@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 : TA2R_HUMAN: (2016-01-15 )
MWPNGSSLGPCFRPTNITLEERRLIASPWFAASFCVVGLASNLLALSVLAGARQGGSHTRSSFLTFLCGLVLTDFLGLLVTGTIVVSQHAALFEWHAVDPGCRLCRFMGVVMIFFGLSPLLLGAAMASERYLGITRPFSRPAVASQRRAWATVGLVWAAALALGLLPLLGVGRYTVQYPGSWCFLTLGAESGDVAFGLLFSMLGGLSVGLSFLLNTVSVATLCHVYHGQEAAQQRPRDSEVEMMAQLLGIMVVASVCWLPLLVFIAQTVLRNPPAMSPAGQLSRTTEKELLIYLRVATWNQILDPWVYILFRRAVLRRLQPRLSTRPRSLSLQPQLTQRSGLQ
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.------------------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-------------MWPNGSSLGPCFRPTNI
T
L
E
E
R
R
L
IASP
W
F
A
A
S
F
C
V
V
G
L
A
S
N
L
L
A
L
S
V
L
A
GARQGGS
H
T
R
S
S
F
L
T
F
L
C
G
L
V
L
T
D
F
L
G
L
L
V
T
-
G
T
I
V
V
SQ
H
A
A
L
F
E
W
HAVD
P
-
G
C
R
L
C
R
F
M
G
V
V
M
I
F
FG
L
S
P
L
L
L
G
A
A
M
ASE
R
Y
LGITRPFSRP
A
V
A
S
Q
R
R
A
W
A
T
V
G
L
V
W
A
A
A
L
A
L
G
L
L
P
L
LG-V
G
R
Y
T
V
--------------QY-----PG
S
W
C
-----
F
L
T
LG-----AES---G--
D
V
A
F
-
G
-
L
-
L
-
F
S
M
L
G
G
L
S
V
G
L
S
F
L
L
N
T
V
S
V
A
T
L
C
H
---
V
YH--------------------------
G
Q
E
A
-----------
A
----------------------------------------------------------------------------------------------------------------------------------------------------------
Q
QRPR
D
S
E
V
E
M
----
M
A
Q
L
L
G
I
M
V
V
A
S
-
V
C
W
L
P
-----
L
L
V
F
I
A
Q
T
V
LRNPPAMSPA-----
G
-
Q
LSRTTE
K
E
L
L
I
Y
L
R
VA
T
W
N
Q
I
L
D
P
W
V
Y
I
L
F
R
R
A
V
L
R
R
L
----
Q
P
R
LSTRPRSLSLQPQLTQ-RSGLQ------------------------------------------------------------------------------------------------------------------------------------------------------
55
HHSearch
89.16
17%
-137
- C3 -
2Z73
5
OPSD_TODPA
A:
[29-333]
-------------------------------
V
P
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
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
L
T
C
C
Q
F
D
D
K
E
T
E
-
D
D
K
D
A
------------------------------------------------------------------------------------------------------------------------------------------------------
56
HHSearch
87.21
17%
-129
- C3 -
3RZE
5
ENLYS_BPT4 (first)
A:
[10-443]
--------------------------------------
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
TGTWD--
A
Y
L
H
M
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
75
Fugue
85.21
18%
-128
- C3 -
4XNV
15
P2RY1_HUMAN (first)
A:
[38-382]
--------------------
S
F
K
C
----
A
L
T
K
T
G
F
Q
F
Y
Y
L
P
A
V
Y
I
L
V
F
I
I
G
F
L
G
N
S
V
A
I
W
M
F
V
F
H
M
K
----
P
W
S
G
I
S
V
Y
M
F
N
L
A
L
A
D
F
L
Y
V
L
T
L
-
P
A
L
I
F
Y
Y
F
N
K
T
-
D
W
I
F
G
D
A
-
M
C
K
L
Q
R
F
I
F
H
V
N
L
Y
---
G
S
I
L
F
L
T
C
I
S
A
H
R
Y
S
G
V
V
Y
P
K
S
-
L
G
R
L
K
K
K
N
A
I
C
I
S
V
L
V
W
L
I
-
V
V
V
A
I
S
P
I
L
F
-
Y
S
G
T
G
V
R
KNKTITCYDTTSD
E
Y
-----
L
R
S
Y
F
-----
I
Y
S
M
C
-----
T
T
V
---
A
MF
C
V
P
L
-
V
-
L
-
I
-
L
G
C
Y
G
L
I
V
R
A
L
I
Y
K
M
K
K
Y
T
C
T
V
C
G
Y
---
I
Y
N
PEDGDPDNGVNPGTDFKDIVCPLCGV
G
K
D
Q
-----------
F
----------------------------------------------------------------------------------------------------------------------------------------------------------
E
E
V
E
E
P
L
R
R
K
S
----
I
Y
L
V
I
I
V
L
T
V
F
A
-
V
S
Y
I
P
-----
F
H
V
M
K
T
M
N
L
R
A
R
L
D
F
Q
T
P
A
-----
M
C
A
F
N
D
R
V
Y
A
T
Y
Q
V
T
R
G
L
A
S
L
N
S
C
V
N
P
I
L
Y
F
L
A
G
D
T
F
R
R
R
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
52
HHSearch
84.26
16%
-113
- C3 -
3ODU
6
CXCR4_HUMAN (first)
A:
[43-498]
-------------------------------
N
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
TGTWDA
Y
G
S
K
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
E
I
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------
60
HHSearch
84.07
16%
-128
- C3 -
3EML
13
ENLYS_BPT4
A:
[21-472]
------------------------------------
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
ACLFE
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
--------------
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
F
----
R
K
I
I
R
S
H
V
L
R
Q
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
83.36
21%
-136
- C3 -
3DQB
4
GNAT1_BOVIN (first)
A:
[49-311]
------------------------------------------------
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
SCGID
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
K
N
----------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
83.25
21%
-141
- C3 -
1F88
6
OPSD_BOVIN
A:
[49-311]
------------------------------------------------
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
----
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
K
N
P
S
T
T
V
S
K
T
E
T
-
S
Q
V
A
P
------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
82.91
21%
-138
- C3 -
3C9M
1
OPSD_BOVIN
A:
[49-311]
------------------------------------------------
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
SCGID
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
GQL
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
C
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
K
N
P
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
57
HHSearch
82.67
16%
-131
- C3 -
2RH1
16
ADRB2_HUMAN (first)
A:
[41-477]
-------------------------------------
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
TGTWD--
A
Y
K
F
C
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
53
HHSearch
82.38
15%
-134
- C3 -
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
VR------------
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
TGTWD--
A
Y
P
P
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
81.96
21%
-141
- C3 -
3PXO
4
OPSD_BOVIN
A:
[49-311]
------------------------------------------------
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
SCGID
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
K
N
----------------------------------------------------------------------------------------------------------------------------------------------------------------------
61
HHSearch
81.79
18%
-123
- C3 -
1U19
14
OPSD_BOVIN
A:
[39-329]
-----------------------------------
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
EET
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
K
N
P
L
G
D
D
E
A
S
T
T
-
V
S
K
T
E
------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
81.58
21%
-141
- C3 -
3C9L
13
OPSD_BOVIN
A:
[49-311]
------------------------------------------------
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
SCGID
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
K
N
D
D
E
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
81.53
21%
-139
- C3 -
3PQR
9
OPSD_BOVIN
A:
[49-311]
------------------------------------------------
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
SCGID
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
K
N
----------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
81.33
21%
-137
- C3 -
3CAP
4
OPSD_BOVIN
A:
[49-311]
------------------------------------------------
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
SCGID
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
K
N
----------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
81.07
21%
-124
- C3 -
4BEY
4
OPSD_BOVIN
A:
[52-312]
------------------------------------------------
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
D
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
SCGID
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
C
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
K
N
----------------------------------------------------------------------------------------------------------------------------------------------------------------------
71
Fugue
80.73
16%
-109
- C3 -
1U19
15
OPSD_BOVIN
A:
[4-349]
MN
G
T
E
G
PNFYVPF
S
N
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
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
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
CGK
N
P
L
G
D
D
E
A
S
T
T
V
S
K
T
E
T
S
Q
-
V
A
P
A
-------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
80.70
21%
-128
- C3 -
4BEZ
3
OPSD_BOVIN
A:
[52-312]
------------------------------------------------
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
D
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
SCGID
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
C
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
K
N
----------------------------------------------------------------------------------------------------------------------------------------------------------------------
77
Fugue
80.64
18%
-116
- C3 -
3ODU
6
CXCR4_HUMAN (first)
A:
[37-502]
----------------------
P
C
F
R
E
E
N
---
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
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
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
FHCC
L
N
P
I
L
Y
AFLGAKFKTS
A
Q
H
A
L
TSGRPLEVLFQ
12
PsiBlast_PDB
79.26
21%
-126
- C3 -
2X72
5
GNAT1_BOVIN (first)
A:
[52-312]
------------------------------------------------
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
Q
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
SCGID
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
C
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
K
N
----------------------------------------------------------------------------------------------------------------------------------------------------------------------