@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 : O52E1_HUMAN: (2016-01-12 )
MNTTLFHPYSFLLLGIPGLESMHLWVGFPFFAVFLTAVLGNITILFVIQTDSSLHHPMFYFLAILSSIDPGLSTSTIPKMLGTFWFTLREISFEGCLTQMFFIHLCTGMESAVLVAMAYDCYVAICDPLCYTLVLTNKVVSVMALAIFLRPLVFVIPFVLFILRLPFCGHQIIPHTYGEHMGIARLSCASIRVNIIYGLCAISILVFDIIAIVISYVQILCAVFLLSSHDARLKAFSTCGSHVCVMLTFYMPAFFSFMTHRFGRNIPHFIHILLANFYVVIPPALNSVIYGVRTKQIRAQVLKMFFNK
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......------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-------------------------MNT
T
---------------
L
FH
P
Y
S
F
L
L
LGIPGLE
S
M
H
L
W
V---
G
F
P
---
F
F
A
V
F
L
T
A
V
L------GN
I
T
I
L
F
V
I
QTDSSLH
H
-
P
M
F
Y
F
L
A
I
L
S
SIDPGLST
S
T
-
I
P
----------
K
M
L
G
T
F
W
F
----
T
L
R
E
---
I
S
F
E
G
C
L
T
Q
M
F
------
F
I
H
L
CTG
M
E
-----
S
A
V
--------
L
V
A
M
AY-----
D
C
Y
V
A
--------
I
C
D
--------------------
P
L
C
Y
T
-
L
V
-----
L
T
---------------
N
K
V
V
S
V
M
A
L
A
I
F
L
-
R
P
L
V
F
V
I
P
F
---------
V
L
F
I
L
RLP-----FCGHQIIPHTY--------GEHMG-------
I
A
R
----
L
S
-----------
C
A
--------
S
I
-
R
V
N
-
I
I
Y
G
L
------
C
-
A
I
S
I
L
V
F
--
D
--
I
----
I
A
I
V
I
---
S
Y
V
Q
I
L
C
A
V
------
F
L
-LSS-----------------------------------------------------------------------------------------------------------------------------------------------------------------H-------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
A
---
R
L
K
A
F
S
TC-G
S
---------
H
V
C
V
M
L
T
F
---
Y
--
M
P
A
F
F
S
F
M
T
--
H
R
FGRN----------
I
--
P
-----
H
--
F
I
H
I
L
L
AN
F
Y
V
V
I----------PP
A
L
N
S
V
I
Y
GV
R
T
K
Q
I
R
A
Q
V
L
K
M
F
FNK------------------------
41
Fugue
89.40
19%
-166
- C4 -
1F88
8
OPSD_BOVIN
A:
[1-348]
-------------------------
M
N
G
T
E
G
PNFYVPFSNKTGV
V
R
S
P
F
E
A
P
Q
Y
Y
L
A
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
--------------
G
-------
M
-
Q
----
C
S
-----------
C
G
I
DYYTPHE
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
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
KNPSTTVSKTETS
Q
V
A
P
A------
25
HHSearch
89.07
17%
-165
* C4 *
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
N
----------
L
--
I
-----
R
--
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
-------------------------
24
HHSearch
84.51
16%
-158
- C4 -
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
K
N
----------
C
--
C
-----
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
-------------------------
20
PsiBlast_PDB
83.75
23%
-188
- C4 -
4QKX
2
ADRB2_HUMAN
A:
[179-447]
--------------------------------------------------------------
E
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
C
I
L
T
KT
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
QLQK
F
A
-
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
N
L---------
I
--
R
-----
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
--------------------------
32
HHSearch
80.67
15%
-154
- C4 -
2KS9
1
NK1R_HUMAN
A:
[34-322]
----------------------------------------------------------------
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
----------
L
YL
K
KF---
I
--
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
------------------------
29
HHSearch
78.32
15%
-162
- C4 -
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
Q
T
C---------
H
--
V
-----
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
-------------------------
26
HHSearch
77.75
17%
-166
- C4 -
3EML
13
ENLYS_BPT4
A:
[22-468]
---------------------------------------------------------------
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
E
D
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
P
D
CS--------
H
--
A
-----
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
------------------------
35
HHSearch
76.97
16%
-154
- C4 -
2Z73
5
OPSD_TODPA
A:
[32-332]
------------------------------------------------------------
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
L
----------
E
W-
V
-----
T
--
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
------------------------
33
HHSearch
76.35
17%
-149
- C4 -
1U19
14
OPSD_BOVIN
A:
[41-324]
---------------------------------------------------------------
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
QQESA
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
G
S---------
D
--
F
-----
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
------------------------
42
Fugue
75.38
16%
-150
- C4 -
1U19
15
OPSD_BOVIN
A:
[4-349]
----------MN
G
T
E
G
PNFYVPFSN
K
T
G
V
---------------
V
R
S
P
F
E
A
P
Q
Y
Y
L
A
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
G
----------
S
--
D
F----
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
KNPLGDDEA
S
T
T
V
S
K
TETSQVAPA
23
HHSearch
75.26
14%
-158
- C4 -
3UON
4
ACM2_HUMAN (first)
A:
[24-457]
---------------------------------------------------------------
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
TGTWDAYPP
P
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
A
P
----------
C
--
I
-----
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
--------------------------
28
HHSearch
74.57
14%
-151
- C4 -
3ODU
6
CXCR4_HUMAN (first)
A:
[47-494]
-------------------------------------------------------------
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
------------------------
34
HHSearch
73.86
15%
-154
- C4 -
3V2Y
1
ENLYS_BPT4
A:
[61-494]
------------------------------------------------------------
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
V
----------
K
--
T
-----
C
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
------------------------
44
Fugue
72.60
18%
-206
- C3 -
3ZPJ
-
?
A:
[1-356]
-------------------------------------------------------
M
T
T
L
E
E
I
N
L
L
V
---
E
R
G
---
Y
Y
E
E
A
L
A
K
V
Y
EIED
P
I
E
Q
V
Q
V
L
T
K
I
V
V
T
I
Y
Q
H
D
G
P
M
E
W
I
P
S
I
M
E
D
A
M
Y
I
A
K
K
L
R
-
D
P
----------
A
N
K
A
V
A
Y
S
I
I
A
S
T
L
A
I
---
M
E
Y
E
E
D
A
M
D
F
F
N
R
----
A
I
D
E
A
N
E
I
E
S
P
I
E
K
G
M
V
--------
L
S
T
L
A
Y
-----
H
L
A
I
A
GY
P
D
N
A
L
E
I
F
N
--------------------
I
A
F
D
T
-
I
I
G
AETS
Y
T
---------------
H
K
V
D
G
I
L
R
I
G
D
L
L
-
E
K
A
G
D
T
L
P
----------
S
N
E
A
M
D
F
Y
-----
K
M
A
F
D
I
F
D
K
L
H
V
N
Q
R
A
A
I
V
E
K
K
I
E
-------
L
A
K
T
V
YD
V
G
-----------
L
P
--------
Q
I
-
R
A
A
-
L
L
K
G
K
------
N
-
H
Y
A
L
A
I
I
--
K
--
K
K
YSG
V
M
R
L
I
---
G
E
L
E
V
A
L
W
M
------
K
R
-
V
N
N
ME
Y
--------------------------------------------------------------------------------------------------------------------------------------------------------------
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
V
---
V
D
K
A
F
E
C
C
-
E
S
PRFT
D
V
N
V
Q
H
I
A
R
L
L
T
E
---
L
GN
L
R
R
A
L
K
F
A
K
E
I
Q
N
I
H
K
R
----------
S
--
E
-----
A
--
L
K
A
I
A
L
E
L
V
R
R
K
K
----------
F
E
E
V
K
K
I
I
E
S
I
P
D
P
K
I
R
E
E
A
L
N
E
I
G
T
I
E-----------------------
30
HHSearch
70.68
14%
-155
- C4 -
2LNL
-
CXCR1_HUMAN
A:
[36-323]
-----------------------------------------------------------
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
T
QVIQE
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
------------------------
48
Fugue
66.68
17%
-184
* C2 *
1WCD
-
POLS_IBDVC
J:
[11-431]
IVPFIRSLLMPTTGPASIPDDTLEK
H
T
L
R
---------------
S
E
T
S
T
Y
N
L
T
V
G
D
T
G
S
G
L
I
V
F
F
P
---
G
F
P
GSI
V
G
A
H
Y
T
L
Q
G
N
------
G
N
Y
K
F
D
Q
M
L
L
T
A
Q
N
L
P
A
-
S
Y
N
Y
C
R
L
V
S
R
S
L
T
--
V
R
S
S
T
-
L
P
----------
G
G
V
Y
A
L
N
G
----
T
I
N
A
---
V
T
F
Q
G
S
L
S
E
L
T
DVSYNG
L
M
S
A
T
A
N
I
N
-----
D
K
I
GNVLVGEG
V
T
V
L
S
L
PTSYD
L
G
Y
V
R
--------
L
G
D
PIPAIGLDPKMVATCDSSDR
P
R
V
Y
T
-
I
T
-----
A
A
DDYQFSSQYQPGGVT
I
T
L
F
S
A
N
I
D
A
I
T
S
-
L
S
V
G
G
E
L
V
F
RTSVHGLVL
G
A
T
I
Y
L
I
G
-----
F
D
G
T
T
V
I
T
R
A
V
--------
A
A
N
N
G
LTTGTDN
L
M
P
----
F
N
LVIPTNEITQP
I
T
--------
S
I
-
K
L
E
-
I
V
T
S
K
SGGQAG
D
-
Q
M
S
W
S
A
R
--
G
--
S
----
L
A
V
T
I
HGG
N
Y
P
G
A
L
R
P
V
------
T
L
-
V
A
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
E
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
V
---
A
T
G
S
V
V
T
V
-
A
G
---------
V
S
N
F
E
L
I
P
---
N
---
P
E
L
A
K
N
L
V
--
T
E
Y
G
R
F
----------
D
--
P
-----
G
--
A
M
N
Y
T
K
L
I
L
S
E
R
D
----------
R
L
G
I
K
T
V
W
P
---
T
R
E
Y
T
D
F
R
E
Y
F
M
E
V
A
D-----------------------
49
Fugue
63.66
13%
-158
- C1 -
4UX8
-
GFRA1_RAT
C:
[25-343]
------------DRLDCVKASDQCL
K
E
Q
S
---------------
C
S
T
K
Y
R
T
L
R
Q
C
V
A
G
K
E
T
N
F
------------------
S
L
T
S
------
G
L
E
A
K
D
E
C
R
S
A
M
E
A
L
K
Q
-
K
S
L
Y
N
C
R
C
K
R
G
M
K
K
--------
E
----------
K
N
C
L
R
I
Y
W
----
S
M
Y
Q
---
S
K
G
N
N
C
L
D
A
A
K
------
A
C
N
L
-
D
D
T
C
-----
K
K
Y
--------
R
S
A
Y
I
T
-----
P
C
T
T
S
--------
M
S
N
--------------------
E
V
C
---------------------------
N
R
R
K
C
H
K
A
L
R
Q
F
F
-
D
K
V
P
A
K
H
S
Y
---------
G
M
L
----------
F
C
S
C
R
----------------------------
D
----
I
A
-----------
C
T
--------
E
R
-
R
R
Q
-
T
I
V
P
V
------
C
-
S
Y
E
E
R
E
R
--
P
NC
L
----
S
L
Q
D
S
---
C
K
T
N
Y
I
C
R
S
------
R
L
-
A
D
F
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
N
CQP
E
S
R
S
V
S
N
C
L
K
E
---------
N
Y
A
D
C
L
L
A
---
Y
--
S
G
L
I
G
T
V
M
T
--
P
N
Y
V
D
S
----------------------------
S
S
L
S
V
A
P
WCDCSNSGND
L
E
D
C
L
K
F
L
N
F
F
K
D
N
T
C
L
K
N
A
I
Q
A
F
G
N
G
------------------------
13
PsiBlast_PDB
60.60
24%
-147
- C4 -
4UG2
3
?
A:
[15-166]
-----------------------------------------------------------------------------
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
A
A
A
A
D
I
L
V
G
V
L
A
-
I
P
----------
F
A
I
A
I
S
------
T
G
F
C
---
A
A
C
H
G
C
L
F
I
A
C
------
F
V
L
V
L
T
A
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
P
K
E
G
K
A
H
--------
S
Q
G
C
G
-------
E
G
Q
----
V
A
-----------
C
L
--------
F
E
-
D
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
A
---
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
P
D
C
S
H
A
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
------------------------
5
PsiBlast_PDB
60.56
24%
-170
- C4 -
4EIY
19
AA2AR_HUMAN (first)
A:
[39-191]
----------------------------------------------------------------------------
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
GFC
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
P
K
E
G
K
N
H
--------
S
Q
G
C
G
-------
E
G
Q
----
V
A
-----------
C
L
--------
F
E
-
D
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
A
---
D
L
E
D
N
W
E
T
-
L
N
---------
D
N
L
K
V
I
E
K
---
A
--
D
N
A
A
Q
V
K
D
A
--
L
T
K
M
R
A
----------
A
--
A
-----
L
--
D
A
Q
K
M
K
D
F
R
H
G
F
D
----------
I
L
V
G
Q
I
D
D
A
L
K
L
A
N
E
G
K
V
K
E
A
Q
A
A
A
E
Q
------------------------
1
PsiBlast_PDB
59.88
24%
-177
- C4 -
3VG9
4
?
A:
[14-166]
----------------------------------------------------------------------------
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
GFC
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
E
-
D
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
K
---
Q
M
E
S
Q
P
L
P
-
G
E
---------
R
A
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
----------
P
D
C
S
H
A
P
L
W
L
M
Y
L
A
I
V
L
S
H
T
N
S
V
V
N
P
F
------------------------