@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 : O4A16_HUMAN: (2016-01-11 )
MRPSSNVTEFVLLGLTQDPDVKKTLFVMFLLIYIVTMVGNLLIWVTTIGSPSLGSLMYFFLAYLSLMDAIYSTAMSPKLMIDLLCDKIAISLSACMGQLFIEHLLGGAEVFLLVVMAYDRYVAISKPLHYLNIMNRLVCILLLVVAMIGGFVHSVVQIVFLYSLPICGPNVIDHSVCDMYPLLELLCLDTYFIGLTVVANGGIICMVIFTFLLISCGVILNFLKTYSQEERHKALPTCISHIIVVALVFVPCIFMYVRPVSNFPFDKLMTVFYSIITLMLNPLIYSLRQSEMKNAMKNLWCEKLSIVRKRVSPTLNIFIPSSKATNRR
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......--
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
---------------------------MRPSSNV
T
E
F
----
V
L
L
GLTQ---------------DP
D
V
K
----------------
K
T
L
--
F
V
M
F
L
--
L
I
Y
I
V
T
M
VGN
L
L
I
W
V
T
TIGSP
S
L
G
S
L
M
Y
F
F
L
A
Y
----
L
S
L
M
D
A
I
Y
S
TAM-S
P
K
L
M
I
D
L
L
-
C
D
--------
K
I
A
I
S
L
S
A
C
M
G
Q
L
F
I
E
H
L-LG
G
A
E
V
F
L
L
V
V
MAYD
R
Y
V
AISK
P
L
H
Y
-
L
N
I
---
M
N
R
L
V
C
I
L
L
L
V
V
A
M
I
G
G
F
V
H
S
V
V
--------------------------
Q
I
V
F
L
YSL---------P-----I-----CGPNVI
D
H
S
V
C
D
M
Y
P
L
L
E
L
L
C
L
D
--------------
T
Y
F
I
G
L
T
V
VANG
G
I
I
C
M
V
I
F
T
F
L
L
I
S
C
G
V
I
L
N
F
L
K
T
Y
S
Q
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
R
H
K
A
L
P
T
C
I
S
H
I
I
V
V
-
A
L
V
F
V
P
C
I
--
F
M
Y
V
RPVSN--------------F--------------
P
--------
F
D
K
---------
L
M
T
V
F
Y
--------
S
I
I
T
L
M
L
N
P
L
I
Y
S
----
L
R
Q
S
----------------------
E
M
K
N
A
M
K
N
-----
L
-
W
C
-----
E
K
L
S
I
V
R
K
RVSP
T
L
N
I
F
IPSSKATNRR--
21
HHSearch
89.44
16%
-170
* C2 *
3UON
4
ACM2_HUMAN (first)
A:
[23-457]
-------------------------------------------------------------------
V
----------------
V
F
I
--
V
L
V
A
G
--
S
L
S
L
V
T
I
I
G
N
I
L
V
M
V
S
I
K
V
N
R
H
L
Q
T
V
N
N
Y
F
L
F
S
----
L
A
C
A
D
L
I
I
G
V
F
S
-
M
N
L
Y
T
L
Y
T
V
-
I
G
--------
Y
W
P
L
G
P
V
V
C
D
L
W
L
A
L
D
Y
V
-
V
S
N
A
S
V
M
N
L
L
I
I
S
F
D
R
Y
F
C
V
T
K
P
L
T
Y
-
P
V
K
---
R
T
T
K
M
A
G
M
M
I
A
A
A
W
V
L
S
F
I
L
W
A
P
--------------------------
A
I
L
F
W
Q
F
I
---------
V
-----
G
-------
V
R
T
V
E
D
G
E
C
Y
I
Q
F
F
-----------------------
S
N
A
A
V
T
F
G
T
A
I
A
A
F
Y
L
P
V
I
I
M
T
V
L
Y
W
H
I
S
R
A
S
K
S
R
I
N
I
F
E
M
L
R
I
D
EGLRL
K
I
Y
K
D
TEG
Y
Y
T
I
GIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKL
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYPPP--
S
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
E
K
K
V
T
R
T
I
L
A
I
L
L
A
F
-
I
I
T
W
A
P
Y
N
--
V
M
V
L
I
N
T
F
C
APCI----------
P
--------------
N
--------
T
V
W
---------
T
I
G
Y
W
L
--------
C
Y
I
N
S
T
I
N
P
A
C
Y
A
----
L
C
N
A
----------------------
T
F
K
K
T
F
K
H
-----
L
-
L
M
----------------------------------
24
HHSearch
88.94
19%
-174
- C2 -
2RH1
16
ADRB2_HUMAN (first)
A:
[38-477]
-----------------------------------------------------------------
V
W
V
----------------
V
G
M
--
G
I
V
M
S
--
L
I
V
L
A
I
V
F
G
N
V
L
V
I
T
A
I
A
K
F
E
R
L
Q
T
V
T
N
Y
F
I
T
S
----
L
A
C
A
D
L
V
M
G
L
A
V
-
V
P
F
G
A
A
H
I
L
-
M
K
--------
M
W
T
F
G
N
F
W
C
E
F
W
T
S
I
D
V
L
-
C
V
T
A
S
I
E
T
L
C
V
I
A
V
D
R
Y
F
A
I
T
S
P
F
K
Y
-
Q
S
L
---
L
T
K
N
K
A
R
V
I
I
L
M
V
W
I
V
S
G
L
T
S
F
L
--------------------------
P
I
Q
M
H
W
Y
R
---------
A
-----
T
---------
H
Q
E
A
I
N
C
Y
A
E
E
----
T
C
C
D
--------------
F
F
T
N
Q
A
Y
A
I
A
S
S
I
V
S
F
Y
V
P
L
V
I
M
V
F
V
Y
S
R
V
F
Q
E
A
K
R
Q
L
N
I
F
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
TEGYYTIGIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYKFC--
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
E
H
K
A
L
K
T
L
G
I
I
M
G
T
F
-
T
L
C
W
L
P
F
F
--
I
V
N
I
V
H
V
I
Q
--------------
D
NLIR----------
K
--------
E
V
Y
---------
I
L
L
N
W
I
--------
G
Y
V
N
S
G
F
N
P
L
I
Y
C
-----
R
S
P
----------------------
D
F
R
I
A
F
Q
E
-----
L
-
L
C
-----
L
----------------------------
33
HHSearch
88.72
16%
-173
- C2 -
3PBL
2
DRD3_HUMAN (first)
A:
[41-472]
--------------------------------------------------------------------------------------
Y
--
A
L
S
Y
C
--
A
L
I
L
A
I
V
F
G
N
G
L
V
C
M
A
V
L
K
E
R
A
L
Q
T
T
T
N
Y
L
V
V
S
----
L
A
V
A
D
L
L
V
A
T
L
V
-
M
P
W
V
V
Y
L
E
V
T
G
G
--------
V
W
N
F
S
R
I
C
C
D
V
F
V
T
L
D
V
M
-
M
C
T
A
S
I
W
N
L
C
A
I
S
I
D
R
Y
T
A
V
V
M
P
V
H
Y
-
Q
H
G
T
G
Q
S
S
C
R
R
V
A
L
M
I
T
A
V
W
V
L
A
F
A
V
S
C
P
--------------------------
L
L
F
G
F
N
T
T
--------------------------
G
D
P
T
V
C
S
I
S
N
P
--------------------------
D
F
V
I
Y
S
S
V
V
S
F
Y
L
P
F
G
V
T
V
L
V
Y
A
R
I
Y
V
V
L
K
Q
R
R
R
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
N
I
F
E
M
L
R
I
D
E
GLRL
K
I
Y
K
D
TEG
Y
Y
T
I
G
IGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
T
GTWDAYGVP
L
R
E
K
K
A
T
Q
M
V
A
I
V
L
G
A
F
-
I
V
C
W
L
P
F
F
--
L
T
H
V
L
N
T
H
C
QTCHV---------
S
--------------
P
--------
E
L
Y
---------
S
A
T
T
W
L
--------
G
Y
V
N
S
A
L
N
P
V
I
Y
T
----
T
F
N
I
----------------------
E
F
R
K
A
F
L
K
-----
I
-
L
S
-----
C
----------------------------
25
HHSearch
86.95
19%
-171
- C2 -
3RZE
5
ENLYS_BPT4 (first)
A:
[9-443]
------------------------------------------------------------------------------------
M
P
L
--
V
V
V
L
S
--
T
I
C
L
V
T
V
G
L
N
L
L
V
L
Y
A
V
R
S
E
R
K
L
H
T
V
G
N
L
Y
I
V
S
----
L
S
V
A
D
L
I
V
G
A
V
V
-
M
P
M
N
I
L
Y
L
L
-
M
S
--------
K
W
S
L
G
R
P
L
C
L
F
W
L
S
M
D
Y
V
-
A
S
T
A
S
I
F
S
V
F
I
L
C
I
D
R
Y
R
S
V
Q
Q
P
L
R
Y
-
L
K
Y
---
R
T
K
T
R
A
S
A
T
I
L
G
A
W
F
L
S
F
L
W
V
I
P
--------------------------
I
L
G
W
N
H
----------------------------
R
R
E
D
K
C
E
T
D
F
Y
D
-----------------------
V
T
W
F
K
V
M
T
A
I
I
N
F
Y
L
P
T
L
L
M
L
W
F
Y
A
K
I
Y
K
A
V
R
Q
H
C
N
I
F
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
TEG
Y
Y
T
I
G
IGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKL
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYLHM--
N
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
E
R
K
A
A
K
Q
L
G
F
I
M
A
A
F
-
I
L
C
W
I
P
Y
F
--
I
F
F
M
V
I
A
F
C
KNCC----------
N
--------------
E
--------
H
L
H
---------
M
F
T
I
W
L
--------
G
Y
I
N
S
T
L
N
P
L
I
Y
P
----
L
C
N
E
----------------------
N
F
K
K
T
F
K
R
-----
I
-
L
H
-----
I
----------------------------
22
HHSearch
86.74
16%
-167
- C2 -
3ODU
6
CXCR4_HUMAN (first)
A:
[44-498]
---------------------------------------------------------------
A
N
F
N
K
----------------
I
F
L
--
P
T
I
Y
S
--
I
I
F
L
T
G
I
V
G
N
G
L
V
I
L
V
M
G
Y
Q
K
K
L
R
S
M
T
D
K
Y
R
L
H
----
L
S
V
A
D
L
L
F
V
-
I
T
-
L
P
F
W
A
V
D
A
V
--
A
--------
N
W
Y
F
G
N
F
L
C
K
A
V
H
V
I
Y
T
V
-
N
L
Y
S
S
V
W
I
L
A
F
I
S
L
D
R
Y
L
A
I
V
H
A
T
N
S
-
Q
R
P
---
R
K
L
L
A
E
K
V
V
Y
V
G
V
W
I
P
A
L
L
L
T
I
P
--------------------------
D
F
I
F
A
N
V
S
---------
E
---------------
A
D
D
R
Y
I
C
D
R
F
Y
P
N
D
--------------------
L
W
V
V
V
F
Q
F
Q
H
I
M
V
G
L
I
L
P
G
I
V
I
L
S
C
Y
C
I
I
I
S
K
L
S
H
S
G
S
N
I
F
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
TEG
Y
Y
T
I
GIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
IGRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKLK
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KRW
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYGSK
G
H
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
K
R
K
A
L
K
T
T
V
I
L
I
L
A
F
-
F
A
C
W
L
P
Y
Y
--
I
G
I
S
I
D
S
F
I
L
L
EI
I
K
Q
G
C
E
F
E
N
T
V
--------------
H
--------
K
W
I
---------
S
I
T
E
A
L
--------
A
F
F
H
C
C
L
N
P
I
L
Y
A
----
F
L
G
A
----------------------
K
F
K
T
S
A
Q
H
-----
A
-
L
T
-----
S
G
R
P
L
E
V
L
F
Q
-------------------
26
HHSearch
86.66
14%
-162
- C2 -
2Z73
5
OPSD_TODPA
A:
[31-334]
----------------------------------------------------------------
D
A
V
Y
----------------
Y
S
L
--
G
I
F
I
G
--
I
C
G
I
I
G
C
G
G
N
G
I
V
I
Y
L
F
T
K
T
K
S
L
Q
T
P
A
N
M
F
I
I
N
----
L
A
F
S
D
F
T
F
S
L
V
N
G
F
P
L
M
T
I
S
C
F
-
L
K
--------
K
W
I
F
G
F
A
A
C
K
V
Y
G
F
I
G
G
I
-
F
G
F
M
S
I
M
T
M
A
M
I
S
I
D
R
Y
N
V
I
G
R
P
M
A
A
-
S
K
K
---
M
S
H
R
R
A
F
I
M
I
I
F
V
W
L
W
S
V
L
W
A
I
G
--------------------------
P
I
F
G
W
G
A
Y
---------
T
-----
L
---------
E
G
V
L
C
N
C
S
F
D
Y
I
S
R
-------------------
D
S
T
T
R
S
N
I
L
C
M
F
I
L
G
F
F
G
P
I
L
I
I
F
F
C
Y
F
N
I
V
M
S
V
S
N
H
E
K
E
M
A
A
M
A
K
RLNAKE
L
R
K
A
Q
A
G
A
-----------------------------------------------------------------------------------------------------------------------------------------------
N
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
E
M
R
L
A
K
I
S
I
V
I
V
S
Q
F
-
L
L
S
W
S
P
Y
A
--
V
V
A
L
L
A
Q
F
G
--------------
P
LEWVT---------
P
--------
Y
A
A
---------
Q
L
P
V
M
F
--------
A
K
A
S
A
I
H
N
P
M
I
Y
S
----
V
S
H
P
----------------------
K
F
R
E
A
I
S
Q
-----
T
-
F
P
-----
W
V
L
T
C
C
Q
F
D
D
K
E
T
E
D
D
K
D
A
E
T
E
I
P
A
G
E
--
27
HHSearch
86.36
15%
-175
- C2 -
3EML
13
ENLYS_BPT4
A:
[20-472]
------------------------------------------------------------------
G
S
----------------
S
V
Y
--
I
T
V
E
L
--
A
I
A
V
L
A
I
L
G
N
V
L
V
C
W
A
V
W
L
N
S
N
L
Q
N
V
T
N
Y
F
V
V
S
----
L
A
A
A
D
I
A
V
G
V
L
A
-
I
P
F
A
I
T
I
S
T
-----------
G
F
C
A
A
C
H
G
C
L
F
I
A
C
F
V
L
V
-
L
T
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
R
I
P
L
R
Y
-
N
G
L
---
V
T
G
T
R
A
K
G
I
I
A
I
C
W
V
L
S
F
A
I
G
L
T
--------------------------
P
M
L
G
W
N
N
C
---------
G
-----
Q
------------
S
Q
G
C
G
E
G
Q
V
---
A
C
L
F
ED------------
V
V
P
M
N
Y
M
V
Y
F
N
F
F
A
C
V
L
V
P
L
L
L
M
L
G
V
Y
L
R
I
F
L
A
A
R
R
Q
L
N
I
F
E
M
L
R
I
D
E
GLRL
K
I
Y
K
D
TEGYYTIGIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTW
D
A
Y
R
S
T
L
-
Q
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
E
V
H
A
A
K
S
L
A
I
I
V
G
L
F
-
A
L
C
W
L
P
L
H
--
I
I
N
C
F
T
F
F
C
PDCSHA--------
P
--------------
L
--------
W
L
M
---------
Y
L
A
I
V
L
--------
S
H
T
N
S
V
V
N
P
F
I
Y
A
----
Y
R
I
R
----------------------
E
F
R
Q
T
F
R
K
-----
I
-
I
R
-----
S
H
V
L
R
Q
-----------------------
39
Fugue
83.59
17%
-136
- C2 -
1U19
15
OPSD_BOVIN
A:
[4-349]
---------------------------
M
N
G
T
E
G
P
N
F
Y
----
V
P
F
S
N
K
T
GVVRSPFEAPQYYLA
E
P
W
Q
F
----------------
S
M
L
--
A
A
Y
M
F
--
L
L
I
M
L
G
F
P
I
N
F
L
T
L
Y
V
T
V
Q
H
K
K
L
R
T
P
L
N
Y
I
L
L
N
----
L
A
V
A
D
L
F
M
V
F
G
G
-
F
T
T
T
L
Y
T
S
L
-
H
G
--------
Y
F
V
F
G
P
T
G
C
N
L
E
G
F
F
A
T
L
-
G
G
E
I
A
L
W
S
L
V
V
L
A
I
E
R
Y
V
V
V
C
K
P
M
S
N
-
F
R
F
---
G
E
N
H
A
I
M
G
V
A
F
T
W
V
M
A
L
A
C
A
A
P
P
--------------------------
L
V
G
W
S
R
Y
I
---------
P
E
GMQC
S
-----
C
G
I
--------
D
Y
Y
T
P
H
E
E
T
N
N
E
--------------
S
F
V
I
Y
M
F
V
V
H
F
I
I
P
L
I
V
I
F
F
C
Y
G
Q
L
V
F
T
V
K
E
A
A
A
Q
Q
Q
E
S
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
T
Q
K
A
E
K
E
V
T
R
M
V
I
I
M
-
V
I
A
F
L
I
C
W
--
L
P
Y
A
G
V
A
F
Y
--------------
I
--------------
F
--------
T
H
Q
GSDFGPIFM
T
I
P
A
F
F
--------
A
K
T
S
A
V
Y
N
P
V
I
Y
I
----
M
M
N
K
----------------------
Q
F
R
N
C
M
V
T
-----
T
L
C
C
-----
G
K
N
P
L
G
D
D
E
A
S
T
T
V
S
K
T
E
T
S
Q
V
A
P
A
----
40
Fugue
83.12
16%
-152
- C2 -
1F88
8
OPSD_BOVIN
A:
[1-348]
----------------------------
M
N
G
T
E
G
P
N
F
----
Y
V
P
F
S
N
K
---------------
T
G
V
V
R
SPFEAPQYYLAE
P
W
Q
F
S
M
L
--
A
A
Y
M
F
--
L
L
I
M
L
G
F
P
I
N
F
L
T
L
Y
V
T
V
Q
H
K
K
L
R
T
P
L
N
Y
I
L
L
N
----
L
A
V
A
D
L
F
M
V
F
G
G
-
F
T
T
T
L
Y
T
S
L
-
H
G
--------
Y
F
V
F
G
P
T
G
C
N
L
E
G
F
F
A
T
L
-
G
G
E
I
A
L
W
S
L
V
V
L
A
I
E
R
Y
V
V
V
C
K
P
M
S
N
-
F
R
F
---
G
E
N
H
A
I
M
G
V
A
F
T
W
V
M
A
L
A
C
A
A
P
P
--------------------------
L
V
G
W
S
R
Y
I
---------
P
-----
E
GMQC
S
C
G
I
--------
D
Y
Y
T
P
H
E
E
T
N
N
E
--------------
S
F
V
I
Y
M
F
V
V
H
F
I
I
P
L
I
V
I
F
F
C
Y
G
Q
L
----
V
F
T
V
K
E
A
A
A
S
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
T
Q
K
A
E
K
E
V
T
R
M
V
I
I
M
-
V
I
A
F
L
I
C
W
--
L
P
Y
A
G
V
A
F
Y
--------------
I
--------------
F
--------
T
H
Q
GSDFGPIFM
T
I
P
A
F
F
--------
A
K
T
S
A
V
Y
N
P
V
I
Y
I
----
M
M
N
K
----------------------
Q
F
R
N
C
M
V
T
-----
T
-
L
C
-----
C
G
K
N
P
S
T
T
V
S
K
T
E
T
S
Q
V
A
P
A
---------
29
HHSearch
81.07
18%
-165
- C2 -
3V2Y
1
ENLYS_BPT4
A:
[60-495]
----------------------------------------------------------------
E
N
S
I
----------------
K
L
T
--
S
V
V
F
I
--
L
I
C
C
F
I
I
L
E
N
I
F
V
L
L
T
I
W
K
T
K
K
F
H
R
P
M
Y
Y
F
I
G
N
----
L
A
L
S
D
L
L
A
G
V
A
Y
-
T
A
N
L
L
L
S
G
A
--
T
--------
T
Y
K
L
T
P
A
Q
W
F
L
R
E
G
S
M
F
V
-
A
L
S
A
S
V
F
S
L
L
A
I
A
I
E
R
Y
I
T
M
L
K
------------
N
N
F
R
L
F
L
L
I
S
A
C
W
V
I
S
L
I
L
G
G
L
--------------------------
P
I
M
G
W
N
C
I
--------------------------
S
A
L
S
S
C
S
T
V
L
P
L
Y
-----------------------
H
K
H
Y
I
L
F
C
T
T
V
F
T
L
L
L
L
S
I
V
I
L
Y
C
R
I
Y
S
L
V
R
T
R
N
I
F
E
M
L
R
IDEGLRL
K
I
Y
K
D
TE
G
Y
Y
T
I
G
IGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYA
S
R
S
--
S
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
N
V
A
L
L
K
T
V
I
I
V
L
S
V
F
-
I
A
C
W
A
P
L
F
--
I
L
L
L
L
D
V
G
C
--------------
K
VKTC
D
I
--------
L
--------
F
R
A
---------
E
Y
F
L
V
L
--------
A
V
L
N
S
G
T
N
P
I
I
Y
T
----
L
T
N
K
----------------------
E
M
R
R
A
F
I
R
-----
I
-
M
G
-----
R
P
L
--------------------------
30
HHSearch
80.52
15%
-163
- C2 -
2KS9
1
NK1R_HUMAN
A:
[32-326]
-------------------------------------------------------------------
I
----------------
V
L
W
--
A
A
A
Y
T
--
V
I
V
V
T
S
V
V
G
N
V
V
V
M
W
I
I
L
A
H
K
R
M
R
T
V
T
N
Y
F
L
V
N
----
L
A
F
A
E
A
S
M
A
A
F
N
-
T
V
V
N
F
T
Y
A
V
-
H
N
--------
E
W
Y
Y
G
L
F
Y
C
K
F
H
N
F
F
P
I
A
-
A
V
F
A
S
I
Y
S
M
T
A
V
A
F
D
R
Y
M
A
I
I
H
P
L
Q
P
-
R
L
-----
S
A
T
A
T
K
V
V
I
C
V
I
W
V
L
A
L
L
L
A
F
P
--------------------------
Q
G
Y
Y
S
T
T
E
------------------------
T
M
P
S
R
V
V
C
M
I
E
W
P
E
H
P
---
N
--------------
K
I
Y
E
K
V
Y
H
I
C
V
T
V
L
I
Y
F
L
P
L
L
V
I
G
Y
A
Y
T
V
V
G
I
T
L
W
A
S
E
I
PGDSSDRYH
E
Q
V
--------------------------------------------------------------------------------------------------------------------------------------------------------
S
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
K
R
K
V
V
K
M
M
I
V
V
V
C
T
F
-
A
I
C
W
L
P
F
H
--
I
F
F
L
L
P
Y
I
N
--------------
P
--------------
D
LYLKKFI
Q
Q
V
Y
---------
L
A
I
M
W
L
--------
A
M
S
S
T
M
Y
N
P
I
I
Y
C
----
C
L
N
D
----------------------
R
F
R
L
G
F
K
H
-----
A
-
F
R
-----
C
C
P
F
I
S
A
G
D
Y
E
G
L
E
M
K
S
T
R
Y
L
Q
T
Q
G
S
V
--
31
HHSearch
75.27
15%
-165
- C2 -
1U19
14
OPSD_BOVIN
A:
[37-328]
----------------------------------------------------------------
P
W
Q
F
----------------
S
M
L
--
A
A
Y
M
F
--
L
L
I
M
L
G
F
P
I
N
F
L
T
L
Y
V
T
V
Q
H
K
K
L
R
T
P
L
N
Y
I
L
L
N
----
L
A
V
A
D
L
F
M
V
F
G
G
-
F
T
T
T
L
Y
T
S
L
-
H
G
--------
Y
F
V
F
G
P
T
G
C
N
L
E
G
F
F
A
T
L
-
G
G
E
I
A
L
W
S
L
V
V
L
A
I
E
R
Y
V
V
V
C
K
P
M
S
N
-
F
R
F
----
G
E
N
H
A
I
M
G
V
A
F
T
W
V
M
A
L
A
C
A
A
P
--------------------------
P
L
V
G
W
S
R
Y
---------
I
-----
P
---------
E
G
M
Q
C
S
C
G
I
D
Y
Y
T
P
H
---
E
--------------
E
T
N
N
E
S
F
V
I
Y
M
F
V
V
H
F
I
I
P
L
I
V
I
F
F
C
Y
G
Q
L
V
F
T
V
K
E
A
A
A
QQQESA
T
T
Q
-----------------------------------------------------------------------------------------------------------------------------------------------------------
K
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
E
K
E
V
T
R
M
V
I
I
M
V
I
A
F
-
L
I
C
W
L
P
Y
A
--
G
V
A
F
Y
I
F
T
H
QGSDF---------
G
--------------
P
--------
I
F
M
---------
T
I
P
A
F
F
--------
A
K
T
S
A
V
Y
N
P
V
I
Y
I
----
M
M
N
K
----------------------
Q
F
R
N
C
M
V
T
-----
T
-
L
C
-----
C
G
K
N
P
L
G
D
D
E
A
S
T
T
V
S
K
T
E
T
S
Q
V
A
P
A
---
45
Fugue
71.35
17%
-157
* C3 *
4ZFV
4
?
A:
[10-445]
N
V
L
D
F
T
V
L
G
L
N
S
G
TSMD
G
I
D
C
A
L
C
H
F
Y
Q
K
T
P
D
A
P
M
E
F
----
E
L
L
E
Y
G
E
---------------
V
P
L
A
Q
----------------
P
I
K
--
Q
R
V
M
R
--
M
I
L
E
D
T
T
S
P
S
E
L
S
E
V
N
V
I
L
G
E
H
F
A
D
A
V
R
Q
F
A
A
E
R
NVD
L
S
T
I
D
A
I
A
S
H
G
Q
-
T
I
W
L
L
S
M
P
E
-
E
G
--------
Q
V
K
S
A
L
T
M
A
E
G
A
I
L
A
S
R
T
G
I
T
S
I
T
D
F
R
I
S
D
Q
A
A
G
R
Q
G
A
P
L
I
A
F
F
D
-
A
L
L
---
L
H
H
P
T
--
K
L
R
A
C
Q
N
I
G
G
I
A
N
V
C
F
I
P
P
DVDGRRTDE
Y
Y
D
F
D
TGPGN
V
F
I
D
A
V
V
R
H
F
T
N
GEQEYDKDG
A
-----
M
-----
G
K
R
G
K
V
D
Q
E
L
V
D
D
F
L
K
M
P
Y
F
Q
L
D
PPKTTGREVFRD
T
L
A
H
D
L
I
R
R
A
E
A
K
G
L
S
P
D
D
I
V
A
T
T
T
R
I
T
A
Q
A
I
V
D
H
Y
R
R
Y
A
P
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
E
-------
I
D
E
I
F
M
C
G
G
G
A
Y
N
P
N
I
--
V
E
F
I
Q
Q
S
----------------
Y
--------------
P
--------
N
T
K
---------
I
M
M
L
D
E
AGVPAGA
K
E
A
I
T
F
A
W
Q
G
M
E
A
L
----
V
G
R
S
I
P
V
P
T
RVETRQHYV
L
G
K
V
S
P
G
L
N
Y
R
S
V
M
K
K
-----
G
-
M
A
FGGDA
Q
Q
L
P
W
V
S
E
M
I
V
K
K
K
G
K
V
I
T
N
N
W
A
G
S
H
H
HH
32
HHSearch
69.77
15%
-150
- C2 -
2LNL
-
CXCR1_HUMAN
A:
[35-322]
---------------------------------------------------------------
E
T
L
N
K
----------------
Y
V
V
--
I
I
A
Y
A
--
L
V
F
L
L
S
L
L
G
N
S
L
V
M
L
V
I
L
Y
S
R
V
G
R
S
V
T
D
V
Y
L
L
N
----
L
A
L
A
D
L
L
F
A
L
T
--
L
P
I
W
A
A
S
K
--
V
N
--------
G
W
I
F
G
T
F
L
C
K
V
V
S
L
L
K
E
V
-
N
F
Y
S
G
I
L
L
L
A
C
I
S
V
D
R
Y
L
A
I
V
H
A
T
R
T
-
L
T
Q
----
K
R
H
L
V
K
F
V
C
L
G
C
W
G
L
S
M
N
L
S
L
P
--------------------------
F
F
L
F
R
Q
A
Y
---------
H
--------------
P
N
N
S
S
P
V
C
Y
E
V
L
G
N
D
----
T
--------------
A
K
W
R
M
V
L
R
I
L
P
H
T
F
G
F
I
V
P
L
F
V
M
L
F
C
Y
G
F
T
L
R
T
L
F
K
A
H
M
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
K
H
R
A
M
R
V
I
F
A
V
V
L
I
F
-
L
L
C
W
L
P
Y
N
--
L
V
L
L
A
D
T
L
M
--------------
R
TQVIQE
S
C
E
R
R
N
N
I
G
--------
R
A
L
---------
D
A
T
E
I
L
--------
G
F
L
H
S
C
L
N
P
I
I
Y
A
----
F
I
G
Q
----------------------
N
F
R
H
G
F
L
K
-----
I
-
L
A
-----
M
H
G
--------------------------
48
Fugue
67.51
16%
-167
- C1 -
4BE3
2
?
A:
[1-312]
--------------------------T
K
Y
P
S
E
L
I
P
Q
M
DE
W
K
I
L
L
G
------------------
D
G
T
H
K
----------------
E
D
L
VN
Y
A
K
D
D
--
F
F
Y
V
E
H
E
N
E
T
D
W
V
V
F
K
T
P
N
S
G
I
T
S
R
T
S
S
N
T
R
T
E
----
L
G
Q
K
K
H
-
W
I
P
E
T
-
G
G
K
L
N
A
T
L
K
-
V
Q
HVSTSGDA
R
V
A
A
S
Y
S
V
V
V
G
Q
I
H
S
D
E
G
--
H
E
N
E
P
I
K
I
F
Y
K
K
F
P
G
H
T
K
G
S
V
F
W
N
Y
E
I
N
T
---
K
G
D
----------
N
S
K
R
W
D
Y
S
T
A
----------------------------
V
W
G
Y
D
M
---------
S
-----
V
-----
V
G
P
T
A
T
S
Y
P
-----
E
E
P
E
D
G
I
A
L
--------------
G
E
E
F
S
Y
E
I
N
V
Y
E
G
I
M
Y
L
T
F
S
S
E
G
H
K
T
I
K
F
T
K
N
L
L
K
--
S
N
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
K
K
S
D
I
P
Q
Q
I
K
T
L
--
Y
-
A
S
I
G
R
D
G
I
--
E
R
E
N
A
Y
A
G
E
--------------
I
--------------
Q
--------
Y
F
K
---------
L
G
A
Y
N
Q
--------
T
N
G
K
S
P
E
D
N
L
V
W
S
TGAD
V
Y
D
G
----------------------
D
I
A
K
Q
Y
A
N
GS
Y
A
E
V
-
W
F
-----
K
E
A
T
L
G
S
G
S
A
P
E
-----------------
46
Fugue
59.91
14%
-77
- C3 -
1KKG
-
RBFA_ECOLI
A:
[1-108]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
A
K
E
F
G
R
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
R
V
A
Q
E
M
Q
K
E
I
A
L
I
L
Q
-
R
E
I
K
D
P
R
L
G
M
M
T
T
V
S
G
V
E
M
--------------
S
--------------
R
--------
D
L
A
---------
Y
A
K
V
Y
V
--------
T
F
L
N
D
K
-
D
E
D
A
V
K
----
A
G
I
K
----------------------
A
L
Q
E
A
S
G
F
-----
I
-
R
S
-----
L
L
G
K
A
M
R
L
R
I
V
P
E
L
T
F
F
Y
D
N
S
L
V
E
G
M
R
--
5
PsiBlast_PDB
59.11
24%
-183
- C2 -
3RZE
2
ENLYS_BPT4 (first)
A:
[11-147]
--------------------------------------------------------------------------------------
L
--
V
V
V
L
S
--
T
I
C
L
V
T
V
G
L
N
L
L
V
L
Y
A
V
R
S
E
R
K
L
H
T
V
G
N
L
Y
I
V
S
----
L
S
V
A
D
L
I
V
G
A
V
V
-
M
P
M
N
I
L
Y
L
L
-
M
S
--------
K
W
S
L
G
R
P
L
C
L
F
W
L
S
M
D
Y
V
-
A
S
T
A
S
I
F
S
V
F
I
L
C
I
D
R
Y
R
S
V
Q
Q
P
L
R
Y
-
L
K
Y
---
R
T
K
T
R
A
----
S
A
T
I
L
G
A
W
F
L
S
-------------------------------
F
L
W
V
I
---------
P
-----
I
-----
L
G
W
N
H
R
R
E
D
K
C
E
T
D
F
Y
D
V
T
W
F
K
V
--------------
M
T
A
I
I
N
F
Y
L
P
T
L
L
M
L
W
F
Y
A
K
I
Y
K
A
V
R
Q
H
C
N
I
F
E
M
L
R
I
D
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
R
L
K
I
Y
K
D
T
E
G
Y
Y
T
I
G
-
I
G
H
L
L
T
K
S
--
P
S
L
N
A
A
K
S
E
--------------
L
--------------
D
--------
K
A
I
---------
G
R
N
T
N
G
--------
V
I
T
K
D
E
A
E
K
L
F
N
Q
----
D
V
D
A
----------------------
A
V
R
G
I
L
R
N
-----
A
-
K
L
-----
K
P
V
Y
D
S
L
D
A
V
R
R
A
A
L
I
N
M
V
F
Q
M
G
E
T
G
V
--
2
PsiBlast_PDB
55.40
27%
-163
- C2 -
4U16
1
?
A:
[9-120]
------------------------------------------------------------------
I
W
----------------
Q
V
V
--
F
I
A
F
L
T
G
F
L
A
L
V
T
I
I
G
N
I
L
V
I
V
A
F
K
V
N
K
Q
L
K
T
V
N
N
Y
F
L
L
S
----
L
A
C
A
D
L
I
I
G
V
I
S
-
M
N
L
F
T
T
Y
I
I
-
M
N
--------
R
W
A
L
G
N
L
A
C
D
L
W
L
S
I
D
Y
V
-
A
S
N
A
S
V
M
N
L
L
V
I
S
F
D
R
Y
F
S
I
T
R
P
L
T
Y
-
R
A
K
---
R
T
T
K
R
A
G
V
M
I
G
L
A
W
V
I
S
F
V
L
W
A
P
--------------------------
A
I
L
F
W
Q
Y
F
---------
V
-----
G
-----
K
R
T
V
P
P
G
E
C
F
I
Q
F
L
S
E
P
T
I
T
F
G
T
--------------
A
I
A
A
F
Y
M
P
V
T
I
M
T
I
L
Y
W
R
I
Y
K
E
T
E
K
M
N
I
F
E
M
L
R
I
D
E
G
G
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
G
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
-
V
R
G
I
L
R
N
A
--
K
L
K
P
V
Y
D
S
L
--------------
D
--------------
A
--------
V
R
R
---------
A
A
L
I
N
M
--------
V
F
Q
M
G
E
T
G
V
A
G
F
T
----
N
S
L
R
----------------------
M
L
Q
Q
K
R
W
D
-----
E
-
A
A
-----
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
T
G
T
--
1
PsiBlast_PDB
55.34
27%
-154
- C2 -
4U15
1
ACM3_RAT
A:
[9-120]
------------------------------------------------------------------
I
W
----------------
Q
V
V
--
F
I
A
F
L
T
G
F
L
A
L
V
T
I
I
G
N
I
L
V
I
V
A
F
K
V
N
K
Q
L
K
T
V
N
N
Y
F
L
L
S
----
L
A
C
A
D
L
I
I
G
V
I
S
-
M
N
L
F
T
T
Y
I
I
-
M
N
--------
R
W
A
L
G
N
L
A
C
D
L
W
L
S
I
D
Y
V
-
A
S
N
A
S
V
M
N
L
L
V
I
S
F
D
R
Y
F
S
I
T
R
P
L
T
Y
-
R
A
K
---
R
T
T
K
R
A
G
V
M
I
G
L
A
W
V
I
S
F
V
L
W
A
P
--------------------------
A
I
L
F
W
Q
Y
F
---------
V
-----
G
-----
K
R
T
V
P
P
G
E
C
F
I
Q
F
L
S
E
P
T
I
T
F
G
T
--------------
A
I
A
A
F
Y
M
P
V
T
I
M
T
I
L
Y
W
R
I
Y
K
E
T
E
K
M
N
I
F
E
M
L
R
I
D
E
G
G
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
G
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
-
V
R
G
I
L
R
N
A
--
K
L
K
P
V
Y
D
S
L
--------------
D
--------------
A
--------
V
R
R
---------
A
A
L
I
N
M
--------
V
F
Q
M
G
E
T
G
V
A
G
F
T
----
N
S
L
R
----------------------
M
L
Q
Q
K
R
W
D
-----
E
-
A
A
-----
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
T
G
T
--
3
PsiBlast_PDB
54.44
28%
-165
- C2 -
4U14
1
ENLYS_BPT4
A:
[11-120]
------------------------------------------------------------------------------------
Q
V
V
--
F
I
A
F
L
T
G
F
L
A
L
V
T
I
I
G
N
I
L
V
I
V
A
F
K
V
N
K
Q
L
K
T
V
N
N
Y
F
L
L
S
----
L
A
C
A
D
L
I
I
G
V
I
S
-
M
N
L
F
T
T
Y
I
I
-
M
N
--------
R
W
A
L
G
N
L
A
C
D
L
W
L
S
I
D
Y
V
-
A
S
N
A
S
V
M
N
L
L
V
I
S
F
D
R
Y
F
S
I
T
R
P
L
T
Y
-
R
A
K
---
R
T
T
K
R
A
G
V
M
I
G
L
A
W
V
I
S
F
V
L
W
A
P
--------------------------
A
I
L
F
W
Q
Y
F
---------
V
-----
G
-----
K
R
T
V
P
P
G
E
C
F
I
Q
F
L
S
E
P
T
I
T
F
G
T
--------------
A
I
A
A
F
Y
M
P
V
T
I
M
T
I
L
Y
W
R
I
Y
K
E
T
E
K
M
N
C
F
E
M
L
R
I
D
E
G
L
R
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
I
Y
K
D
C
E
G
Y
Y
T
I
G
I
G
H
-
L
L
T
K
S
P
S
L
--
N
A
A
K
S
E
L
D
K
--------------
A
--------------
I
--------
G
R
N
---------
T
N
G
V
I
T
--------
K
D
E
A
E
K
L
F
N
Q
D
V
D
----
A
A
V
R
----------------------
G
I
L
R
N
A
K
L
-----
K
-
P
V
-----
Y
D
S
L
D
A
V
R
R
C
A
L
I
N
M
V
F
Q
M
G
E
T
G
V
A
G
F
--