@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 : PA0176: (2015-12-25 )
MGLFNAHAVAQQRADRIATLLQSFADGQLDTAVGEAPAPGYERLYDSLRALQRQLREQRAELQQVESLEAGLAEMSRQHEAGWIDQTIPAERLEGRAARIAKGVNELVAAHIAVKMKVVSVVTAYGQGNFEPLMDRLPGKKAQITEAIDGVRERLRGAAEATSAQLATAAYNARIKSALDNVSANVMIADNDLNIIYMNRTVSEMLGRAEADIRKQLPNFDAGRLMGANIDVFHKNPAHQRHLLANLTGVHKAELNLGGRRFSLDVVPVFNDANERLGSAVQWTDRTEEHRAEQEVSQLVQAAAAGDFSKRVEEAGKEGFFLRLAKDLNSLVDTADRGLRDVSRMLGALAQGDLTQRIEADYQGTFGQLKDFSNDTAQSLSRMLGQIREAADTINTAASEIASGNAELSARTEQQASSLEETASSMEELTSTVKLNAENARQANSLAANASEVATQGGTVVQKVVSTMSSINESARKIADIIGVIDGIAFQTNILALNAAVEAARAGEQGRGFAVVAGEVRTLAQRSAAAAKEIKTLISDSVDKVENGNTLVAQAGQTMSDIVVAIRRVTDIMSEIAAASAEQSTGIEEVNSAVSQMDDMTQQNAALVEEAAAAAEAMQEQAGLLNQSVAVFRLDTPPSVVQLASARPSAPRPSAPAPLARSGMARASKARKEDGWEEF
Atome Classification :
(20 SA)
---------------------------------.........10........20........30........40..-......50...-----------.....60........70........-80........90........100.......110-.........120.......130.......140.....-----------..150.......---160.......170.......180.......190.......200.......210.......220------------.........230.......240.......---------------..250.......260.......270......----.280.......290.......300...-----------------------....310.......320....-------...330......------.340.......350-------.......-.360.......370.......380.......390..-----.....400...-------....410.......420.......430.......440.......450.......460...-------....470....--------------...480.......490....-...500.......510.......520.......530..----....--------------.540...--------------....---550.....-..560.......570.......580-......--------------..590.......600.......610---------.......----620.......630.......640.......650.......660.......670.......----------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
---------------------------------MGL
F
N
A
H
A
V
A
Q
Q
R
A
D
R
I
A
T
L
L
Q
S
F
ADGQLDTAVGEAPAP
G
Y
E
R
-
L
Y
D
S
L
R
A
L
Q
R
Q
-----------
L
R
E
Q
R
A
E
L
Q
Q
V
E
S
L
E
A
G
L
A
E
M
S
R
Q
H-EAGWIDQTI
P
A
E
R
LE
G
R
A
A
R
I
A
K
G
V
N
E
L
V
A
A
---
H
I
A
V
K
M
K
V
V
S
V
V
T
AYGQG
N
F
E
P
L
M
D
RLPGK
K
A
Q
I
T
E
A
-----------
I
D
G
V
R
E
R
L
R
GAA---EA
T
S
A
Q
L
A
T
A
A
Y
N
A
R
I
K
S
A
L
DNVSA
N
V
M
I
ADND
L
N
I
I
Y
MN
R
T
V
S
E
M
L
G
R
A
E
A
D
I
R
K
QLPNF--------------DAG
R
L
MG
A
N
I
D
V
F
HKNP
A
H
Q
--
R
H
L
L
A
N
L
---------------TG
V
H
K
A
E
LNLGG
R
R
F
S
L
D
V
V
PVFN
D
A
N
E
RLG----S
A
V
QWTD
R
T
E
E
H
R
A
E
Q
E
V
S
Q
L
V
Q
A
A
AA-----------------------G
D
F
S
K
R
V
E
E
AGKE
G
F
F
L
R
L
A
K
-------
D
L
N
S
L
V
D
T
A
D
R
G
------
L
R
D
V
S
R
M
L
G
A
L
AQ--------
G
D
L
T
Q
R
I
-
E
ADYQGT
F
G
Q
L
K
DFSN
D
T
A
Q
S
L
S
R
M
L
G
Q
I
R
E
A
A
D
T
I
-----
N
T
A
A
S
E
I
ASGN-------A
E
L
S
A
R
T
E
Q
Q
A
S
S
L
E
E
T
A
S
S
M
E
E
L
T
S
T
V
K
LNAENAR
Q
A
N
S
LAA
N
A
S
E
V
ATQ
G
G
T
V
V
Q
K
V
V
-------
S
T
M
S
S
I
N
E
S
A
R
--------------
K
I
A
D
I
I
G
V
IDGIAFQ
T
N
I
L
A
-
L
N
A
A
V
E
A
A
RAGEQGR
G
F
A
V
V
A
G
E
V
R
T
L
A
Q
R
S
A
A
A
A
K
E
I
----
K
T
L
I
--------------
S
D
S
V
D
KV--------------ENG
N
---
T
L
V
AQAGQ-
T
M
S
D
I
V
V
A
I
R
R
V
T
D
I
M
S
E
I
A
AASA--EQST
G
I
--------------
E
E
V
N
S
A
V
S
Q
M
D
D
M
T
Q
Q
N
A
A
L
V
E
E
A
A
---------
A
A
A
E
A
M
Q
----
E
Q
A
G
LLNQ
S
V
A
V
F
R
LDTP
P
S
V
V
Q
L
ASARPSAPRPSAPA
P
L
A
R
S
G
M
A
R
A
S
KARKEDGWEEF----------------------
47
Fugue
81.16
100%
-64
- C2 -
3LNR
3
?
A:
[1-160]
------------------------------GS
H
M
G
L
F
N
A
H
A
V
A
Q
Q
R
A
D
R
I
A
T
L
L
Q
S
F
A
D
G
Q
L
D
T
A
V
G
E
A
P
A
P
G
Y
E
R
-
L
Y
D
S
L
R
A
L
Q
R
Q
-----------
L
R
E
Q
R
A
E
L
Q
Q
V
E
S
L
E
A
G
L
A
E
M
S
R
Q
H
-
E
A
G
W
I
D
Q
T
I
P
A
E
R
L
E
G
R
A
A
R
I
A
K
G
V
N
E
L
V
A
A
---
H
I
A
V
K
M
K
V
V
S
V
V
T
A
Y
G
Q
G
N
F
E
P
L
M
D
R
L
P
G
K
K
A
Q
I
T
E
A
-----------
I
D
G
V
R
E
R
L
R
G
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
80.39
100%
-63
- C2 -
3LNR
3
?
A:
[4-160]
---------------------------------
M
G
L
F
N
A
H
A
V
A
Q
Q
R
A
D
R
I
A
T
L
L
Q
S
F
A
D
G
Q
L
D
T
A
V
G
E
A
P
A
P
G
Y
E
R
-
L
Y
D
S
L
R
A
L
Q
R
Q
-----------
L
R
E
Q
R
A
E
L
Q
Q
V
E
S
L
E
A
G
L
A
E
M
S
R
Q
H
-
E
A
G
W
I
D
Q
T
I
P
A
E
R
L
E
G
R
A
A
R
I
A
K
G
V
N
E
L
V
A
A
---
H
I
A
V
K
M
K
V
V
S
V
V
T
A
Y
G
Q
G
N
F
E
P
L
M
D
R
L
P
G
K
K
A
Q
I
T
E
A
-----------
I
D
G
V
R
E
R
L
R
G
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
79.96
56%
-46
- C2 -
3ZX6
1
MCP1_ECOLI
A:
[3-305]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
I
T
R
P
------
I
I
E
L
S
N
T
V
D
K
I
A
E
--------
G
N
L
E
A
E
V
P
H
Q
N
R
A
D
E
I
G
I
L
A
K
S
I
E
R
L
R
R
S
L
M
R
T
V
G
D
V
R
N
G
A
N
A
I
-----
Y
S
G
A
S
E
I
A
T
G
N
-------
N
D
L
S
S
R
T
E
Q
Q
A
A
S
L
E
E
T
A
A
S
M
E
Q
L
T
A
T
V
K
Q
N
A
E
N
A
R
Q
A
S
H
L
A
L
S
A
S
E
T
A
Q
R
G
G
K
V
V
D
N
V
V
-------
Q
T
M
R
D
I
S
T
S
S
Q
--------------
K
I
A
D
I
I
S
V
I
D
G
I
A
F
Q
T
N
I
L
A
-
L
N
A
A
V
E
A
A
R
A
G
E
Q
G
R
G
F
A
V
V
A
G
E
V
R
N
L
A
Q
R
S
A
Q
A
A
R
E
I
----
K
S
L
I
--------------
E
D
S
V
G
K
V
--------------
D
V
G
S
---
T
L
V
E
S
A
G
E
-
T
M
A
E
I
V
S
A
V
T
R
V
T
D
I
M
G
E
I
A
S
A
S
D
--
E
Q
S
R
G
I
--------------
D
Q
V
G
L
A
V
A
E
M
D
R
V
T
Q
Q
N
A
A
L
V
E
E
S
A
---------
A
A
A
A
A
L
E
----
E
Q
A
S
R
L
T
E
A
V
A
V
F
R
I
Q
------------------------------------------------------------------
4
PsiBlast_PDB
79.32
99%
-60
- C2 -
4I44
1
?
A:
[4-160]
---------------------------------
M
G
L
F
N
A
H
A
V
A
Q
Q
R
A
D
R
I
A
T
L
L
Q
S
F
A
D
G
Q
L
D
T
A
G
G
E
A
P
A
P
G
Y
E
R
-
L
Y
D
S
L
R
A
L
Q
R
Q
-----------
L
R
E
Q
R
A
E
L
Q
Q
V
E
S
L
E
A
G
L
A
E
M
S
R
Q
H
-
E
A
G
W
I
D
Q
T
I
P
A
E
R
L
E
G
R
A
A
R
I
A
K
G
V
N
E
L
V
A
A
---
H
I
A
V
K
M
K
V
V
S
V
V
T
A
Y
G
Q
G
N
F
E
P
L
M
D
R
L
P
G
K
K
A
Q
I
T
E
A
-----------
I
D
G
V
R
E
R
L
R
G
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_CBE
79.20
56%
-36
- C2 -
3ZX6
2
MCP1_ECOLI
B:
[3-304]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
I
T
R
P
------
I
I
E
L
S
N
T
V
D
K
I
A
E
--------
G
N
L
E
A
E
V
P
H
Q
N
R
A
D
E
I
G
I
L
A
K
S
I
E
R
L
R
R
S
L
M
R
T
V
G
D
V
R
N
G
A
N
A
I
-----
Y
S
G
A
S
E
I
A
T
G
N
-------
N
D
L
S
S
R
T
E
Q
Q
A
A
S
L
E
E
T
A
A
S
M
E
Q
L
T
A
T
V
K
Q
N
A
E
N
A
R
Q
A
S
H
L
A
L
S
A
S
E
T
A
Q
R
G
G
K
V
V
D
N
V
V
-------
Q
T
M
R
D
I
S
T
S
S
Q
--------------
K
I
A
D
I
I
S
V
I
D
G
I
A
F
Q
T
N
I
L
A
-
L
N
A
A
V
E
A
A
R
A
G
E
Q
G
R
G
F
A
V
V
A
G
E
V
R
N
L
A
Q
R
S
A
Q
A
A
R
E
I
----
K
S
L
I
--------------
E
D
S
V
G
K
V
--------------
D
V
G
S
---
T
L
V
E
S
A
G
E
-
T
M
A
E
I
V
S
A
V
T
R
V
T
D
I
M
G
E
I
A
S
A
S
D
--
E
Q
S
R
G
I
--------------
D
Q
V
G
L
A
V
A
E
M
D
R
V
T
Q
Q
N
A
A
L
V
E
E
S
A
---------
A
A
A
A
A
L
E
----
E
Q
A
S
R
L
T
E
A
V
A
V
F
R
I
-------------------------------------------------------------------
3
PsiBlast_PDB
77.49
99%
-55
- C2 -
4I3M
5
?
A:
[10-159]
---------------------------------------
H
A
V
A
Q
Q
R
A
D
R
I
A
T
L
L
Q
S
F
A
D
G
Q
L
D
T
A
V
G
E
A
P
A
P
G
Y
E
R
-
H
Y
D
S
L
R
A
L
Q
R
Q
-----------
L
R
E
Q
R
A
E
L
Q
Q
V
E
S
L
E
A
G
L
A
E
M
S
R
Q
H
-
E
A
G
W
I
D
Q
T
I
P
A
E
R
L
E
G
R
A
A
R
I
A
K
G
V
N
E
L
V
A
A
---
H
I
A
V
K
M
K
V
V
S
V
V
T
A
Y
G
Q
G
N
F
E
P
L
M
D
R
L
P
G
K
K
A
Q
I
T
E
A
-----------
I
D
G
V
R
E
R
L
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
76.38
98%
-69
- C1 -
3VOL
2
?
A:
[18-155]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
S
H
M
A
R
I
K
S
A
L
D
N
V
S
A
N
V
M
I
A
D
N
D
L
N
I
I
Y
M
N
R
T
V
S
E
M
L
G
R
A
E
A
D
I
R
K
Q
L
P
N
F
--------------
D
A
G
R
L
M
G
A
N
I
D
V
F
H
K
N
P
A
H
Q
--
R
H
L
L
A
N
L
---------------
T
G
V
H
K
A
E
L
N
L
G
G
R
R
F
S
L
D
V
V
P
V
F
N
D
A
N
E
R
L
G
----
S
A
V
Q
W
T
D
R
T
E
E
H
R
A
E
Q
E
V
S
Q
L
V
Q
A
A
A
A
-----------------------
G
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
45
Fugue
76.20
97%
-69
- C1 -
3VOL
2
?
A:
[18-155]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
S
H
M
A
R
I
K
S
A
L
D
N
V
S
A
N
V
M
I
A
D
N
D
L
N
I
I
Y
M
N
R
T
V
S
E
M
L
G
R
A
E
A
D
I
R
K
Q
L
P
N
F
--------------
D
A
G
R
L
M
G
A
N
I
D
V
F
H
K
N
P
A
H
Q
--
R
H
L
L
A
N
L
---------------
T
G
V
H
K
A
E
L
N
L
G
G
R
R
F
S
L
D
V
V
P
V
F
N
D
A
N
E
R
L
G
----
S
A
V
Q
W
T
D
R
T
E
E
H
R
A
E
Q
E
V
S
Q
L
V
Q
A
A
A
A
-----------------------
G
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
49
Fugue
71.16
17%
-21
* C3 *
4ZUZ
-
?
A:
[7-863]
D
V
I
K
F
K
EPERCDY
L
Y
V
D
ENN
K
V
H
I
L
L
P
IVGGDE
I
G
L
D
N
T
C
----
Q
T
A
V
E
L
I
T
F
F
Y
G
S
A
H
S
G
V
T
K
Y
S
A
E
H
Q
L
S
E
Y
K
R
Q
L
E
E
D
I
K
A
I
N
S
Q
KKISPHAY
D
D
L
L
K
E
K
I
E
R
L
Q
Q
I
E
K
Y
I
E
L
I
Q
V
L
K
K
Q
Y
D
E
Q
N
D
I
R
Q
L
R
T
-----
G
G
I
P
Q
L
P
S
G
V
K
E
I
I
K
S
SEN
A
F
A
V
R
L
------
S
P
Y
D
N
D
K
F
T
R
F
D
D
P
L
F
N
V
K
R
N
I
S
K
Y
DTPSRQ
A
P
I
P
I
Y
E
G
L
G
Y
R
L
R
S
T
L
FPE
D
K
T
P
T
P
I
N
K
K
S
L
R
D
K
V
K
S
T
V
L
S
H
Y
K
D
E
D
R
I
D
G
E
K
K
D
E
K
L
N
E
L
I
T
N
L
Q
N
E
L
V
K
E
L
V
K
S
D
P
Q
Y
SKLSLSKDPRG
K
E
I
N
Y
D
Y
L
V
N
S
L
M
L
V
D
N
D
S
E
I
G
D
W
I
D
T
I
L
D
A
T
VDSTVWAVQASSPFY
Q
G
A
K
E
I
S
S
D
R
D
A
D
K
I
S
I
R
V
Q
Y
L
L
A
E
A
N
I
Y
C
K
T
N
KL
S
D
A
N
F
G
E
F
F
D
K
E
P
H
A
T
E
I
A
K
R
V
K
E
G
F
T
Q
GAD
I
E
P
I
I
Y
D
Y
I
N
S
NHAELGLK
S
P
L
T
G
K
Q
Q
Q
E
I
T
D
K
F
T
K
H
Y
N
T
I
K
ESPHF
D
E
F
F
V
A
D
P
D
K
K
G
N
I
F
S
H
Q
G
R
I
S
C
H
F
L
D
F
F
T
R
Q
T
KGKHPL
G
D
L
A
S
H
Q
-
E
A
L
Q
E
G
T
S
N
R
L
H
H
K
N
E
V
V
A
Q
G
Y
E
K
L
D
Q
F
K
K
E
V
V
K
L
L
A
E
NK
P
K
E
L
L
D
Y
L
V
A
T
S
PTGVPNY
S
M
L
S
K
E
T
Q
N
Y
I
A
Y
N
R
N
W
P
A
I
Q
K
E
L
E
K
A
T
S
I
P
E
S
Q
K
Q
D
L
S
R
L
L
S
R
D
N
L
Q
H
D
N
L
S
A
I
T
W
S
K
Y
-------
S
S
K
P
L
L
D
V
E
L
N
--------------
K
I
A
E
G
L
E
L
T
A
K
I
Y
N
E
K
R
G
R
E
W
W
F
A
G
S
R
N
E
A
R
K
T
Q
C
E
E
L
Q
R
V
S
K
E
I
N
T
L
L
Q
S
E
S
L
T
K
S
Q
V
----
L
E
K
V
--------------
L
N
S
I
E
T
L
--------------
D
K
I
D
---
R
D
I
S
A
E
S
N
W
F
Q
S
T
L
Q
K
E
V
R
L
F
R
D
Q
L
K
D
I
C
Q
L
D
K
Y
Y
F
K
S
T
K
L
--------------
D
E
I
I
S
L
E
M
E
E
Q
F
Q
K
I
Q
D
P
A
V
Q
Q
I
V
R
D
LPSHCHN
D
E
A
I
E
F
F
K
T
L
N
P
E
E
A
A
K
V
A
S
Y
L
S
L
E
Y
R
E
I
N
K
S
T
D
K
K
T
L
L
E
Q
D
I
P
R
L
F
K
E
V
N
T
Q
L
L
S
K
L
K
E
E
K
A
I
D
E
Q
V
H
E
K
L
S
Q
L
ADKIAPEHFT
R
N
N
I
I
K
W
S
T
20
HHSearch
71.05
70%
-31
- C2 -
1QU7
-
MCP1_ECOLI
A:
[298-519]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
A
A
S
L
E
Q
T
A
A
S
M
E
Q
L
T
A
T
V
K
Q
N
A
E
N
A
R
Q
A
S
H
L
A
L
S
A
S
E
T
A
Q
R
G
G
K
V
V
D
N
V
V
-------
Q
T
M
R
D
I
S
T
S
S
Q
--------------
K
I
A
D
I
I
S
V
I
D
G
I
A
F
Q
T
N
I
L
A
-
L
N
A
A
V
E
A
A
R
A
G
E
Q
G
R
G
F
A
V
V
A
G
E
V
R
N
L
A
Q
R
S
A
Q
A
A
R
E
I
----
K
S
L
I
--------------
E
D
S
V
G
K
V
--------------
D
V
G
S
---
T
L
V
E
S
A
G
E
-
T
M
A
E
I
V
S
A
V
T
R
V
T
D
I
M
G
E
I
A
S
A
S
D
--
E
Q
S
R
G
I
--------------
D
Q
V
G
L
A
V
A
E
M
D
R
V
T
Q
Q
N
A
A
L
V
E
Q
S
A
---------
A
A
A
A
A
L
E
----
E
Q
A
S
R
L
T
E
A
V
A
V
F
R
I
Q
Q
-----------------------------------------------------------------
6
PsiBlast_PDB
70.92
71%
-29
- C2 -
1QU7
-
MCP1_ECOLI
A:
[294-517]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
T
E
Q
Q
A
A
S
L
E
Q
T
A
A
S
M
E
Q
L
T
A
T
V
K
Q
N
A
E
N
A
R
Q
A
S
H
L
A
L
S
A
S
E
T
A
Q
R
G
G
K
V
V
D
N
V
V
-------
Q
T
M
R
D
I
S
T
S
S
Q
--------------
K
I
A
D
I
I
S
V
I
D
G
I
A
F
Q
T
N
I
L
A
-
L
N
A
A
V
E
A
A
R
A
G
E
Q
G
R
G
F
A
V
V
A
G
E
V
R
N
L
A
Q
R
S
A
Q
A
A
R
E
I
----
K
S
L
I
--------------
E
D
S
V
G
K
V
--------------
D
V
G
S
---
T
L
V
E
S
A
G
E
-
T
M
A
E
I
V
S
A
V
T
R
V
T
D
I
M
G
E
I
A
S
A
S
D
--
E
Q
S
R
G
I
--------------
D
Q
V
G
L
A
V
A
E
M
D
R
V
T
Q
Q
N
A
A
L
V
E
Q
S
A
---------
A
A
A
A
A
L
E
----
E
Q
A
S
R
L
T
E
A
V
A
V
F
R
I
-------------------------------------------------------------------
44
Fugue
70.85
70%
-30
- C2 -
1QU7
-
MCP1_ECOLI
A:
[294-520]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
T
E
Q
Q
A
A
S
L
E
Q
T
A
A
S
M
E
Q
L
T
A
T
V
K
Q
N
A
E
N
A
R
Q
A
S
H
L
A
L
S
A
S
E
T
A
Q
R
G
G
K
V
V
D
N
V
V
-------
Q
T
M
R
D
I
S
T
S
S
Q
--------------
K
I
A
D
I
I
S
V
I
D
G
I
A
F
Q
T
N
I
L
A
-
L
N
A
A
V
E
A
A
R
A
G
E
Q
G
R
G
F
A
V
V
A
G
E
V
R
N
L
A
Q
R
S
A
Q
A
A
R
E
I
----
K
S
L
I
--------------
E
D
S
V
G
K
V
--------------
D
V
G
S
---
T
L
V
E
S
A
G
E
-
T
M
A
E
I
V
S
A
V
T
R
V
T
D
I
M
G
E
I
A
S
A
S
D
--
E
Q
S
R
G
I
--------------
D
Q
V
G
L
A
V
A
E
M
D
R
V
T
Q
Q
N
A
A
L
V
E
Q
S
A
---------
A
A
A
A
A
L
E
----
E
Q
A
S
R
L
T
E
A
V
A
V
F
R
I
Q
Q
Q
----------------------------------------------------------------
19
PsiBlast_CBE
69.51
95%
-62
- C1 -
4HI4
3
?
B:
[2-119]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
H
M
A
R
I
A
S
A
L
D
N
V
S
A
N
V
M
I
A
D
N
D
L
N
I
I
Y
M
N
R
T
V
S
E
M
L
G
R
A
E
A
D
I
R
K
Q
L
P
N
F
--------------
D
A
G
R
L
M
G
A
N
I
D
V
F
H
K
N
P
A
H
Q
--
R
H
L
L
A
N
L
---------------
T
G
V
H
K
A
E
L
N
L
G
G
R
R
F
S
L
D
V
V
P
V
F
N
D
A
N
A
R
L
G
----
S
A
V
Q
W
T
D
R
T
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
46
Fugue
68.56
30%
-21
- C2 -
2CH7
2
MCP2_THEMA
A:
[1-309]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
S
H
M
K
D
V
Q
T
E
T
F
S
V
A
E
S
I
E
E
I
S
K
A
N
E
E
I
-----
T
N
Q
L
L
G
I
S
K
E
M
-------
D
N
I
S
T
R
I
E
S
I
S
A
S
V
Q
E
T
T
A
G
S
E
E
I
S
S
A
T
K
N
I
A
D
S
A
Q
Q
A
A
S
F
A
D
Q
S
T
Q
L
A
K
E
A
G
D
A
L
K
K
V
I
-------
E
V
T
R
M
I
S
N
S
A
K
D
V
E
R
V
V
E
S
F
Q
K
G
AE
E
I
T
S
F
V
E
T
I
N
A
I
A
E
Q
T
N
L
L
A
-
L
N
A
A
I
E
A
A
R
A
G
E
A
G
R
G
F
A
V
V
A
D
E
I
R
K
L
A
E
E
S
Q
Q
A
S
E
N
V
----
R
R
V
V
--------------
N
E
I
R
S
I
A
E
D
A
G
K
V
S
S
E
I
T
A
R
V
E
E
G
T
---
K
L
A
D
E
A
D
E
-
K
L
N
S
I
V
G
A
V
E
R
I
N
E
M
L
Q
N
I
A
A
A
I
E
--
E
Q
T
A
A
V
--------------
D
E
I
T
T
A
M
T
E
N
A
K
N
A
E
E
I
T
N
S
V
K
E
V
N
---------
A
R
L
Q
E
I
S
----
A
S
T
E
E
V
T
S
R
V
Q
T
I
R
E
N
V
Q
M
L
K
E
I
V
A
R
Y
K
------------------------------------------------------
7
PsiBlast_PDB
68.37
95%
-61
- C1 -
4HI4
3
?
A:
[2-119]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
H
M
A
R
I
A
S
A
L
D
N
V
S
A
N
V
M
I
A
D
N
D
L
N
I
I
Y
M
N
R
T
V
S
E
M
L
G
R
A
E
A
D
I
R
K
Q
L
P
N
F
--------------
D
A
G
R
L
M
G
A
N
I
D
V
F
H
K
N
P
A
H
Q
--
R
H
L
L
A
N
L
---------------
T
G
V
H
K
A
E
L
N
L
G
G
R
R
F
S
L
D
V
V
P
V
F
N
D
A
N
A
R
L
G
----
S
A
V
Q
W
T
D
R
T
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_CBE
67.80
95%
-60
- C1 -
4HI4
4
?
G:
[2-119]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
H
M
A
R
I
A
S
A
L
D
N
V
S
A
N
V
M
I
A
D
N
D
L
N
I
I
Y
M
N
R
T
V
S
E
M
L
G
R
A
E
A
D
I
R
K
Q
L
P
N
F
--------------
D
A
G
R
L
M
G
A
N
I
D
V
F
H
K
N
P
A
H
Q
--
R
H
L
L
A
N
L
---------------
T
G
V
H
K
A
E
L
N
L
G
G
R
R
F
S
L
D
V
V
P
V
F
N
D
A
N
A
R
L
G
----
S
A
V
Q
W
T
D
R
T
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
18
PsiBlast_CBE
67.30
95%
-59
- C1 -
4HI4
3
?
D:
[2-119]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
H
M
A
R
I
A
S
A
L
D
N
V
S
A
N
V
M
I
A
D
N
D
L
N
I
I
Y
M
N
R
T
V
S
E
M
L
G
R
A
E
A
D
I
R
K
Q
L
P
N
F
--------------
D
A
G
R
L
M
G
A
N
I
D
V
F
H
K
N
P
A
H
Q
--
R
H
L
L
A
N
L
---------------
T
G
V
H
K
A
E
L
N
L
G
G
R
R
F
S
L
D
V
V
P
V
F
N
D
A
N
A
R
L
G
----
S
A
V
Q
W
T
D
R
T
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
65.39
29%
-31
- C2 -
2CH7
2
MCP2_THEMA
A:
[2-309]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
H
M
K
D
V
Q
T
E
T
F
-
S
V
A
E
S
I
E
E
I
S
K
A
N
E
E
I
-----
T
N
Q
L
L
G
I
S
K
E
M
-------
D
N
I
S
T
R
I
E
S
I
S
A
S
V
Q
E
T
T
A
G
S
E
E
I
S
S
A
T
K
N
I
A
D
S
A
Q
Q
A
A
S
F
A
D
Q
S
T
Q
L
A
K
E
A
G
D
A
L
K
K
V
I
-------
E
V
T
R
M
I
S
N
S
A
K
D
V
E
R
V
V
E
S
F
Q
K
G
AE
E
I
T
S
F
V
E
T
I
N
A
I
A
E
Q
T
N
L
L
A
-
L
N
A
A
I
E
A
A
R
A
G
E
A
G
R
G
F
A
V
V
A
D
E
I
R
K
L
A
E
E
S
Q
Q
A
S
E
N
V
----
R
R
V
V
N
E
I
R
S
I
A
E
D
A
G
K
V
S
S
E
I
T
A
R
V
--------------
E
E
G
T
---
K
L
A
D
E
A
D
E
-
K
L
N
S
I
V
G
A
V
E
R
I
N
E
M
L
Q
N
I
A
A
A
I
E
--
E
Q
T
A
A
V
D
E
I
T
T
A
M
T
E
N
A
K
N
A
E
E
I
T
N
S
V
K
E
V
N
A
R
L
Q
E
I
S
A
S
T
E
E
V
T
---------
S
R
V
Q
T
I
R
----
E
N
V
Q
M
L
K
E
I
V
A
R
Y
K
--------------------------------------------------------------------
10
PsiBlast_PDB
49.87
32%
-16
- C2 -
3G67
-
?
A:
[80-224]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
S
E
N
I
M
E
E
L
K
K
S
G
T
N
V
D
Q
I
V
E
R
V
K
E
A
S
S
Q
I
G
E
T
L
E
N
I
R
--------------
S
I
E
K
L
I
Q
N
I
M
R
I
A
R
E
T
N
I
L
A
-
L
N
A
T
I
E
A
A
R
A
G
E
A
G
K
G
F
M
I
V
A
N
E
V
Q
N
L
S
N
E
T
N
E
V
T
K
Q
I
V
E
K
A
R
E
I
L
--------------
E
S
S
Q
R
S
L
--------------
E
N
L
E
F
M
A
N
L
F
E
T
V
G
K
-
T
L
Q
N
M
V
R
F
M
E
N
N
V
K
L
L
Q
E
V
R
N
S
L
D
--
T
S
K
E
S
L
--------------
S
E
K
S
A
E
I
D
S
A
T
K
V
L
E
E
T
A
-------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
48.55
32%
-18
- C2 -
3G6B
-
?
A:
[80-224]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
S
E
N
I
M
E
E
L
K
K
S
G
T
N
V
D
Q
I
V
E
R
V
K
E
A
S
S
Q
I
G
E
T
L
E
N
I
R
--------------
S
I
E
K
L
I
Q
N
I
M
R
I
A
R
E
T
N
I
L
A
-
L
N
A
T
I
E
A
A
R
A
G
E
A
G
K
G
F
M
I
V
A
N
E
V
Q
N
L
S
N
E
T
N
E
V
T
K
Q
I
V
E
K
A
R
E
I
L
--------------
E
S
S
Q
R
S
L
--------------
E
N
L
E
F
M
A
N
L
F
E
T
V
G
K
-
T
L
Q
N
M
V
R
F
M
E
N
I
V
K
L
L
Q
E
V
R
N
S
L
D
--
T
S
K
E
S
L
--------------
S
E
K
S
A
E
I
D
S
A
T
K
V
L
E
E
T
A
-------------------------------------------------------------------------------------------------------------