@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 : SA1196: (2016-03-23 )
MYNYHLLEDRDVLCIDQKSFFASVSCIEKGLDPLETKLAVVADTKRQGSVILAATPKLKELGIKTGSRLFEIPHRNDIYIINPSMRKYLNVSVAISKIALRYIPPEDLHQYSIDEFFMDVTDSYHRFSSTVHAFCERLKREIYEETGIYCTVGIGSNMLLSKIAMDVEAKHSQNGIAEWRYQDVPTKLWPIQPLRDFWGINRRTEAKLNKRGIFTIGDLAKYPYKFLKKEFGILGVDMHLHANGIDQSKVREKHKISNPSICKSQILMRDYHFDEAKVVMQELIEDVASRVRARKKVARTIHFAFGYSDEGGVHKQYTLKDPTNLEKDIYKVVMHFADKLCNKQALYRTLSISLSQFINEDERQLSLFEDEYQRKRDECLAKTIDQLHLKYGKGIVSKAVSFTEAGTKHGRLGLMAGHKM
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
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-----------------------------------------------------------MY
N
Y
H
LLEDR
D
V
L
C
ID
Q
K
S
F
F
A
S
V
S
C
I
E
KG------L
D
P
-
L
--
E
T
K
L
A
---
V
V
----ADTKRQG
S
V
I
L
AATP
K
L
K
E
LGIK----TGS
R
L
F
E----I----PH--RN-
D
---
I
Y
I
INP-
S
M
R
K
--
Y
L
N
V
S
V
A
I
S
K
I
A
L
R
Y--I
P
P
E
D
L
H
Q
Y
S
I
D
E
F
F
M
D
V
--
T
D
S
Y
H
R
-------------------
F
S
S
---------------------------------
T
V
H
A
F
C
E
R
L
K
R
E
I
Y
E
ET-G
I
Y
C
T
VGIGS
N
M
L
L
S
K
I
A
M
D
VEAKHSQNGIA
E
W
R
YQD-VPTKLWPIQ
P
L
R
D
F
WGINR
R
T
E
AKLNK--R--G
I
F
T
I
G
D
L
A
K-Y
P
Y
K
F
L
K
K
EFG-
I
-
L
G
V
D
M
H
L
HANGI
D
Q
S
K
----
V
R
E
K
-----HKIS
N
P
S
I
C
K
S
Q
I
L
M
R
D-Y-H------F
D
E
A
K
V
V
M
Q
E
L
I
E
D
V
A
S
R
V
R
A
R
K
K
V
A
R
T
I
H
F
A
F
GYS--D-------------E----G---------------GV
H
K
Q
Y
TLKD-----PT
N
L
E
---
K
D
I
Y
K
V
V
M
H
F
A
D
K
L
--
C
N
K
--
Q
----
A
L
----
Y
R
T
L
S
I
S
L
S
Q
F
I
N
E
D
E
R
Q
L
S
L
F
E
D
E
Y
Q
R
K
R
D
E
C
L
A
K
T
I
D
Q
L
H
L
K
YG
K
G
I
V
S
K
A
V
S
F
T
EAGTKHG
R
L
G
LMAGHKM
25
HHSearch
90.76
19%
-115
- C3 -
3OSN
6
POLI_HUMAN
A:
[25-414]
-----------------------------------------------------------------
A
S
S
R
V
I
V
H
V
D
L
D
C
F
Y
A
Q
V
E
M
I
S
N
P
------
E
L
--
K
--
D
K
P
L
G
---
V
Q
----
Q
K
-----
Y
L
V
V
T
C
N
Y
E
A
R
K
L
G
V
K
----
K
L
M
N
V
R
D
----
A
----
K
E
K
-
C
P
-
Q
---
L
V
L
V
N
G
E
D
L
T
R
--
Y
R
E
M
S
Y
K
V
T
E
L
L
E
E
F
--
S
P
V
--
V
E
R
L
G
F
D
E
N
F
V
D
L
--
T
E
M
V
E
K
R
L
Q
Q
LQSDELSA
V
T
V
S
G
HV
Y
N
N
Q
S
I
N
LLD
V
L
H
I
R
L
L
-------------------
V
G
S
Q
I
A
A
E
M
R
E
A
M
Y
N
Q
L
-
G
L
T
G
C
A
G
V
A
S
N
K
L
L
A
K
L
V
S
G
V
F
K
---
P
N
Q
Q
T
V
L
L
P
E
S
-
C
Q
H
L
I
H
S
L
N
H
I
K
E
I
P
G
I
G
Y
K
T
A
K
C
L
E
A
--
L
--
G
I
N
S
V
R
D
L
Q
T
-
F
S
P
K
I
L
E
K
E
L
G
-
I
S
V
A
Q
R
I
Q
K
L
S
F
G
E
D
N
S
P
----
V
I
L
S
-----
G
--
P
P
Q
S
F
S
E
E
D
S
F
K
K
--
C
S
S
------
E
V
E
A
K
N
K
I
E
E
L
L
A
S
L
L
N
R
V
C
Q
D
G
R
K
P
H
T
V
R
L
I
I
R
R
Y
--
S
-------------
S
E
K
H
Y
G
---------------
R
E
S
R
Q
C
P
I
P
S
HVIQK----
Y
D
V
M
T
P
M
V
D
I
L
M
K
L
F
R
N
M
--
V
N
V
KM
P
----
F
H
----
L
T
L
L
S
V
C
F
C
N
L
K
--------------------------------------------------------------
57
Fugue
87.73
18%
-95
- C3 -
2W7O
5
POLK_HUMAN
A:
[15-501]
KEK
I
N
K
I
I
M
E
A
T
KGS
R
F
Y
G
N
E
L
K
K
E
K
Q
V
N
Q
R
I
E
N
M
M
Q
Q
K
A
Q
IT
S
Q
Q
L
R
K
A
Q
L
Q
V
D
R
F
A
M
E
L
E
Q
S
R
N
L
S
N
T
I
V
H
I
D
M
D
A
F
Y
A
A
V
E
M
R
D
N
--------
P
E
-
L
--
K
D
K
P
I
---
A
V
----
G
S
M
----
S
M
L
S
T
S
N
Y
H
A
R
R
F
G
V
R
----
A
A
M
P
G
F
I
----
A
----
K
R
L
-
C
P
-
Q
---
L
I
I
V
P
P
-
N
F
D
K
--
Y
R
A
V
S
K
E
V
K
E
I
L
A
D
Y
--
D
P
--
N
F
M
A
M
S
L
D
E
A
Y
L
N
I
--
T
K
H
L
E
E
R
Q
NWPEDKRRYFIKQN
S
V
V
F
G
T
---------------------------------
S
A
Q
E
V
V
K
E
I
R
F
R
I
E
Q
K
T
-
T
L
T
A
S
A
G
I
A
P
N
T
M
L
A
K
V
C
S
D
K
N
K
P
N
G
Q
Y
Q
I
L
P
-
N
R
Q
A
-
V
M
D
F
I
K
D
L
-
P
I
R
K
V
S
G
I
G
K
V
T
E
K
M
L
K
A
--
L
--
G
I
I
T
C
T
E
L
Y
Q
-
Q
R
A
L
L
S
L
L
F
S
E
-
T
-
S
W
H
Y
F
L
H
I
S
L
G
L
G
S
T
H
----
L
T
R
D
-----
G
E
--
R
K
S
M
S
V
E
R
T
F
S
E
I
-
N
-
K
------
A
E
E
Q
Y
S
L
C
Q
E
L
C
S
E
L
A
Q
D
L
Q
K
E
R
L
K
G
R
T
V
T
I
K
L
K
N
V
--
N
-------------
F
----
E
---------------
V
K
T
R
A
S
T
V
S
S
-----
V
V
S
T
A
---
E
E
I
F
A
I
A
K
E
L
L
K
T
E
--
I
D
A
--
D
----
F
P
HPLR
L
R
L
M
G
V
R
I
S
S
F
P
N
E
------------------------------------------------------------
12
PsiBlast_PDB
85.03
25%
-80
- C3 -
4F50
3
DPO4_SULAC (first)
A:
[3-342]
----------------------------------------------------------------------
V
I
F
V
D
F
D
Y
F
F
A
Q
V
---
E
E
V
------
L
N
P
Q
Y
--
K
G
K
P
L
---
V
V
C
V
Y
S-----
S
G
A
V
-
A
T
A
N
Y
E
A
R
K
L
G
V
K
----
A
G
M
P
I
I
K
----
A
----
M
Q
--
I
A
-
P
---
S
A
I
Y
V
P
--
M
R
K
--
P
I
Y
E
A
F
S
N
R
I
M
N
L
L
N
--
K
H
A
D
K
I
E
V
A
S
I
D
E
A
Y
L
D
V
--
T
N
K
V
E
G
-------------------
N
F
E
---------------------------------
N
G
I
E
L
A
R
K
I
K
Q
E
I
L
E
K
E
-
K
I
T
V
T
V
G
V
A
P
N
K
I
L
A
K
I
I
A
D
---
K
S
K
P
N
G
L
G
V
I
R
P
T
E
-
V
Q
D
F
L
N
E
L
D
-
I
D
E
I
P
G
I
G
S
V
L
A
R
R
L
N
E
--
L
--
G
I
Q
K
L
R
D
I
L
S
-
K
N
Y
N
E
L
E
K
----
I
-
T
G
K
A
K
A
L
Y
L
L
K
L
A
Q
N
K
Y
S
E
P
V
E
N
K
-----
S
K
I
P
H
G
R
I
V
T
M
K
R
N
S
R
N
----------
L
E
E
I
K
P
Y
L
F
R
A
I
E
E
--
S
Y
Y
K
L
D
K
R
I
P
K
A
I
H
V
V
A
V
T
E
--
D
-------------
L
----
D
---------------
I
V
S
R
G
R
T
F
P
H
-----
G
I
S
K
E
---
T
A
Y
S
E
S
V
K
L
L
Q
K
I
L
--
E
E
D
--
E
----
R
K
----
I
R
R
I
G
V
R
F
S
K
F
I
--------------------------------------------------------------
53
Fugue
83.68
17%
-80
- C3 -
1T3N
2
POLI_HUMAN
A:
[1-388]
-------------------------------------------------------------------
S
R
V
I
V
H
V
D
L
D
C
F
Y
A
Q
V
E
M
I
S
N
--------
P
E
-
L
--
K
D
K
P
L
---
G
V
----
Q
Q
----
K
Y
L
V
V
T
C
N
Y
E
A
R
K
L
G
V
K
----
K
L
M
N
V
R
D
----
A
----
K
E
K
C
P
Q
-
L
---
V
L
V
N
G
E
-
D
L
T
R
--
Y
R
E
M
S
Y
K
V
T
E
L
L
E
E
F
--
S
P
V
--
V
E
R
L
G
F
D
E
N
F
V
D
L
--
T
E
M
V
E
K
-------------------
R
L
Q
Q
LQSDELSA
V
T
V
S
G
HVYNN
Q
S
I
N
LLD
V
L
H
I
R
L
L
V
G
S
Q
I
A
A
E
M
R
E
A
M
Y
N
Q
L
-
G
L
T
G
C
A
G
V
A
S
N
K
L
L
A
K
L
V
S
G
V
F
K
P
---
N
Q
Q
T
V
L
L
P
E
S
-
C
Q
H
L
I
H
S
L
N
H
I
K
E
I
P
G
I
G
Y
K
T
A
K
C
L
E
A
--
L
--
G
I
N
S
V
R
D
L
Q
T
-
F
S
P
K
I
L
E
K
E
L
G
-
I
S
V
A
Q
R
I
Q
K
L
S
F
G
E
D
N
S
P
----
V
I
L
S
-----
G
P
--
P
Q
S
F
S
E
E
D
S
F
K
K
C
-
S
-
S
------
E
V
E
A
K
N
K
I
E
E
L
L
A
S
L
L
N
R
V
C
Q
D
G
R
K
P
H
T
V
R
L
I
I
R
R
Y
--
S
-------------
S
----
E
---------------
K
H
Y
G
R
E
-------------------------------------------------------
S
R
Q
C
P
I
P
S
H
V
I
Q
K
L
G
T
G
N
Y
D
V
M
T
P
M
V
D
I
L
M
K
L
F
R
N
M
V
N
V
K
M
P
F
H
L
T
L
L
S
V
C
F
C
N
L
K
------------
52
Fugue
81.75
17%
-89
- C3 -
2AQ4
5
REV1_YEAST
A:
[1-434]
-----------------KRIVACDDPD
F
L
T
S
Y
F
A
H
S
R
L
H
H
L
S
A
W
K
A
N
L
K
D
K
F
L
N
E
N
I
HK
Y
T
K
I
T
D
K
D
T
Y
I
I
F
H
I
D
F
D
C
F
F
A
T
V
A
Y
L
C
R
S
------
S
S
F
-
S
--
A
C
D
F
K
R
D
P
I
V
----
V
C
H
G
T
K
N
S
D
I
A
S
C
N
Y
V
A
R
S
Y
G
I
K
----
N
G
M
W
V
S
Q
----
A
E
K
M
L
P
N
--
G
I
-
K
---
L
I
S
L
P
Y
-
T
F
E
Q
--
F
Q
L
K
S
E
A
F
Y
S
T
L
K
R
L
--
N
I
F
N
L
I
L
P
I
S
I
D
E
A
V
C
V
R
--
I
I
P
D
-----------------------
T
---------------------------------
L
N
A
R
L
C
E
E
I
R
Q
E
I
F
Q
G
T
N
G
C
T
V
S
I
G
C
S
D
S
L
V
L
A
R
L
A
L
K
M
A
K
P
---
N
G
Y
N
I
T
F
K
S
N
-
L
S
E
E
F
W
S
S
F
K
L
D
D
L
P
G
V
G
H
S
T
L
S
R
L
E
S
T
F
D
--
S
P
H
S
L
N
D
L
R
K
R
Y
T
L
D
A
L
K
A
S
V
G
-
S
K
L
G
M
K
I
H
L
A
L
Q
G
Q
D
D
E
E
----
S
L
K
I
-----
L
Y
D
P
K
E
V
L
Q
R
K
S
L
S
I
D
I
-
N
-
W
GIRFKN
I
T
Q
V
D
L
F
I
E
R
G
C
Q
Y
L
L
E
K
L
N
E
I
N
K
T
T
S
Q
I
T
L
K
L
M
R
R
--
C
-------------
K
----
D
APIEPPKYMGM
G
R
C
D
S
F
S
R
S
S
R
L
G
I
-----
P
T
N
E
F
---
G
I
I
A
T
E
M
K
S
L
Y
R
T
L
--
G
C
P
--
P
----
M
E
----
L
R
G
L
A
L
Q
F
N
K
L
V
D
V
------------------------------------------------------------
24
HHSearch
79.16
18%
-98
- C3 -
2AQ4
5
REV1_YEAST
A:
[47-433]
---------------------------------------------------------------
T
D
K
D
T
Y
I
I
F
H
I
D
F
D
C
F
F
A
T
V
A
Y
L
C
R
S
SSFSAC
D
F
--
K
--
R
D
P
I
V
---
V
C
----
H
G
T
--
K
N
S
D
I
A
S
C
N
Y
V
A
R
S
Y
G
I
K
----
N
G
M
W
V
S
Q
----
A
----
E
K
M
-
L
P
-
N
G
I
K
L
I
S
L
P
Y
-
T
F
E
Q
--
F
Q
L
K
S
E
A
F
Y
S
T
L
K
R
L
NI
F
N
L
--
I
L
P
I
S
I
D
E
A
V
C
V
R
I
I
P
D
-------------------------
T
---------------------------------
L
N
A
R
L
C
E
E
I
R
Q
E
I
F
Q
G
T
N
G
C
T
V
S
I
G
C
S
D
S
L
V
L
A
R
L
A
L
K
M
A
K
---
P
N
G
Y
N
I
T
F
K
S
N
L
S
E
E
F
W
S
S
F
-
K
L
D
D
L
P
G
V
G
H
S
T
L
S
R
L
E
S
--
T
F
D
S
P
H
S
L
N
D
L
R
K
R
Y
T
L
D
A
L
K
A
S
V
G
-
S
K
L
G
M
K
I
H
L
A
L
Q
G
Q
D
D
E
E
----
S
L
K
I
LYD
P
K
E
V
L
Q
R
K
S
L
S
I
D
I
N
W
G
I
R
-
F
K
N
------
I
T
Q
V
D
L
F
I
E
R
G
C
Q
Y
L
L
E
K
L
N
E
I
N
K
T
T
S
Q
I
T
L
K
L
M
R
R
CK
D
APIEPPKYMGM
G
R
C
----
D
---------------
S
F
S
R
S
S
R
L
G
I
-----
P
T
N
E
F
---
G
I
I
A
T
E
M
K
S
L
Y
R
T
L
--
G
C
P
--
P
----
M
E
----
L
R
G
L
A
L
Q
F
N
K
L
V
D
-------------------------------------------------------------
4
PsiBlast_PDB
79.15
25%
-78
- C3 -
4R8U
4
DPO4_ECOLI
A:
[2-274]
--------------------------------------------------------------------
R
K
I
I
H
V
D
M
D
C
F
F
A
A
V
---
E
M
R
------
D
N
P
-
A
LR
D
I
P
I
A
---
I
G
----
G
S
R
E
R
R
G
V
I
S
T
A
N
Y
P
A
-
R
K
F
G
V
R
SAMP
T
G
M
A
L
K
L
----
C
----
P
H
---------
L
T
L
L
P
G
-
R
F
D
A
--
Y
K
E
A
S
N
H
I
R
E
I
F
S
R
Y
--
T
--
S
R
I
E
P
L
S
L
D
E
A
Y
L
D
V
--
T
D
S
V
H
C
-------------------
H
G
S
---------------------------------
A
T
-
L
I
A
Q
E
I
R
Q
T
I
F
N
E
L
-
Q
L
T
A
S
A
G
V
A
P
V
K
F
L
A
K
I
A
S
D
M
N
K
P
N
G
Q
F
V
I
T
P
---
A
E
-
V
P
A
F
L
Q
T
L
-
P
L
A
K
I
P
G
V
G
K
V
S
A
A
K
L
E
A
--
M
--
G
L
R
T
C
G
D
V
Q
K
-
C
D
L
V
M
L
L
K
R
F
G
-
K
-
F
G
R
I
L
W
E
R
S
Q
G
I
D
E
R
D
----
V
N
S
E
-----
R
--
L
R
K
S
V
G
V
E
R
T
M
A
E
D
I
H
-
H
------
W
S
E
C
E
A
I
I
E
R
L
Y
P
E
L
E
R
R
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
78.48
29%
-110
- C3 -
2ASL
3
DPO4_SULSO
A:
[11-226]
----------------------------------------------------------------------
V
L
F
V
D
F
D
Y
F
Y
A
Q
V
---
E
E
V
------
L
N
P
S
L
--
K
G
K
P
V
---
V
V
C
V
F
-
S
G
R
F
E
D
S
G
A
V
A
T
A
N
Y
E
A
R
K
F
G
V
K
----
A
G
I
P
I
V
E
A
K
K
I
L
----
P
----
N
-
A
---
V
Y
L
----
P
M
R
K
E
V
Y
Q
Q
V
S
S
R
I
M
N
L
L
R
E
Y
----
S
E
K
I
E
I
A
S
I
D
E
A
Y
L
D
I
--
S
D
K
V
R
D
-------------------
Y
R
E
---------------------------------
A
Y
N
L
G
L
E
-
I
K
N
K
I
L
E
K
E
-
K
I
T
V
T
V
G
I
S
K
N
K
V
F
A
K
I
A
A
D
M
---
A
K
P
N
G
I
K
V
I
D
D
E
E
-
V
K
R
L
I
R
E
L
D
-
I
A
D
V
P
G
I
G
N
I
T
A
E
K
L
K
K
--
L
--
G
I
N
K
L
V
D
T
L
S
-
I
E
F
D
K
L
K
G
M
I
G
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
56
Fugue
78.36
17%
-87
- C3 -
2OH2
4
POLK_HUMAN
A:
[15-499]
KE
K
I
N
K
I
I
M
E
A
T
KGS
R
F
Y
G
N
E
L
K
K
E
K
Q
V
N
Q
R
I
E
N
M
M
Q
Q
K
A
Q
IT
S
Q
Q
L
R
K
A
Q
L
Q
V
D
R
F
A
M
E
L
E
Q
S
R
N
L
S
N
T
I
V
H
I
D
M
D
A
F
Y
A
A
V
E
M
R
D
---------
N
P
-
E
--
L
K
D
K
P
---
I
A
----
V
G
S
M
---
S
M
L
S
T
S
N
Y
H
A
R
R
F
G
V
R
----
A
A
M
P
G
F
I
----
A
----
K
R
L
-
C
P
-
Q
---
L
I
I
V
P
P
-
N
F
D
K
--
Y
R
A
V
S
K
E
V
K
E
I
L
A
D
Y
----
D
P
N
F
M
A
M
S
L
D
E
A
Y
L
N
I
--
T
K
H
L
E
E
R
Q
N
WPEDKR
R
Y
F
I
KN
S
V
V
-
F
G
T
---------------------------------
S
A
Q
E
V
V
K
E
I
R
F
R
I
E
Q
K
T
-
T
L
T
A
S
A
G
I
A
P
N
T
M
L
A
K
V
C
S
D
K
N
K
P
N
G
Q
Y
Q
I
L
P
-
N
R
Q
A
-
V
M
D
F
I
-
K
D
L
P
I
R
K
V
S
G
I
G
K
V
T
E
K
M
L
K
A
--
L
--
G
I
I
T
C
T
E
L
Y
Q
-
Q
R
A
L
L
S
L
L
F
S
E
-
T
-
S
W
H
Y
F
L
H
I
S
L
G
L
G
S
T
H
----
L
T
R
D
-----
G
E
--
R
K
S
M
S
V
E
R
T
F
S
E
I
-
N
-
K
------
A
E
E
Q
Y
S
L
C
Q
E
L
C
S
E
L
A
Q
D
L
Q
K
E
R
L
K
G
R
T
V
T
I
K
L
K
N
V
--
N
-------------
F
----
E
---------------
V
K
T
R
A
S
T
V
S
S
-----
V
V
S
T
A
---
E
E
I
F
A
I
A
K
E
L
L
K
T
E
--
I
D
A
--
D
FPHP
L
R
----
L
R
L
M
G
V
R
I
S
S
F
P
--------------------------------------------------------------
2
PsiBlast_PDB
78.31
25%
-78
- C3 -
4IR9
5
DPO4_ECOLI
F:
[3-275]
--------------------------------------------------------------------
R
K
I
I
H
V
D
M
D
C
F
F
A
A
V
---
E
M
R
------
D
N
P
-
A
LR
D
I
P
I
A
---
I
G
----
G
S
R
E
R
R
G
V
I
S
T
A
N
Y
P
A
-
R
K
F
G
V
R
SAMP
T
G
M
A
L
K
L
----
C
----
P
H
---------
L
T
L
L
P
G
-
R
F
D
A
--
Y
K
E
A
S
N
H
I
R
E
I
F
S
R
Y
--
T
--
S
R
I
E
P
L
S
L
D
E
A
Y
L
D
V
--
T
D
S
V
H
C
-------------------
H
G
S
---------------------------------
A
T
-
L
I
A
Q
E
I
R
Q
T
I
F
N
E
L
-
Q
L
T
A
S
A
G
V
A
P
V
K
F
L
A
K
I
A
S
D
M
N
K
P
N
G
Q
F
V
I
T
P
---
A
E
-
V
P
A
F
L
Q
T
L
-
P
L
A
K
I
P
G
V
G
K
V
S
A
A
K
L
E
A
--
M
--
G
L
R
T
C
G
D
V
Q
K
-
C
D
L
V
M
L
L
K
R
F
G
-
K
-
F
G
R
I
L
W
E
R
S
Q
G
I
D
E
R
D
----
V
N
S
E
-----
R
--
L
R
K
S
V
G
V
E
R
T
M
A
E
D
I
H
-
H
------
W
S
E
C
E
A
I
I
E
R
L
Y
P
E
L
E
R
R
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
78.22
25%
-79
- C3 -
4IR1
5
DPO4_ECOLI
F:
[3-275]
--------------------------------------------------------------------
R
K
I
I
H
V
D
M
D
C
F
F
A
A
V
---
E
M
R
------
D
N
P
-
A
LR
D
I
P
I
A
---
I
G
----
G
S
R
E
R
R
G
V
I
S
T
A
N
Y
P
A
-
R
K
F
G
V
R
SAMP
T
G
M
A
L
K
L
----
C
----
P
H
---------
L
T
L
L
P
G
-
R
F
D
A
--
Y
K
E
A
S
N
H
I
R
E
I
F
S
R
Y
--
T
--
S
R
I
E
P
L
S
L
D
E
A
Y
L
D
V
--
T
D
S
V
H
C
-------------------
H
G
S
---------------------------------
A
T
-
L
I
A
Q
E
I
R
Q
T
I
F
N
E
L
-
Q
L
T
A
S
A
G
V
A
P
V
K
F
L
A
K
I
A
S
D
M
N
K
P
N
G
Q
F
V
I
T
P
---
A
E
-
V
P
A
F
L
Q
T
L
-
P
L
A
K
I
P
G
V
G
K
V
S
A
A
K
L
E
A
--
M
--
G
L
R
T
C
G
D
V
Q
K
-
C
D
L
V
M
L
L
K
R
F
G
-
K
-
F
G
R
I
L
W
E
R
S
Q
G
I
D
E
R
D
----
V
N
S
E
-----
R
--
L
R
K
S
V
G
V
E
R
T
M
A
E
D
I
H
-
H
------
W
S
E
C
E
A
I
I
E
R
L
Y
P
E
L
E
R
R
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
51
Fugue
78.09
22%
-94
- C3 -
1K1Q
-
DPO4_SULSF
A:
[1-344]
--------------------------------------------------------------------
M
I
V
I
F
V
D
F
D
Y
F
F
A
Q
V
E
E
V
L
N
--------
P
Q
-
Y
--
K
G
K
P
L
---
V
V
----
S
--------
V
Y
S
A
N
Y
E
A
R
K
L
G
V
K
----
A
G
M
P
I
I
K
----
A
----
M
Q
--
I
A
P
S
---
A
I
Y
V
P
M
-
R
K
P
I
--
Y
E
A
F
S
N
R
I
M
N
L
L
N
K
H
--
A
D
--
K
I
E
V
A
S
I
D
E
A
Y
L
D
V
--
T
N
K
V
E
G
-------------------
N
F
E
---------------------------------
N
G
I
E
L
A
R
K
I
K
Q
E
I
L
E
K
E
-
K
I
T
V
T
V
G
V
A
P
N
K
I
L
A
K
I
I
A
D
---
K
S
K
P
N
G
L
G
V
I
R
P
T
E
-
V
Q
D
F
L
N
E
L
-
D
I
D
E
I
P
G
I
G
S
V
L
A
R
R
L
N
E
--
L
--
G
I
Q
K
L
R
D
I
L
S
-
K
N
Y
N
E
L
E
K
I
T
G
K
A
-
K
A
L
Y
L
L
K
L
A
Q
N
K
Y
S
E
P
----
V
E
N
K
-----
S
K
---
I
P
H
G
R
Y
L
T
L
P
Y
N
-
T
-
R
--------
D
V
K
V
I
L
P
Y
L
K
K
A
I
N
E
A
Y
N
K
V
N
G
I
P
M
R
I
T
V
I
A
I
M
E
--
D
-------------
L
----
D
---------------
I
L
S
K
G
K
K
F
K
H
-----
G
I
S
-
I
---
D
N
A
Y
K
V
A
E
D
L
L
R
E
L
L
V
R
D
K
--
R
----
R
N
----
V
R
R
I
G
V
K
L
D
N
I
I
I
N
------------------------------------------------------------
15
PsiBlast_PDB
78.06
29%
-109
- C3 -
2ASJ
3
DPO4_SULSO
A:
[11-226]
----------------------------------------------------------------------
V
L
F
V
D
F
D
Y
F
Y
A
Q
V
---
E
E
V
------
L
N
P
S
L
--
K
G
K
P
V
---
V
V
C
V
F-
S
G
R
F
E
D
S
G
A
V
A
T
A
N
Y
E
A
R
K
F
G
V
K
----
A
G
I
P
I
V
E
A
K
K
I
L
----
P
----
N
-
A
---
V
Y
L
----
P
M
R
K
E
V
Y
Q
Q
V
S
S
R
I
M
N
L
L
R
E
Y
----
S
E
K
I
E
I
A
S
I
D
E
A
Y
L
D
I
--
S
D
K
V
R
D
-------------------
Y
R
E
---------------------------------
A
Y
N
L
G
L
E
-
I
K
N
K
I
L
E
K
E
-
K
I
T
V
T
V
G
I
S
K
N
K
V
F
A
K
I
A
A
D
M
---
A
K
P
N
G
I
K
V
I
D
D
E
E
-
V
K
R
L
I
R
E
L
D
-
I
A
D
V
P
G
I
G
N
I
T
A
E
K
L
K
K
--
L
--
G
I
N
K
L
V
D
T
L
S
-
I
E
F
D
K
L
K
G
M
I
G
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
77.81
25%
-79
- C3 -
4IRK
5
DPO4_ECOLI
B:
[3-275]
--------------------------------------------------------------------
R
K
I
I
H
V
D
M
D
C
F
F
A
A
V
---
E
M
R
------
D
N
P
-
A
LR
D
I
P
I
A
---
I
G
----
G
S
R
E
R
R
G
V
I
S
T
A
N
Y
P
A
-
R
K
F
G
V
R
SAMP
T
G
M
A
L
A
L
----
C
----
P
H
---------
L
T
L
L
P
G
-
R
F
D
A
--
Y
K
E
A
S
N
H
I
R
E
I
F
S
R
Y
--
T
--
S
R
I
E
P
L
S
L
D
E
A
Y
L
D
V
--
T
D
S
V
H
C
-------------------
H
G
S
---------------------------------
A
T
-
L
I
A
Q
E
I
R
Q
T
I
F
N
E
L
-
Q
L
T
A
S
A
G
V
A
P
V
K
F
L
A
K
I
A
S
D
M
N
K
P
N
G
Q
F
V
I
T
P
---
A
E
-
V
P
A
F
L
Q
T
L
-
P
L
A
K
I
P
G
V
G
K
V
S
A
A
K
L
E
A
--
M
--
G
L
R
T
C
G
D
V
Q
A
-
C
D
L
V
M
L
L
K
R
F
G
-
K
-
F
G
R
I
L
W
E
R
S
Q
G
I
D
E
R
D
----
V
N
S
E
-----
R
--
L
R
K
S
V
G
V
E
R
T
M
A
E
D
I
H
-
H
------
W
S
E
C
E
A
I
I
E
R
L
Y
P
E
L
E
R
R
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
77.80
29%
-108
- C3 -
2IMW
8
DPO4_SULSO
P:
[3-218]
----------------------------------------------------------------------
V
L
F
V
D
F
D
Y
F
Y
A
Q
V
---
E
E
V
------
L
N
P
S
L
--
K
G
K
P
V
---
V
V
CVF-
S
G
R
F
E
D
S
G
A
V
A
T
A
N
Y
E
A
R
K
F
G
V
K
----
A
G
I
P
I
V
E
AKKI
L
----
P
----
N
-
A
---
V
Y
L
----
P
M
R
K
EV
Y
Q
Q
V
S
S
R
I
M
N
L
L
R
E
Y
----
S
E
K
I
E
I
A
S
I
D
E
A
Y
L
D
I
--
S
D
K
V
R
D
-------------------
Y
R
E
---------------------------------
A
Y
N
L
G
L
E
-
I
K
N
K
I
L
E
K
E
-
K
I
T
V
T
V
G
I
S
K
N
K
V
F
A
K
I
A
A
D
M
---
A
K
P
N
G
I
K
V
I
D
D
E
E
-
V
K
R
L
I
R
E
L
D
-
I
A
D
V
P
G
I
G
N
I
T
A
E
K
L
K
K
--
L
--
G
I
N
K
L
V
D
T
L
S
-
I
E
F
D
K
L
K
G
M
I
G
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
77.80
25%
-79
- C3 -
4Q44
6
DPO4_ECOLI
A:
[3-275]
--------------------------------------------------------------------
R
K
I
I
H
V
D
M
D
C
F
F
A
A
V
---
E
M
R
------
D
N
P
-
A
LR
D
I
P
I
A
---
I
G
----
G
S
R
E
R
R
G
V
I
S
T
A
N
Y
P
A
-
R
K
F
G
V
R
SAMP
T
G
M
A
L
A
L
----
C
----
P
H
---------
L
T
L
L
P
G
-
R
F
D
A
--
Y
K
E
A
S
N
H
I
R
E
I
F
S
R
Y
--
T
--
S
R
I
E
P
L
S
L
D
E
A
Y
L
D
V
--
T
D
S
V
H
C
-------------------
H
G
S
---------------------------------
A
T
-
L
I
A
Q
E
I
R
Q
T
I
F
N
E
L
-
Q
L
T
A
S
A
G
V
A
P
V
K
F
L
A
K
I
A
S
D
M
N
K
P
N
G
Q
F
V
I
T
P
---
A
E
-
V
P
A
F
L
Q
T
L
-
P
L
A
K
I
P
G
V
G
K
V
S
A
A
K
L
E
A
--
M
--
G
L
R
T
C
G
D
V
Q
A
-
C
D
L
V
M
L
L
K
R
F
G
-
K
-
F
G
R
I
L
W
E
R
S
Q
G
I
D
E
R
D
----
V
N
S
E
-----
R
--
L
R
K
S
V
G
V
E
R
T
M
A
E
D
I
H
-
H
------
W
S
E
C
E
A
I
I
E
R
L
Y
P
E
L
E
R
R
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
77.76
25%
-77
- C3 -
4Q45
5
DPO4_ECOLI
F:
[3-275]
--------------------------------------------------------------------
R
K
I
I
H
V
D
M
D
C
F
F
A
A
V
---
E
M
R
------
D
N
P
-
A
LR
D
I
P
I
A
---
I
G
----
G
S
R
E
R
R
G
V
I
S
T
A
N
Y
P
A
-
R
K
F
G
V
R
SAMP
T
G
M
A
L
A
L
----
C
----
P
H
---------
L
T
L
L
P
G
-
R
F
D
A
--
Y
K
E
A
S
N
H
I
R
E
I
F
S
R
Y
--
T
--
S
R
I
E
P
L
S
L
D
E
A
Y
L
D
V
--
T
D
S
V
H
C
-------------------
H
G
S
---------------------------------
A
T
-
L
I
A
Q
E
I
R
Q
T
I
F
N
E
L
-
Q
L
T
A
S
A
G
V
A
P
V
K
F
L
A
K
I
A
S
D
M
N
K
P
N
G
Q
F
V
I
T
P
---
A
E
-
V
P
A
F
L
Q
T
L
-
P
L
A
K
I
P
G
V
G
K
V
S
A
A
K
L
E
A
--
M
--
G
L
R
T
C
G
D
V
Q
A
-
C
D
L
V
M
L
L
K
R
F
G
-
K
-
F
G
R
I
L
W
E
R
S
Q
G
I
D
E
R
D
----
V
N
S
E
-----
R
--
L
R
K
S
V
G
V
E
R
T
M
A
E
D
I
H
-
H
------
W
S
E
C
E
A
I
I
E
R
L
Y
P
E
L
E
R
R
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
77.49
25%
-82
- C3 -
4Q43
7
DPO4_ECOLI
A:
[3-275]
--------------------------------------------------------------------
R
K
I
I
H
V
D
M
D
C
F
F
A
A
V
---
E
M
R
------
D
N
P
-
A
LR
D
I
P
I
A
---
I
G
----
G
S
R
E
R
R
G
V
I
S
T
A
N
Y
P
A
-
R
K
F
G
V
R
SAMP
T
G
M
A
L
K
L
----
C
----
P
H
---------
L
T
L
L
P
G
-
R
F
D
A
--
Y
K
E
A
S
N
H
I
R
E
I
F
S
R
Y
--
T
--
S
R
I
E
P
L
S
L
D
E
A
Y
L
D
V
--
T
D
S
V
H
C
-------------------
H
G
S
---------------------------------
A
T
-
L
I
A
Q
E
I
R
Q
T
I
F
N
E
L
-
Q
L
T
A
S
A
G
V
A
P
V
K
F
L
A
K
I
A
S
D
M
N
K
P
N
G
Q
F
V
I
T
P
---
A
E
-
V
P
A
F
L
Q
T
L
-
P
L
A
K
I
P
G
V
G
K
V
S
A
A
K
L
E
A
--
M
--
G
L
R
T
C
G
D
V
Q
K
-
C
D
L
V
M
L
L
K
R
F
G
-
K
-
F
G
R
I
L
W
E
R
S
Q
G
I
D
E
R
D
----
V
N
S
E
-----
R
--
L
R
K
S
V
G
V
E
R
T
M
A
E
D
I
H
-
H
------
W
S
E
C
E
A
I
I
E
R
L
Y
P
E
L
E
R
R
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
77.46
29%
-112
- C3 -
2ASD
7
DPO4_SULSO
A:
[11-226]
----------------------------------------------------------------------
V
L
F
V
D
F
D
Y
F
Y
A
Q
V
---
E
E
V
------
L
N
P
S
L
--
K
G
K
P
V
---
V
V
C
V
F
-
S
G
R
F
E
D
S
G
A
V
A
T
A
N
Y
E
A
R
K
F
G
V
K
----
A
G
I
P
I
V
E
A
K
K
I
L
----
P
----
N
-
A
---
V
Y
L
----
P
M
R
K
E
V
Y
Q
Q
V
S
S
R
I
M
N
L
L
R
E
Y
----
S
E
K
I
E
I
A
S
I
D
E
A
Y
L
D
I
--
S
D
K
V
R
D
-------------------
Y
R
E
---------------------------------
A
Y
N
L
G
L
E
-
I
K
N
K
I
L
E
K
E
-
K
I
T
V
T
V
G
I
S
K
N
K
V
F
A
K
I
A
A
D
M
---
A
K
P
N
G
I
K
V
I
D
D
E
E
-
V
K
R
L
I
R
E
L
D
-
I
A
D
V
P
G
I
G
N
I
T
A
E
K
L
K
K
--
L
--
G
I
N
K
L
V
D
T
L
S
-
I
E
F
D
K
L
K
G
M
I
G
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
77.13
29%
-111
- C3 -
4QWB
11
DPO4_SULSO
A:
[3-218]
----------------------------------------------------------------------
V
L
F
V
D
F
D
Y
F
Y
A
Q
V
---
E
E
V
------
L
N
P
S
L
--
K
G
K
P
V
---
V
V
C
V
F
-
S
G
R
F
E
D
S
G
A
V
A
T
A
N
Y
E
A
R
K
F
G
V
K
----
A
G
I
P
I
V
E
A
K
K
I
L
----
P
----
N
-
A
---
V
Y
L
----
P
M
R
K
E
V
Y
Q
Q
V
S
S
R
I
M
N
L
L
R
E
Y
----
S
E
K
I
E
I
A
S
I
D
E
A
Y
L
D
I
--
S
D
K
V
R
D
-------------------
Y
R
E
---------------------------------
A
Y
N
L
G
L
E
-
I
K
N
K
I
L
E
K
E
-
K
I
T
V
T
V
G
I
S
K
N
K
V
F
A
K
I
A
A
D
M
---
A
K
P
N
G
I
K
V
I
D
D
E
E
-
V
K
R
L
I
R
E
L
D
-
I
A
D
V
P
G
I
G
N
I
T
A
E
K
L
K
K
--
L
--
G
I
N
K
L
V
D
T
L
S
-
I
E
F
D
K
L
K
G
M
I
G
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------