A
R
H
H
T
F
F
E
M
L
G
N
F
S
F
G
D
-----
Y
F
K
L
D
A
I
L
F
A
W
L
L
L
T
S
--
E
KW
F
A
L
P
K
E
R
L
W
V
T
V
Y
E
S
D
D
E
A
Y
E
I
W
E
K
E
V
G
I
P
R
E
R
I
I
R
I
G
DNKGAPY
A
S
D
N
F
W
Q
M
G
D
T
G
P
C
G
P
C
T
E
I
F
Y
D
H
GDH
I
W
G
G
P
P
G
S
P
E
--------
E
D
G
D
-
R
Y
I
E
I
W
N
I
V
F
M
Q
F
N
R
Q
A
D
G
-------
T
M
E
P
L
P
K
P
S
V
D
T
G
M
G
L
E
R
I
A
A
V
L
Q
H
V
N
S
N
Y
D
I
D
L
F
R
T
L
I
Q
A
V
A
K
V
T
G
AT---
D
L
----------------------------------------------------
S
N
K
S
L
-
R
V
I
A
D
H
I
R
S
C
A
F
L
I
A
D
G
V
M
P
S
N
E
N
R
G
Y
V
L
R
R
I
I
R
R
A
V
R
H
G
N
M
L
G
A
K
E
T
F
F
Y
K
L
V
G
P
L
I
D
-----
V
M
G
S
A
G
E
D
L
K
R
Q
Q
A
Q
V
E
Q
V
L
K
T
E
E
E
Q
F
A
R
T
L
E
R
G
L
A
L
L
D
E
E
L
A
K
-
L
S
---
G
-
D
T
L
D
G
E
T
A
F
R
L
Y
D
T
Y
G
F
P
V
D
L
T
A
D
V
C
R
E
R
N
I
K
V
D
E
A
--
G
-
F
E
A
A
M
E
E
Q
R
R
R
A
R
E
A
S
G
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
28
HHSearch
90.90
25%
-75
* C1 *
3WQY
1
SYA_ARCFU
A:
[60-902]
F
E
L
D
E
M
R
E
Y
Y
L
N
F
F
E
R
R
G
H
G
R
I
E
R
Y
P
V
V
A
R
W
R
T
D
I
Y
L
T
I
A
S
I
A
D
F
Q
P
F
V
T
S
G
V
A
P
P
P
A
N
P
L
T
I
S
Q
P
C
I
R
L
----
D
D
L
D
S
V
G
R
T
G
R
H
L
T
L
F
E
M
M
A
H
H
A
F
N
Y
PGKEI
Y
W
K
N
E
T
V
A
Y
C
T
E
L
L
N
---
E
--
L
G
V
K
K
E
D
I
--------------------------
V
Y
----------
K
E
E
P
W
A
G
G
--
G
N
A
G
P
C
L
E
A
I
V
----------------------------
G
G
L
E
V
A
T
L
V
F
M
N
L
E
E
H
P
E
G
DIEIKG
A
R
Y
R
K
M
D
N
Y
I
V
D
T
G
Y
G
L
E
R
F
V
W
A
S
K
G
T
P
T
V
Y
D
A
-
I
F
P
E
V
V
D
T
I
I
D
N
S
N
-----
V
S
FNRED
E
R
V
R
R
I
V
A
E
S
S
K
L
A
G
I
M
G
E
L
RG
E
R
L
N
Q
L
R
K
S
V
A
D
T
V
GVS
V
E
E
L
E
G
I
V
V
P
L
E
K
V
Y
S
L
A
D
H
T
R
C
I
L
F
M
L
G
D
G
L
V
P
S
N
A
G
A
G
Y
L
A
R
L
M
I
R
R
S
L
R
L
A
E
E
L
E
L
G
L
-
D
L
Y
D
L
V
E
M
H
K
K
-----
I
L
G
F
---
E
F
D
V
P
L
S
T
V
Q
E
I
L
E
L
E
K
E
R
Y
R
T
T
V
S
K
G
T
R
L
V
E
R
L
V
E
R
------
K
-
K
K
L
E
K
D
D
L
I
E
L
Y
D
S
H
G
I
P
V
E
L
A
V
G
I
A
A
E
K
G
A
E
V
E
M
P
K
D
I
-
Y
A
E
L
A
K
R
H
S
K
A
E
K
V
-
Q
E
K
K
I
---------
T
L
Q
N
E
Y
P
A
T
E
-
K
L
Y
Y
D
D
P
T
LL
E
F
E
A
E
V
I
--
G
V
E
-------------
G
D
F
V
I
L
N
R
S
A
F
Y
P
E
S
G
G
Q
D
N
D
V
G
Y
L
I
A
N
G
----------------------
G
K
F
E
V
V
D
V
L
E
A
D
G
V
V
L
H
V
V
K
G
--
A
K
P
E
V
G
T
K
V
K
G
V
I
D
S
D
V
R
W
R
H
M
R
H
H
S
A
T
H
V
L
L
Y
S
L
Q
K
V
L
G
N
H
V
W
Q
A
G
A
R
K
E
F
S
K
A
R
L
D
V
T
H
F
R
R
P
S
E
E
E
I
K
E
I
E
M
L
A
N
R
E
I
L
A
N
K
P
I
K
W
E
W
M
D
R
I
E
A
E
R
K
F
G
F
R
L
Y
Q
G
G
V
P
P
G
R
K
I
R
V
V
Q
V
G
D
D
V
Q
A
C
G
G
T
H
C
R
S
T
G
E
I
G
M
L
K
I
L
K
V
E
S
I
Q
D
G
V
I
R
F
E
F
A
A
G
E
A
A
I
E
A
V
E
E
M
E
R
L
L
R
E
A
S
S
I
L
R
V
E
P
A
-
K
L
P
K
T
V
E
R
F
F
E
E
W
K
D
Q
R
K
E
I
E
R
L
K
S
V
I
A
D
L
W
A
D
I
L
M
E
R
A
E
E
F
D
S
M
K
V
V
A
E
V
V
D
-
A
D
M
Q
A
L
Q
K
L
A
E
R
L
A
E
K
G
A
-
V
G
C
L
M
A
K
G
E
G
K
V
F
V
V
T
F
-
S
G
---
Q
K
Y
D
A
R
E
L
L
R
E
I
G
R
V
A
K
G
S
G
G
G
R
K
D
V
A
Q
G
A
V
Q
Q
L
L
D
R
E
E
M
L
D
V
I
F
R
F
L
S
E
6
PsiBlast_PDB
90.45
52%
-94
- C1 -
3HXZ
6
SYA_ECOLI
A:
[6-436]
----
E
I
R
Q
A
F
L
D
F
F
H
S
K
G
H
Q
V
V
A
S
S
S
L
V
P
H
N
D
P
T
L
L
F
T
N
A
G
M
N
Q
F
K
D
V
F
L
G
-
L
D
K
R
N
Y
S
R
A
T
T
S
Q
R
C
V
R
A
G
G
K
H
N
D
L
E
N
V
G
Y
T
A
R
H
H
T
F
F
E
M
L
G
N
F
S
F
G
D
-----
Y
F
K
L
D
A
I
L
F
A
W
L
L
L
T
S
--
E
KW
F
A
L
P
K
E
R
L
W
V
T
V
Y
E
S
D
D
E
A
Y
E
I
W
E
K
E
V
G
I
P
R
E
R
I
I
R
I
G
DNKGAPY
A
S
D
N
F
W
Q
M
G
D
T
G
P
C
G
P
C
T
E
I
F
Y
D
H
GDH
I
W
G
G
P
P
G
S
P
E
--------
E
D
G
D
-
R
Y
I
E
I
W
N
I
V
F
M
Q
F
N
R
Q
A
D
G
-------
T
M
E
P
L
P
K
P
S
V
D
T
A
M
G
L
E
R
I
A
A
V
L
Q
H
V
N
S
N
Y
D
I
D
L
F
R
T
L
I
Q
A
V
A
K
V
T
G
AT---
D
L
----------------------------------------------------
S
N
K
S
L
-
R
V
I
A
D
H
I
R
S
C
A
F
L
I
A
D
G
V
M
P
S
N
E
N
R
G
Y
V
L
R
R
I
I
R
R
A
V
R
H
G
N
M
L
G
A
K
E
T
F
F
Y
K
L
V
G
P
L
I
D
-----
V
M
G
S
A
G
E
D
L
K
R
Q
Q
A
Q
V
E
Q
V
L
K
T
E
E
E
Q
F
A
R
T
L
E
R
G
L
A
L
L
D
E
E
L
A
K
-
L
S
---
G
-
D
T
L
D
G
E
T
A
F
R
L
Y
D
T
Y
G
F
P
V
D
L
T
A
D
V
C
R
E
R
N
I
K
V
D
E
A
--
G
-
F
E
A
A
M
E
E
Q
R
R
R
A
R
E
A
S
G
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
22
PsiBlast_CBE
90.44
52%
-95
- C1 -
3HY0
4
SYA_ECOLI
B:
[6-436]
----
E
I
R
Q
A
F
L
D
F
F
H
S
K
G
H
Q
V
V
A
S
S
S
L
V
P
H
N
D
P
T
L
L
F
T
N
A
G
M
N
Q
F
K
D
V
F
L
G
-
L
D
K
R
N
Y
S
R
A
T
T
S
Q
R
C
V
R
A
G
G
K
H
N
D
L
E
N
V
G
Y
T
A
R
H
H
T
F
F
E
M
L
G
N
F
S
F
G
D
-----
Y
F
K
L
D
A
I
L
F
A
W
L
L
L
T
S
--
E
KW
F
A
L
P
K
E
R
L
W
V
T
V
Y
E
S
D
D
E
A
Y
E
I
W
E
K
E
V
G
I
P
R
E
R
I
I
R
I
G
DNKGAPY
A
S
D
N
F
W
Q
M
G
D
T
G
P
C
G
P
C
T
E
I
F
Y
D
H
GDHIWGGPP
G
S
P
E
--------
E
D
G
D
-
R
Y
I
E
I
W
N
I
V
F
M
Q
F
N
R
Q
A
D
G
-------
T
M
E
P
L
P
K
P
S
V
D
T
A
M
G
L
E
R
I
A
A
V
L
Q
H
V
N
S
N
Y
D
I
D
L
F
R
T
L
I
Q
A
V
A
K
V
T
G
AT---
D
L
----------------------------------------------------
S
N
K
S
L
-
R
V
I
A
D
H
I
R
S
C
A
F
L
I
A
D
G
V
M
P
S
N
E
N
R
G
Y
V
L
R
R
I
I
R
R
A
V
R
H
G
N
M
L
G
A
K
E
T
F
F
Y
K
L
V
G
P
L
I
D
-----
V
M
G
S
A
G
E
D
L
K
R
Q
Q
A
Q
V
E
Q
V
L
K
T
E
E
E
Q
F
A
R
T
L
E
R
G
L
A
L
L
D
E
E
L
A
K
-
L
S
---
G
-
D
T
L
D
G
E
T
A
F
R
L
Y
D
T
Y
G
F
P
V
D
L
T
A
D
V
C
R
E
R
N
I
K
V
D
E
A
--
G
-
F
E
A
A
M
E
E
Q
R
R
R
A
R
E
A
S
G
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
90.30
52%
-96
- C1 -
3HY0
4
SYA_ECOLI
A:
[6-436]
----
E
I
R
Q
A
F
L
D
F
F
H
S
K
G
H
Q
V
V
A
S
S
S
L
V
P
H
N
D
P
T
L
L
F
T
N
A
G
M
N
Q
F
K
D
V
F
L
G
-
L
D
K
R
N
Y
S
R
A
T
T
S
Q
R
C
V
R
A
G
G
K
H
N
D
L
E
N
V
G
Y
T
A
R
H
H
T
F
F
E
M
L
G
N
F
S
F
G
D
-----
Y
F
K
L
D
A
I
L
F
A
W
L
L
L
T
S
--
E
KW
F
A
L
P
K
E
R
L
W
V
T
V
Y
E
S
D
D
E
A
Y
E
I
W
E
K
E
V
G
I
P
R
E
R
I
I
R
I
G
DNKGAPY
A
S
D
N
F
W
Q
M
G
D
T
G
P
C
G
P
C
T
E
I
F
Y
D
H
GDH
I
W
G
G
P
P
G
S
P
E
--------
E
D
G
D
-
R
Y
I
E
I
W
N
I
V
F
M
Q
F
N
R
Q
A
D
G
-------
T
M
E
P
L
P
K
P
S
V
D
T
A
M
G
L
E
R
I
A
A
V
L
Q
H
V
N
S
N
Y
D
I
D
L
F
R
T
L
I
Q
A
V
A
K
V
T
G
AT---
D
L
----------------------------------------------------
S
N
K
S
L
-
R
V
I
A
D
H
I
R
S
C
A
F
L
I
A
D
G
V
M
P
S
N
E
N
R
G
Y
V
L
R
R
I
I
R
R
A
V
R
H
G
N
M
L
G
A
K
E
T
F
F
Y
K
L
V
G
P
L
I
D
-----
V
M
G
S
A
G
E
D
L
K
R
Q
Q
A
Q
V
E
Q
V
L
K
T
E
E
E
Q
F
A
R
T
L
E
R
G
L
A
L
L
D
E
E
L
A
K
-
L
S
---
G
-
D
T
L
D
G
E
T
A
F
R
L
Y
D
T
Y
G
F
P
V
D
L
T
A
D
V
C
R
E
R
N
I
K
V
D
E
A
--
G
-
F
E
A
A
M
E
E
Q
R
R
R
A
R
E
A
S
G
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
90.26
52%
-95
- C1 -
3HXV
6
SYA_ECOLI
A:
[6-436]
----
E
I
R
Q
A
F
L
D
F
F
H
S
K
G
H
Q
V
V
A
S
S
S
L
V
P
H
N
D
P
T
L
L
F
T
N
A
G
M
N
Q
F
K
D
V
F
L
G
-
L
D
K
R
N
Y
S
R
A
T
T
S
Q
R
C
V
R
A
G
G
K
H
N
D
L
E
N
V
G
Y
T
A
R
H
H
T
F
F
E
M
L
G
N
F
S
F
G
D
-----
Y
F
K
L
D
A
I
L
F
A
W
L
L
L
T
S
--
E
KW
F
A
L
P
K
E
R
L
W
V
T
V
Y
E
S
D
D
E
A
Y
E
I
W
E
K
E
V
G
I
P
R
E
R
I
I
R
I
G
DNKGAPY
A
S
D
N
F
W
Q
M
G
D
T
G
P
C
G
P
C
T
E
I
F
Y
D
H
GDH
I
W
G
G
P
P
G
S
P
E
--------
E
D
G
D
-
R
Y
I
E
I
W
N
I
V
F
M
Q
F
N
R
Q
A
D
G
-------
T
M
E
P
L
P
K
P
S
V
D
T
G
M
G
L
E
R
I
A
A
V
L
Q
H
V
N
S
N
Y
D
I
D
L
F
R
T
L
I
Q
A
V
A
K
V
T
G
AT---
D
L
----------------------------------------------------
S
N
K
S
L
-
R
V
I
A
D
H
I
R
S
C
A
F
L
I
A
D
G
V
M
P
S
N
E
N
R
G
Y
V
L
R
R
I
I
R
R
A
V
R
H
G
N
M
L
G
A
K
E
T
F
F
Y
K
L
V
G
P
L
I
D
-----
V
M
G
S
A
G
E
D
L
K
R
Q
Q
A
Q
V
E
Q
V
L
K
T
E
E
E
Q
F
A
R
T
L
E
R
G
L
A
L
L
D
E
E
L
A
K
-
L
S
---
G
-
D
T
L
D
G
E
T
A
F
R
L
Y
D
T
Y
G
F
P
V
D
L
T
A
D
V
C
R
E
R
N
I
K
V
D
E
A
--
G
-
F
E
A
A
M
E
E
Q
R
R
R
A
R
E
A
S
G
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
90.16
52%
-95
- C1 -
3HXW
5
SYA_ECOLI
A:
[6-436]
----
E
I
R
Q
A
F
L
D
F
F
H
S
K
G
H
Q
V
V
A
S
S
S
L
V
P
H
N
D
P
T
L
L
F
T
N
A
G
M
N
Q
F
K
D
V
F
L
G
-
L
D
K
R
N
Y
S
R
A
T
T
S
Q
R
C
V
R
A
G
G
K
H
N
D
L
E
N
V
G
Y
T
A
R
H
H
T
F
F
E
M
L
G
N
F
S
F
G
D
-----
Y
F
K
L
D
A
I
L
F
A
W
L
L
L
T
S
--
E
KW
F
A
L
P
K
E
R
L
W
V
T
V
Y
E
S
D
D
E
A
Y
E
I
W
E
K
E
V
G
I
P
R
E
R
I
I
R
I
G
DNKGAPY
A
S
D
N
F
W
Q
M
G
D
T
G
P
C
G
P
C
T
E
I
F
Y
D
H
GDH
I
W
G
G
P
P
G
S
P
E
--------
E
D
G
D
-
R
Y
I
E
I
W
N
I
V
F
M
Q
F
N
R
Q
A
D
G
-------
T
M
E
P
L
P
K
P
S
V
D
T
G
M
G
L
E
R
I
A
A
V
L
Q
H
V
N
S
N
Y
D
I
D
L
F
R
T
L
I
Q
A
V
A
K
V
T
G
AT---
D
L
----------------------------------------------------
S
N
K
S
L
-
R
V
I
A
D
H
I
R
S
C
A
F
L
I
A
D
G
V
M
P
S
N
E
N
R
G
Y
V
L
R
R
I
I
R
R
A
V
R
H
G
N
M
L
G
A
K
E
T
F
F
Y
K
L
V
G
P
L
I
D
-----
V
M
G
S
A
G
E
D
L
K
R
Q
Q
A
Q
V
E
Q
V
L
K
T
E
E
E
Q
F
A
R
T
L
E
R
G
L
A
L
L
D
E
E
L
A
K
-
L
S
---
G
-
D
T
L
D
G
E
T
A
F
R
L
Y
D
T
Y
G
F
P
V
D
L
T
A
D
V
C
R
E
R
N
I
K
V
D
E
A
--
G
-
F
E
A
A
M
E
E
Q
R
R
R
A
R
E
A
S
G
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
90.04
52%
-95
- C1 -
3HXZ
4
SYA_ECOLI
D:
[6-436]
----
E
I
R
Q
A
F
L
D
F
F
H
S
K
G
H
Q
V
V
A
S
S
S
L
V
P
H
N
D
P
T
L
L
F
T
N
A
G
M
N
Q
F
K
D
V
F
L
G
-
L
D
K
R
N
Y
S
R
A
T
T
S
Q
R
C
V
R
A
G
G
K
H
N
D
L
E
N
V
G
Y
T
A
R
H
H
T
F
F
E
M
L
G
N
F
S
F
G
D
-----
Y
F
K
L
D
A
I
L
F
A
W
L
L
L
T
S
--
E
KW
F
A
L
P
K
E
R
L
W
V
T
V
Y
E
S
D
D
E
A
Y
E
I
W
E
K
E
V
G
I
P
R
E
R
I
I
R
I
G
DNKGAPY
A
S
D
N
F
W
Q
M
G
D
T
G
P
C
G
P
C
T
E
I
F
Y
D
H
GDHIWGGPP
G
S
P
E
--------
E
D
G
D
-
R
Y
I
E
I
W
N
I
V
F
M
Q
F
N
R
Q
A
D
G
-------
T
M
E
P
L
P
K
P
S
V
D
T
A
M
G
L
E
R
I
A
A
V
L
Q
H
V
N
S
N
Y
D
I
D
L
F
R
T
L
I
Q
A
V
A
K
V
T
G
AT---
D
L
----------------------------------------------------
S
N
K
S
L
-
R
V
I
A
D
H
I
R
S
C
A
F
L
I
A
D
G
V
M
P
S
N
E
N
R
G
Y
V
L
R
R
I
I
R
R
A
V
R
H
G
N
M
L
G
A
K
E
T
F
F
Y
K
L
V
G
P
L
I
D
-----
V
M
G
S
A
G
E
D
L
K
R
Q
Q
A
Q
V
E
Q
V
L
K
T
E
E
E
Q
F
A
R
T
L
E
R
G
L
A
L
L
D
E
E
L
A
K
-
L
S
---
G
-
D
T
L
D
G
E
T
A
F
R
L
Y
D
T
Y
G
F
P
V
D
L
T
A
D
V
C
R
E
R
N
I
K
V
D
E
A
--
G
-
F
E
A
A
M
E
E
Q
R
R
R
A
R
E
A
S
G
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
24
PsiBlast_CBE
89.94
52%
-95
- C1 -
3HXZ
4
SYA_ECOLI
C:
[6-436]
----
E
I
R
Q
A
F
L
D
F
F
H
S
K
G
H
Q
V
V
A
S
S
S
L
V
P
H
N
D
P
T
L
L
F
T
N
A
G
M
N
Q
F
K
D
V
F
L
G
-
L
D
K
R
N
Y
S
R
A
T
T
S
Q
R
C
V
R
A
G
G
K
H
N
D
L
E
N
V
G
Y
T
A
R
H
H
T
F
F
E
M
L
G
N
F
S
F
G
D
-----
Y
F
K
L
D
A
I
L
F
A
W
L
L
L
T
S
--
E
KW
F
A
L
P
K
E
R
L
W
V
T
V
Y
E
S
D
D
E
A
Y
E
I
W
E
K
E
V
G
I
P
R
E
R
I
I
R
I
G
DNKGAPY
A
S
D
N
F
W
Q
M
G
D
T
G
P
C
G
P
C
T
E
I
F
Y
D
H
GDHIWGGPP
G
S
P
E
--------
E
D
G
D
-
R
Y
I
E
I
W
N
I
V
F
M
Q
F
N
R
Q
A
D
G
-------
T
M
E
P
L
P
K
P
S
V
D
T
A
M
G
L
E
R
I
A
A
V
L
Q
H
V
N
S
N
Y
D
I
D
L
F
R
T
L
I
Q
A
V
A
K
V
T
G
AT---
D
L
----------------------------------------------------
S
N
K
S
L
-
R
V
I
A
D
H
I
R
S
C
A
F
L
I
A
D
G
V
M
P
S
N
E
N
R
G
Y
V
L
R
R
I
I
R
R
A
V
R
H
G
N
M
L
G
A
K
E
T
F
F
Y
K
L
V
G
P
L
I
D
-----
V
M
G
S
A
G
E
D
L
K
R
Q
Q
A
Q
V
E
Q
V
L
K
T
E
E
E
Q
F
A
R
T
L
E
R
G
L
A
L
L
D
E
E
L
A
K
-
L
S
---
G
-
D
T
L
D
G
E
T
A
F
R
L
Y
D
T
Y
G
F
P
V
D
L
T
A
D
V
C
R
E
R
N
I
K
V
D
E
A
--
G
-
F
E
A
A
M
E
E
Q
R
R
R
A
R
E
A
S
G
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
25
PsiBlast_CBE
89.93
52%
-94
- C1 -
3HXZ
6
SYA_ECOLI
B:
[6-436]
----
E
I
R
Q
A
F
L
D
F
F
H
S
K
G
H
Q
V
V
A
S
S
S
L
V
P
H
N
D
P
T
L
L
F
T
N
A
G
M
N
Q
F
K
D
V
F
L
G
-
L
D
K
R
N
Y
S
R
A
T
T
S
Q
R
C
V
R
A
G
G
K
H
N
D
L
E
N
V
G
Y
T
A
R
H
H
T
F
F
E
M
L
G
N
F
S
F
G
D
-----
Y
F
K
L
D
A
I
L
F
A
W
L
L
L
T
S
--
E
KW
F
A
L
P
K
E
R
L
W
V
T
V
Y
E
S
D
D
E
A
Y
E
I
W
E
K
E
V
G
I
P
R
E
R
I
I
R
I
G
DNKGAPY
A
S
D
N
F
W
Q
M
G
D
T
G
P
C
G
P
C
T
E
I
F
Y
D
H
GDHIWGGPP
G
S
P
E
--------
E
D
G
D
-
R
Y
I
E
I
W
N
I
V
F
M
Q
F
N
R
Q
A
D
G
-------
T
M
E
P
L
P
K
P
S
V
D
T
A
M
G
L
E
R
I
A
A
V
L
Q
H
V
N
S
N
Y
D
I
D
L
F
R
T
L
I
Q
A
V
A
K
V
T
G
AT---
D
L
----------------------------------------------------
S
N
K
S
L
-
R
V
I
A
D
H
I
R
S
C
A
F
L
I
A
D
G
V
M
P
S
N
E
N
R
G
Y
V
L
R
R
I
I
R
R
A
V
R
H
G
N
M
L
G
A
K
E
T
F
F
Y
K
L
V
G
P
L
I
D
-----
V
M
G
S
A
G
E
D
L
K
R
Q
Q
A
Q
V
E
Q
V
L
K
T
E
E
E
Q
F
A
R
T
L
E
R
G
L
A
L
L
D
E
E
L
A
K
-
L
S
---
G
-
D
T
L
D
G
E
T
A
F
R
L
Y
D
T
Y
G
F
P
V
D
L
T
A
D
V
C
R
E
R
N
I
K
V
D
E
A
--
G
-
F
E
A
A
M
E
E
Q
R
R
R
A
R
E
A
S
G
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
89.81
52%
-96
- C1 -
3HXY
5
SYA_ECOLI
A:
[6-436]
----
E
I
R
Q
A
F
L
D
F
F
H
S
K
G
H
Q
V
V
A
S
S
S
L
V
P
H
N
D
P
T
L
L
F
T
N
A
G
M
N
Q
F
K
D
V
F
L
G
-
L
D
K
R
N
Y
S
R
A
T
T
S
Q
R
C
V
R
A
G
G
K
H
N
D
L
E
N
V
G
Y
T
A
R
H
H
T
F
F
E
M
L
G
N
F
S
F
G
D
-----
Y
F
K
L
D
A
I
L
F
A
W
L
L
L
T
S
--
E
KW
F
A
L
P
K
E
R
L
W
V
T
V
Y
E
S
D
D
E
A
Y
E
I
W
E
K
E
V
G
I
P
R
E
R
I
I
R
I
G
DNKGAPY
A
S
D
N
F
W
Q
M
G
D
T
G
P
C
G
P
C
T
E
I
F
Y
D
H
GDH
I
W
G
G
P
P
G
S
P
E
--------
E
D
G
D
-
R
Y
I
E
I
W
N
I
V
F
M
Q
F
N
R
Q
A
D
G
-------
T
M
E
P
L
P
K
P
S
V
D
T
G
M
G
L
E
R
I
A
A
V
L
Q
H
V
N
S
N
Y
D
I
D
L
F
R
T
L
I
Q
A
V
A
K
V
T
G
AT---
D
L
----------------------------------------------------
S
N
K
S
L
-
R
V
I
A
D
H
I
R
S
C
A
F
L
I
A
D
G
V
M
P
S
N
E
N
R
G
Y
V
L
R
R
I
I
R
R
A
V
R
H
G
N
M
L
G
A
K
E
T
F
F
Y
K
L
V
G
P
L
I
D
-----
V
M
G
S
A
G
E
D
L
K
R
Q
Q
A
Q
V
E
Q
V
L
K
T
E
E
E
Q
F
A
R
T
L
E
R
G
L
A
L
L
D
E
E
L
A
K
-
L
S
---
G
-
D
T
L
D
G
E
T
A
F
R
L
Y
D
T
Y
G
F
P
V
D
L
T
A
D
V
C
R
E
R
N
I
K
V
D
E
A
--
G
-
F
E
A
A
M
E
E
Q
R
R
R
A
R
E
A
S
G
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
89.64
52%
-94
- C1 -
3HY1
4
SYA_ECOLI
A:
[6-436]
----
E
I
R
Q
A
F
L
D
F
F
H
S
K
G
H
Q
V
V
A
S
S
S
L
V
P
H
N
D
P
T
L
L
F
T
N
A
G
M
N
Q
F
K
D
V
F
L
G
-
L
D
K
R
N
Y
S
R
A
T
T
S
Q
R
C
V
R
A
G
G
K
H
N
D
L
E
N
V
G
Y
T
A
R
H
H
T
F
F
E
M
L
G
N
F
S
F
G
D
-----
Y
F
K
L
D
A
I
L
F
A
W
L
L
L
T
S
--
E
KW
F
A
L
P
K
E
R
L
W
V
T
V
Y
E
S
D
D
E
A
Y
E
I
W
E
K
E
V
G
I
P
R
E
R
I
I
R
I
G
DNKGAPY
A
S
D
N
F
W
Q
M
G
D
T
G
P
C
G
P
C
T
E
I
F
Y
D
H
GDH
I
W
G
G
P
P
G
S
P
E
--------
E
D
G
D
-
R
Y
I
E
I
W
N
I
V
F
M
Q
F
N
R
Q
A
D
G
-------
T
M
E
P
L
P
K
P
S
V
D
T
A
M
G
L
E
R
I
A
A
V
L
Q
H
V
N
S
N
Y
D
I
D
L
F
R
T
L
I
Q
A
V
A
K
V
T
G
AT---
D
L
----------------------------------------------------
S
N
K
S
L
-
R
V
I
A
D
H
I
R
S
C
A
F
L
I
A
D
G
V
M
P
S
N
E
N
R
G
Y
V
L
R
R
I
I
R
R
A
V
R
H
G
N
M
L
G
A
K
E
T
F
F
Y
K
L
V
G
P
L
I
D
-----
V
M
G
S
A
G
E
D
L
K
R
Q
Q
A
Q
V
E
Q
V
L
K
T
E
E
E
Q
F
A
R
T
L
E
R
G
L
A
L
L
D
E
E
L
A
K
-
L
S
---
G
-
D
T
L
D
G
E
T
A
F
R
L
Y
D
T
Y
G
F
P
V
D
L
T
A
D
V
C
R
E
R
N
I
K
V
D
E
A
--
G
-
F
E
A
A
M
E
E
Q
R
R
R
A
R
E
A
S
G
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
89.49
52%
-93
- C1 -
3HXX
3
SYA_ECOLI
A:
[6-436]
----
E
I
R
Q
A
F
L
D
F
F
H
S
K
G
H
Q
V
V
A
S
S
S
L
V
P
H
N
D
P
T
L
L
F
T
N
A
G
M
N
Q
F
K
D
V
F
L
G
-
L
D
K
R
N
Y
S
R
A
T
T
S
Q
R
C
V
R
A
G
G
K
H
N
D
L
E
N
V
G
Y
T
A
R
H
H
T
F
F
E
M
L
G
N
F
S
F
G
D
-----
Y
F
K
L
D
A
I
L
F
A
W
L
L
L
T
S
--
E
KW
F
A
L
P
K
E
R
L
W
V
T
V
Y
E
S
D
D
E
A
Y
E
I
W
E
K
E
V
G
I
P
R
E
R
I
I
R
I
G
DNKGAPY
A
S
D
N
F
W
Q
M
G
D
T
G
P
C
G
P
C
T
E
I
F
Y
D
H
GDH
I
W
G
G
P
P
G
S
P
E
--------
E
D
G
D
-
R
Y
I
E
I
W
N
I
V
F
M
Q
F
N
R
Q
A
D
G
-------
T
M
E
P
L
P
K
P
S
V
D
T
G
M
G
L
E
R
I
A
A
V
L
Q
H
V
N
S
N
Y
D
I
D
L
F
R
T
L
I
Q
A
V
A
K
V
T
G
AT---
D
L
----------------------------------------------------
S
N
K
S
L
-
R
V
I
A
D
H
I
R
S
C
A
F
L
I
A
D
G
V
M
P
S
N
E
N
R
G
Y
V
L
R
R
I
I
R
R
A
V
R
H
G
N
M
L
G
A
K
E
T
F
F
Y
K
L
V
G
P
L
I
D
-----
V
M
G
S
A
G
E
D
L
K
R
Q
Q
A
Q
V
E
Q
V
L
K
T
E
E
E
Q
F
A
R
T
L
E
R
G
L
A
L
L
D
E
E
L
A
K
-
L
S
---
G
-
D
T
L
D
G
E
T
A
F
R
L
Y
D
T
Y
G
F
P
V
D
L
T
A
D
V
C
R
E
R
N
I
K
V
D
E
A
--
G
-
F
E
A
A
M
E
E
Q
R
R
R
A
R
E
A
S
G
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
87.89
47%
-93
- C1 -
1YFT
1
SYA_AQUAE
A:
[3-454]
L
S
A
H
E
I
R
E
L
F
L
S
F
F
E
K
K
G
H
T
R
V
K
S
A
P
L
V
P
E
N
D
P
T
L
L
F
V
N
A
G
M
V
P
F
K
N
V
F
L
G
-
L
E
K
R
P
Y
K
R
A
T
S
C
Q
K
C
L
R
V
S
G
K
H
N
D
L
E
Q
V
G
Y
T
S
R
H
H
T
F
F
E
M
L
G
N
F
S
F
G
D
-----
Y
F
K
K
E
A
I
E
Y
A
W
E
F
V
T
E
--
V
--
L
K
L
P
K
E
K
L
Y
V
S
V
Y
K
D
D
E
E
A
Y
R
I
W
N
E
H
I
G
I
P
S
E
R
I
W
R
L
G
-------
E
E
D
N
F
W
Q
M
G
D
V
G
P
C
G
P
S
S
E
I
Y
V
D
R
---------
G
E
-
E
-------
Y
E
G
D
E
-
R
Y
L
E
I
W
N
L
V
F
M
Q
Y
N
R
D
E
N
G
-------
V
L
T
P
L
P
H
P
N
I
D
T
G
M
G
L
E
R
I
A
S
V
L
Q
G
K
N
S
N
F
E
I
D
I
I
F
P
L
I
Q
F
G
E
E
V
S
G
KKYGE
K
F
----------------------------------------------------
E
T
D
V
A
L
R
V
I
A
D
H
L
R
A
I
T
F
A
I
S
D
G
V
I
P
S
N
E
G
R
G
Y
V
I
R
R
I
L
R
R
A
M
R
F
G
Y
K
L
G
I
E
N
P
F
L
Y
K
G
V
D
L
V
V
D
-----
I
M
K
E
P
Y
P
E
L
E
L
S
R
E
F
V
K
G
I
V
K
G
E
E
K
R
F
I
K
T
L
K
A
G
M
E
Y
I
Q
E
V
I
Q
K
A
L
E
--
E
G
R
K
T
L
S
G
K
E
V
F
T
A
Y
D
T
Y
G
F
P
V
D
L
I
D
E
I
A
R
E
K
G
L
G
I
D
L
E
--
G
-
F
Q
C
E
L
E
E
Q
R
E
R
A
R
K
H
----------
P
V
Y
S
H
L
-
K
E
L
G
K
T
S
A
F
V
G
A
A
A
L
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
87.58
52%
-92
- C1 -
3HY1
1
SYA_ECOLI
B:
[6-436]
----
E
I
R
Q
A
F
L
D
F
F
H
S
K
G
H
Q
V
V
A
S
S
S
L
V
P
H
N
D
P
T
L
L
F
T
N
A
G
M
N
Q
F
K
D
V
F
L
G
-
L
D
K
R
N
Y
S
R
A
T
T
S
Q
R
C
V
R
A
G
G
K
H
N
D
L
E
N
V
G
Y
T
A
R
H
H
T
F
F
E
M
L
G
N
F
S
F
G
D
-----
Y
F
K
L
D
A
I
L
F
A
W
L
L
L
T
S
--
E
KW
F
A
L
P
K
E
R
L
W
V
T
V
Y
E
S
D
D
E
A
Y
E
I
W
E
K
E
V
G
I
P
R
E
R
I
I
R
I
G
DNKGAPY
A
S
D
N
F
W
Q
M
G
D
T
G
P
C
G
P
C
T
E
I
F
Y
D
H
--------------------------
R
Y
I
E
I
W
N
I
V
F
M
Q
F
N
R
Q
A
D
G
-------
T
M
E
P
L
P
K
P
S
V
D
T
A
M
G
L
E
R
I
A
A
V
L
Q
H
V
N
S
N
Y
D
I
D
L
F
R
T
L
I
Q
A
V
A
K
V
T
G
AT---
D
L
----------------------------------------------------
S
N
K
S
L
-
R
V
I
A
D
H
I
R
S
C
A
F
L
I
A
D
G
V
M
P
S
N
E
N
R
G
Y
V
L
R
R
I
I
R
R
A
V
R
H
G
N
M
L
G
A
K
E
T
F
F
Y
K
L
V
G
P
L
I
D
-----
V
M
G
S
A
G
E
D
L
K
R
Q
Q
A
Q
V
E
Q
V
L
K
T
E
E
E
Q
F
A
R
T
L
E
R
G
L
A
L
L
D
E
E
L
A
K
-
L
S
---
G
-
D
T
L
D
G
E
T
A
F
R
L
Y
D
T
Y
G
F
P
V
D
L
T
A
D
V
C
R
E
R
N
I
K
V
D
E
A
--
G
-
F
E
A
A
M
E
E
Q
R
R
R
A
R
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
87.51
47%
-91
- C1 -
3HTZ
-
SYA_AQUAE
A:
[2-453]
L
S
A
H
E
I
R
E
L
F
L
S
F
F
E
K
K
G
H
T
R
V
K
S
A
P
L
V
P
E
N
D
P
T
L
L
F
V
N
A
G
M
V
P
F
K
N
V
F
L
G
-
L
E
K
R
P
Y
K
R
A
T
S
C
Q
K
C
L
R
V
S
G
K
H
N
D
L
E
Q
V
G
Y
T
S
R
H
H
T
F
F
E
M
L
G
N
F
S
F
G
D
-----
Y
F
K
K
E
A
I
E
Y
A
W
E
F
V
T
E
--
V
--
L
K
L
P
K
E
K
L
Y
V
S
V
Y
K
D
D
E
E
A
Y
R
I
W
N
E
H
I
G
I
P
S
E
R
I
W
R
L
G
-------
E
E
D
N
F
W
Q
M
G
D
V
G
P
C
G
P
S
S
E
I
Y
V
D
R
---------
G
E
-
E
-------
Y
E
G
D
E
-
R
Y
L
E
I
W
N
L
V
F
M
Q
Y
N
R
D
E
N
G
-------
V
L
T
P
L
P
H
P
N
I
D
T
G
M
G
L
E
R
I
A
S
V
L
Q
G
K
N
S
N
F
E
I
D
I
I
F
P
L
I
Q
F
G
E
E
V
S
G
KKYGE
K
F
----------------------------------------------------
E
T
D
V
A
L
R
V
I
A
D
H
L
R
A
I
T
F
A
I
S
D
G
V
I
P
S
N
E
G
R
G
Y
V
I
R
R
I
L
R
R
A
M
R
F
G
Y
K
L
G
I
E
N
P
F
L
Y
K
G
V
D
L
V
V
D
-----
I
M
K
E
P
Y
P
E
L
E
L
S
R
E
F
V
K
G
I
V
K
G
E
E
K
R
F
I
K
T
L
K
A
G
M
E
Y
I
Q
E
V
I
Q
K
A
L
E
--
E
G
R
K
T
L
S
G
K
E
V
F
T
A
Y
D
T
Y
G
F
P
V
D
L
I
D
E
I
A
R
E
K
G
L
G
I
D
L
E
--
G
-
F
Q
C
E
L
E
E
Q
R
E
R
A
R
-----------
K
P
V
Y
S
H
L
-
K
E
L
G
K
T
S
A
F
V
G
A
A
A
L
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
86.96
47%
-91
- C1 -
1YFS
1
SYA_AQUAE
A:
[3-454]
L
S
A
H
E
I
R
E
L
F
L
S
F
F
E
K
K
G
H
T
R
V
K
S
A
P
L
V
P
E
N
D
P
T
L
L
F
V
N
A
G
M
V
P
F
K
N
V
F
L
G
-
L
E
K
R
P
Y
K
R
A
T
S
C
Q
K
C
L
R
V
S
G
K
H
N
D
L
E
Q
V
G
Y
T
S
R
H
H
T
F
F
E
M
L
G
N
F
S
F
G
D
-----
Y
F
K
K
E
A
I
E
Y
A
W
E
F
V
T
E
--
V
--
L
K
L
P
K
E
K
L
Y
V
S
V
Y
K
D
D
E
E
A
Y
R
I
W
N
E
H
I
G
I
P
S
E
R
I
W
R
L
G
-------
E
E
D
N
F
W
Q
M
G
D
V
G
P
C
G
P
S
S
E
I
Y
V
D
R
---------
G
E
-
E
-------
Y
E
G
D
E
-
R
Y
L
E
I
W
N
L
V
F
M
Q
Y
N
R
D
E
N
G
-------
V
L
T
P
L
P
H
P
N
I
D
T
G
M
G
L
E
R
I
A
S
V
L
Q
G
K
N
S
N
F
E
I
D
I
I
F
P
L
I
Q
F
G
E
E
V
S
G
KKYGE
K
F
----------------------------------------------------
E
T
D
V
A
L
R
V
I
A
D
H
L
R
A
I
T
F
A
I
S
D
G
V
I
P
S
N
E
G
R
G
Y
V
I
R
R
I
L
R
R
A
M
R
F
G
Y
K
L
G
I
E
N
P
F
L
Y
K
G
V
D
L
V
V
D
-----
I
M
K
E
P
Y
P
E
L
E
L
S
R
E
F
V
K
G
I
V
K
G
E
E
K
R
F
I
K
T
L
K
A
G
M
E
Y
I
Q
E
V
I
Q
K
A
L
E
--
E
G
R
K
T
L
S
G
K
E
V
F
T
A
Y
D
T
Y
G
F
P
V
D
L
I
D
E
I
A
R
E
K
G
L
G
I
D
L
E
--
G
-
F
Q
C
E
L
E
E
Q
R
E
R
A
R
K
H
----------
P
V
Y
S
H
L
-
K
E
L
G
K
T
S
A
F
V
G
A
A
A
L
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
26
PsiBlast_CBE
86.78
47%
-90
- C1 -
1YFS
1
SYA_AQUAE
B:
[3-454]
L
S
A
H
E
I
R
E
L
F
L
S
F
F
E
K
K
G
H
T
R
V
K
S
A
P
L
V
P
E
N
D
P
T
L
L
F
V
N
A
G
M
V
P
F
K
N
V
F
L
G
-
L
E
K
R
P
Y
K
R
A
T
S
C
Q
K
C
L
R
V
S
G
K
H
N
D
L
E
Q
V
G
Y
T
S
R
H
H
T
F
F
E
M
L
G
N
F
S
F
G
D
-----
Y
F
K
K
E
A
I
E
Y
A
W
E
F
V
T
E
--
V
--
L
K
L
P
K
E
K
L
Y
V
S
V
Y
K
D
D
E
E
A
Y
R
I
W
N
E
H
I
G
I
P
S
E
R
I
W
R
L
G
-------
E
E
D
N
F
W
Q
M
G
D
V
G
P
C
G
P
S
S
E
I
Y
V
D
R
---------
G
E
-
E
-------
Y
E
G
D
E
-
R
Y
L
E
I
W
N
L
V
F
M
Q
Y
N
R
D
E
N
G
-------
V
L
T
P
L
P
H
P
N
I
D
T
G
M
G
L
E
R
I
A
S
V
L
Q
G
K
N
S
N
F
E
I
D
I
I
F
P
L
I
Q
F
G
E
E
V
S
G
KKYGE
K
F
----------------------------------------------------
E
T
D
V
A
L
R
V
I
A
D
H
L
R
A
I
T
F
A
I
S
D
G
V
I
P
S
N
E
G
R
G
Y
V
I
R
R
I
L
R
R
A
M
R
F
G
Y
K
L
G
I
E
N
P
F
L
Y
K
G
V
D
L
V
V
D
-----
I
M
K
E
P
Y
P
E
L
E
L
S
R
E
F
V
K
G
I
V
K
G
E
E
K
R
F
I
K
T
L
K
A
G
M
E
Y
I
Q
E
V
I
Q
K
A
L
E
--
E
G
R
K
T
L
S
G
K
E
V
F
T
A
Y
D
T
Y
G
F
P
V
D
L
I
D
E
I
A
R
E
K
G
L
G
I
D
L
E
--
G
-
F
Q
C
E
L
E
E
Q
R
E
R
A
R
K
H
----------
P
V
Y
S
H
L
-
K
E
L
G
K
T
S
A
F
V
G
A
A
A
L
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
30
HHSearch
86.69
27%
-71
- C1 -
2ZTG
3
SYA_ARCFU
A:
[60-739]
F
E
L
D
E
M
R
E
Y
Y
L
N
F
F
E
R
R
G
H
G
R
I
E
R
Y
P
V
V
A
R
W
R
T
D
I
Y
L
T
I
A
S
I
A
D
F
Q
P
F
V
T
S
G
V
A
P
P
P
A
N
P
L
T
I
S
Q
P
C
I
R
L
----
D
D
L
D
S
V
G
R
T
G
R
H
L
T
L
F
E
M
M
A
H
H
A
F
N
Y
PGKEI
Y
W
K
N
E
T
V
A
Y
C
T
E
L
L
N
---
E
--
L
G
V
K
K
E
D
I
--------------------------
V
Y
----------
K
E
E
P
W
A
G
G
--
G
N
A
G
P
C
L
E
A
I
V
----------------------------
G
G
L
E
V
A
T
L
V
F
M
N
L
E
E
H
P
E
G
DIEIKG
A
R
Y
R
K
M
D
N
Y
I
V
D
T
G
Y
G
L
E
R
F
V
W
A
S
K
G
T
P
T
V
Y
D
A
-
I
F
P
E
V
V
D
T
I
I
D
N
S
N
-----
V
S
FNRED
E
R
V
R
R
I
V
A
E
S
S
K
L
A
GIMGELRGERL
N
Q
L
R
K
S
V
A
D
T
V
GVS
V
E
E
L
E
G
I
V
V
P
L
E
K
V
Y
S
L
A
D
H
T
R
C
I
L
F
M
L
G
D
G
L
V
P
S
N
A
G
A
G
Y
L
A
R
L
M
I
R
R
S
L
R
L
A
E
E
L
E
L
G
L
-
D
L
Y
D
L
V
E
M
H
K
K
-----
I
L
G
F
E
F
D
V
---
P
L
S
T
V
Q
E
I
L
E
L
E
K
E
R
Y
R
T
T
V
S
K
G
T
R
L
V
E
R
L
V
E
R
------
K
-
K
K
L
E
K
D
D
L
I
E
L
Y
D
S
H
G
I
P
V
E
L
A
V
G
I
A
A
E
K
G
A
E
V
E
M
P
--
K
D
I
Y
A
E
L
A
K
R
H
S
K
A
E
K
V
Q
E
K
K
I
---------
T
L
Q
N
E
Y
P
A
T
E
-
K
L
Y
Y
D
D
P
T
LL
E
F
E
A
E
V
I
--
G
V
E
-------------
G
D
F
V
I
L
N
R
S
A
F
Y
P
E
S
G
G
Q
D
N
D
V
G
Y
L
I
A
N
G
----------------------
G
K
F
E
V
V
D
V
L
E
A
D
G
V
V
L
H
V
V
K
G
--
A
K
P
E
V
G
T
K
V
K
G
V
I
D
S
D
V
R
W
R
H
M
R
H
H
S
A
T
H
V
L
L
Y
S
L
Q
K
V
L
G
N
H
V
W
Q
A
G
A
R
K
E
F
S
K
A
R
L
D
V
T
H
F
R
R
P
S
E
E
E
I
K
E
I
E
M
L
A
N
R
E
I
L
A
N
K
P
I
K
W
E
W
M
D
R
I
E
A
E
R
K
F
G
F
R
L
Y
Q
G
G
V
P
P
G
R
K
I
R
V
V
Q
V
G
D
D
V
Q
A
C
G
G
T
H
C
R
S
T
G
E
I
G
M
L
K
I
L
K
V
E
S
I
Q
D
G
V
I
R
F
E
F
A
A
G
E
A
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
86.47
47%
-91
- C1 -
1YFR
3
SYA_AQUAE
A:
[3-454]
L
S
A
H
E
I
R
E
L
F
L
S
F
F
E
K
K
G
H
T
R
V
K
S
A
P
L
V
P
E
N
D
P
T
L
L
F
V
N
A
G
M
V
P
F
K
N
V
F
L
G
-
L
E
K
R
P
Y
K
R
A
T
S
C
Q
K
C
L
R
V
S
G
K
H
N
D
L
E
Q
V
G
Y
T
S
R
H
H
T
F
F
E
M
L
G
N
F
S
F
G
D
-----
Y
F
K
K
E
A
I
E
Y
A
W
E
F
V
T
E
--
V
--
L
K
L
P
K
E
K
L
Y
V
S
V
Y
K
D
D
E
E
A
Y
R
I
W
N
E
H
I
G
I
P
S
E
R
I
W
R
L
G
-------
E
E
D
N
F
W
Q
M
G
D
V
G
P
C
G
P
S
S
E
I
Y
V
D
R
---------
G
E
-
E
-------
Y
E
G
D
E
-
R
Y
L
E
I
W
N
L
V
F
M
Q
Y
N
R
D
E
N
G
-------
V
L
T
P
L
P
H
P
N
I
D
T
G
M
G
L
E
R
I
A
S
V
L
Q
G
K
N
S
N
F
E
I
D
I
I
F
P
L
I
Q
F
G
E
E
V
S
G
KKYGE
K
F
----------------------------------------------------
E
T
D
V
A
L
R
V
I
A
D
H
L
R
A
I
T
F
A
I
S
D
G
V
I
P
S
N
E
G
R
G
Y
V
I
R
R
I
L
R
R
A
M
R
F
G
Y
K
L
G
I
E
N
P
F
L
Y
K
G
V
D
L
V
V
D
-----
I
M
K
E
P
Y
P
E
L
E
L
S
R
E
F
V
K
G
I
V
K
G
E
E
K
R
F
I
K
T
L
K
A
G
M
E
Y
I
Q
E
V
I
Q
K
A
L
E
--
E
G
R
K
T
L
S
G
K
E
V
F
T
A
Y
D
T
Y
G
F
P
V
D
L
I
D
E
I
A
R
E
K
G
L
G
I
D
L
E
--
G
-
F
Q
C
E
L
E
E
Q
R
E
R
A
R
K
H
----------
P
V
Y
S
H
L
-
K
E
L
G
K
T
S
A
F
V
G
A
A
A
L
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
86.44
48%
-85
- C1 -
1YFS
1
SYA_AQUAE
A:
[3-458]
L
S
A
H
E
I
R
E
L
F
L
S
F
F
E
K
K
G
H
T
R
V
K
S
A
P
L
V
P
E
N
D
P
T
L
L
F
V
N
A
G
M
V
P
F
K
N
V
F
L
G
-
L
E
K
R
P
Y
K
R
A
T
S
C
Q
K
C
L
R
V
S
G
K
H
N
D
L
E
Q
V
G
Y
T
S
R
H
H
T
F
F
E
M
L
G
N
F
S
F
G
D
-----
Y
F
K
K
E
A
I
E
Y
A
W
E
F
V
T
E
--
V
--
L
K
L
P
K
E
K
L
Y
V
S
V
Y
K
D
D
E
E
A
Y
R
I
W
N
E
H
I
G
I
P
S
E
R
I
W
R
L
G
-------
E
E
D
N
F
W
Q
M
G
D
V
G
P
C
G
P
S
S
E
I
Y
V
D
R
---------
G
E
E
Y
---------
E
G
D
E
R
Y
L
E
I
W
N
L
V
F
M
Q
Y
N
R
D
E
N
G
-------
V
L
T
P
L
P
H
P
N
I
D
T
G
M
G
L
E
R
I
A
S
V
L
Q
G
K
N
S
N
F
E
I
D
I
I
F
P
L
I
Q
F
G
E
E
V
S
G
-----
K
K
YGEK
F
-----------------------------------------------
E
T
D
V
A
L
R
V
I
A
D
H
L
R
A
I
T
F
A
I
S
D
G
V
I
P
S
N
E
G
R
G
Y
V
I
R
R
I
L
R
R
A
M
R
F
G
Y
K
L
G
I
E
N
P
F
L
Y
K
G
V
D
L
V
V
D
-----
I
M
K
E
P
Y
P
E
L
E
L
S
R
E
F
V
K
G
I
V
K
G
E
E
K
R
F
I
K
T
L
K
A
G
M
E
Y
I
Q
E
V
I
Q
K
-
A
L
E
E
G
R
-
K
T
L
S
G
K
E
V
F
T
A
Y
D
T
Y
G
F
P
V
D
L
I
D
E
I
A
R
E
K
G
L
G
I
D
L
E
--
G
-
F
Q
C
E
L
E
E
Q
R
E
R
A
R
K
H
---------
P
-
V
Y
S
H
L
K
E
L
G
K
T
S
A
-
F
V
G
A
A
A
L
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
27
PsiBlast_CBE
86.03
47%
-86
- C1 -
1YFR
4
SYA_AQUAE
B:
[3-454]
L
S
A
H
E
I
R
E
L
F
L
S
F
F
E
K
K
G
H
T
R
V
K
S
A
P
L
V
P
E
N
D
P
T
L
L
F
V
N
A
G
M
V
P
F
K
N
V
F
L
G
-
L
E
K
R
P
Y
K
R
A
T
S
C
Q
K
C
L
R
V
S
G
K
H
N
D
L
E
Q
V
G
Y
T
S
R
H
H
T
F
F
E
M
L
G
N
F
S
F
G
D
-----
Y
F
K
K
E
A
I
E
Y
A
W
E
F
V
T
E
--
V
--
L
K
L
P
K
E
K
L
Y
V
S
V
Y
K
D
D
E
E
A
Y
R
I
W
N
E
H
I
G
I
P
S
E
R
I
W
R
L
G
-------
E
E
D
N
F
W
Q
M
G
D
V
G
P
C
G
P
S
S
E
I
Y
V
D
R
---------
G
E
-
E
-------
Y
E
G
D
E
-
R
Y
L
E
I
W
N
L
V
F
M
Q
Y
N
R
D
E
N
G
-------
V
L
T
P
L
P
H
P
N
I
D
T
G
M
G
L
E
R
I
A
S
V
L
Q
G
K
N
S
N
F
E
I
D
I
I
F
P
L
I
Q
F
G
E
E
V
S
G
KKYGE
K
F
----------------------------------------------------
E
T
D
V
A
L
R
V
I
A
D
H
L
R
A
I
T
F
A
I
S
D
G
V
I
P
S
N
E
G
R
G
Y
V
I
R
R
I
L
R
R
A
M
R
F
G
Y
K
L
G
I
E
N
P
F
L
Y
K
G
V
D
L
V
V
D
-----
I
M
K
E
P
Y
P
E
L
E
L
S
R
E
F
V
K
G
I
V
K
G
E
E
K
R
F
I
K
T
L
K
A
G
M
E
Y
I
Q
E
V
I
Q
K
A
L
E
--
E
G
R
K
T
L
S
G
K
E
V
F
T
A
Y
D
T
Y
G
F
P
V
D
L
I
D
E
I
A
R
E
K
G
L
G
I
D
L
E
--
G
-
F
Q
C
E
L
E
E
Q
R
E
R
A
R
K
H
----------
P
V
Y
S
H
L
-
K
E
L
G
K
T
S
A
F
V
G
A
A
A
L
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
85.71
47%
-93
- C1 -
1YGB
1
SYA_AQUAE
A:
[3-454]
L
S
A
H
E
I
R
E
L
F
L
S
F
F
E
K
K
G
H
T
R
V
K
S
A
P
L
V
P
E
N
D
P
T
L
L
F
V
N
A
G
M
V
P
F
K
N
V
F
L
G
-
L
E
K
R
P
Y
K
R
A
T
S
C
Q
K
C
L
R
V
S
G
K
H
N
D
L
E
Q
V
G
Y
T
S
R
H
H
T
F
F
E
M
L
G
N
F
S
F
G
D
-----
Y
F
K
K
E
A
I
E
Y
A
W
E
F
V
T
E
--
V
--
L
K
L
P
K
E
K
L
Y
V
S
V
Y
K
D
D
E
E
A
Y
R
I
W
N
E
H
I
G
I
P
S
E
R
I
W
R
L
G
-------
E
E
D
N
F
W
Q
M
G
D
V
G
P
C
G
P
S
S
E
I
Y
V
D
R
---------
G
E
-
E
-------
Y
E
G
D
E
-
R
Y
L
E
I
W
N
L
V
F
M
Q
Y
N
R
D
E
N
G
-------
V
L
T
P
L
P
H
P
N
I
D
T
G
M
G
L
E
R
I
A
S
V
L
Q
G
K
N
S
N
F
E
I
D
I
I
F
P
L
I
Q
F
G
E
E
V
S
G
KKYGE
K
F
----------------------------------------------------
E
T
D
V
A
L
R
V
I
A
D
H
L
R
A
I
T
F
A
I
S
D
G
V
I
P
S
N
E
G
R
G
Y
V
I
R
R
I
L
R
R
A
M
R
F
G
Y
K
L
G
I
E
N
P
F
L
Y
K
G
V
D
L
V
V
D
-----
I
M
K
E
P
Y
P
E
L
E
L
S
R
E
F
V
K
G
I
V
K
G
E
E
K
R
F
I
K
T
L
K
A
G
M
E
Y
I
Q
E
V
I
Q
K
A
L
E
--
E
G
R
K
T
L
S
G
K
E
V
F
T
A
Y
D
T
Y
G
F
P
V
D
L
I
D
E
I
A
R
E
K
G
L
G
I
D
L
E
--
G
-
F
Q
C
E
L
E
E
Q
R
E
R
A
R
K
H
----------
P
V
Y
S
H
L
-
K
E
L
G
K
T
S
A
F
V
G
A
A
A
L
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------