@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 : TSHR_HUMAN: (2016-01-15 )
MRPADLLQLVLLLDLPRDLGGMGCSSPPCECHQEEDFRVTCKDIQRIPSLPPSTQTLKLIETHLRTIPSHAFSNLPNISRIYVSIDVTLQQLESHSFYNLSKVTHIEIRNTRNLTYIDPDALKELPLLKFLGIFNTGLKMFPDLTKVYSTDIFFILEITDNPYMTSIPVNAFQGLCNETLTLKLYNNGFTSVQGYAFNGTKLDAVYLNKNKYLTVIDKDAFGGVYSGPSLLDVSQTSVTALPSKGLEHLKELIARNTWTLKKLPLSLSFLHLTRADLSYPSHCCAFKNQKKIRGILESLMCNESSMQSLRQRKSVNALNSPLHQEYEENLGDSIVGYKEKSKFQDTHNNAHYYVFFEEQEDEIIGFGQELKNPQEETLQAFDSHYDYTICGDSEDMVCTPKSDEFNPCEDIMGYKFLRIVVWFVSLLALLGNVFVLLILLTSHYKLNVPRFLMCNLAFADFCMGMYLLLIASVDLYTHSEYYNHAIDWQTGPGCNTAGFFTVFASELSVYTLTVITLERWYAITFAMRLDRKIRLRHACAIMVGGWVCCFLLALLPLVGISSYAKVSICLPMDTETPLALAYIVFVLTLNIVAFVIVCCCYVKIYITVRNPQYNPGDKDTKIAKRMAVLIFTDFICMAPISFYALSAILNKPLITVSNSKILLVLFYPLNSCANPFLYAIFTKAFQRDVFILLSKFGICKRQAQAYRGQRVPPKNSTDIQVQKVTHDMRQGLHNMEDVYELIENSHLTPKKQGQISEEYMQTVL
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.......680.......690.......700.......710.......720.......730.......740.......750.......760..
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
M
R
P
A
D
L
L
Q
L
V
L
L
L
DL
P
R
D
LGGMGCSSPPCECHQE--ED
F
R
V
T
C
K
D
I
Q
RIPS-LPPS
T
Q
T
L
K
L
I
E
T
H
L
R
T
I
P
S
H
A
F
SNLPN
I
S
R
I
Y
V
S
I
D
V
T
L
Q
Q
L
ESHSFYNL
S
K
V
T
H
I
E
I
RNTRN
L
T
YI
D
P
D
A
L
K
EL
P
L
L
K
F
L
G
I
F
N
T
G
L
K
M
F
P
D
L
T
K
VYST
D
I
F
F
I
L
E
ITDNP
Y
M
TSI
P
V
N
A
F
Q
G
L
CNE-
T
L
T
L
K
L
YNNGFT
S
V
Q
G
Y
A
FNG
T
K
L
D
A
V
Y
LNKN
K
Y
L
T
V
IDKDAFGGVYSG-P
S
L
L
D
VSQTSVTAL
P
S
K
G
L
E
H
L
K
E
L
I
A
RNT
W
T
L
K
KLP
L
S
L
S
F
L
H
L
T
R
ADLSYP
S
H
C
C
AFK
N
Q
K
K
I
R
G
I
L
E
S
L
MC
N
E
S
S
M
Q
S
L
R
Q
R
KSV
N
A
LN
S
P
L
H
Q
E
Y
E
E
NLG
D
S
IVGY
K
E
KSKFQDTHNN
A
H
Y
Y
V
F
F
EEQE
D
E
I
I
GF
G
Q
E
LKN
P
Q
E
E
T
L
Q
A
F
DSHY
D
Y
T
I
CGDSED
M
V
CTPKSDEFN
P
C
E
D
I
M
G
Y
K
F
L
R
I
V
V
W
F
V
S
L
L
A
L
L
G
N
V
--
F
V
L
L
I
L
L
TSHYKLNV
P
-
R
F
L
M
C
N
L
A
F
A
D
F
C
M
G
M
Y
L
-
L
L
I
AS
V
D
L
Y
TH
S
E
Y
Y
N
H
AIDWQTG-P-GCNTA
G
F
F
T
V
FASE
L
S
V
Y
T
L
T
V
I
T
L
E
R
W
Y
A
I
T
F
A
M
RLDR
K
I
R
L
R
H
A
C
A
I
M
V
G
G
W
V
C
C
F
L
L
A
L
L
P
L
V-GISS--
Y
--
A
-----
K
V
S
I
---
C
L
P---MDT-----ET
P
---
L
A
----
L
A
Y
I
-
V
F
V
L
T
L
-
N
-
I
V
A
F
V
I
V
C
C
C
Y
V
K
I
Y
I
T
VRNP-QYN-----------------------------------------------------------------------------------------------------------------------------------------------------------------PGD
K
D
T
-----
K
I
A
K
R
M
A
V
L
I
F
T
D
F
-
I
C
M
A
P
---
I
S
F
Y
A
L
S
A
I
LNK
P
---------
L
-
I
---
T
VSN
S
K
I
L
L
V
L
F
Y
P
L
N
SCA
N
P
F
L
Y
A
I
F
T
K
A
FQ
R
D
V
F
I
L
L
S
K
FG
I
C
K
R
Q
A
Q
A
YRGQRVPPKNST
D
I
Q
V
Q
K
V
T
H
D
M
R
Q
GLH
N
M
E
D
V
Y
E
L
I
ENSHLTPKKQG
Q
I
S
E
E
Y
M
Q
T
VL
2
PsiBlast_PDB
80.26
100%
-117
- C1 -
2XWT
4
TSHR_HUMAN
C:
[3-236]
-----------------------
C
S
S
P
P
C
E
C
H
Q
E
--
E
D
F
R
V
T
C
K
D
I
Q
R
I
P
S
-
L
P
P
S
T
Q
T
L
K
L
I
E
T
H
L
R
T
I
P
S
H
A
F
S
N
L
P
N
I
S
R
I
Y
V
S
I
D
V
T
L
Q
Q
L
E
S
H
S
F
Y
N
L
S
K
V
T
H
I
E
I
R
N
T
R
N
L
T
Y
I
D
P
D
A
L
K
E
L
P
L
L
K
F
L
G
I
F
N
T
G
L
K
M
F
P
D
L
T
K
V
Y
S
T
D
I
F
F
I
L
E
I
T
D
N
P
Y
M
T
S
I
P
V
N
A
F
Q
G
L
C
N
E
-
T
L
T
L
K
L
Y
N
N
G
F
T
S
V
Q
G
Y
A
F
N
G
T
K
L
D
A
V
Y
L
N
K
N
K
Y
L
T
V
I
D
K
D
A
F
G
G
V
Y
S
G
-
P
S
L
L
D
V
S
Q
T
S
V
T
A
L
P
S
K
G
L
E
H
L
K
E
L
I
A
R
N
T
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
79.21
100%
-119
- C1 -
3G04
8
TSHR_HUMAN
C:
[9-236]
-----------------------------
E
C
H
Q
E
--
E
D
F
R
V
T
C
K
D
I
Q
R
I
P
S
-
L
P
P
S
T
Q
T
L
K
L
I
E
T
H
L
R
T
I
P
S
H
A
F
S
N
L
P
N
I
S
R
I
Y
V
S
I
D
V
T
L
Q
Q
L
E
S
H
S
F
Y
N
L
S
K
V
T
H
I
E
I
R
N
T
R
N
L
T
Y
I
D
P
D
A
L
K
E
L
P
L
L
K
F
L
G
I
F
N
T
G
L
K
M
F
P
D
L
T
K
V
Y
S
T
D
I
F
F
I
L
E
I
T
D
N
P
Y
M
T
S
I
P
V
N
A
F
Q
G
L
C
N
E
-
T
L
T
L
K
L
Y
N
N
G
F
T
S
V
Q
G
Y
A
F
N
G
T
K
L
D
A
V
Y
L
N
K
N
K
Y
L
T
V
I
D
K
D
A
F
G
G
V
Y
S
G
-
P
S
L
L
D
V
S
Q
T
S
V
T
A
L
P
S
K
G
L
E
H
L
K
E
L
I
A
R
N
T
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
42
HHSearch
76.10
95%
-111
- C1 -
2XWT
4
TSHR_HUMAN
C:
[3-235]
-----------------------
C
S
S
P
P
C
E
C
H
Q
E
E
D
F
R
V
T
C
--
K
D
I
Q
R
I
P
S
-
L
P
P
S
T
Q
T
L
K
L
I
E
T
H
L
R
T
I
P
S
H
A
F
S
N
L
P
N
I
S
R
I
Y
V
S
I
D
V
T
L
Q
Q
L
E
S
H
S
F
Y
N
L
S
K
V
T
H
I
E
I
R
N
T
R
N
L
T
Y
I
D
P
D
A
L
K
E
L
P
L
L
K
F
L
G
I
F
N
T
G
L
K
M
F
P
D
L
T
K
V
Y
S
T
D
I
F
F
I
L
E
I
T
D
N
P
Y
M
T
S
I
P
V
N
A
F
Q
G
L
C
N
E
T
L
-
T
L
K
L
Y
N
N
G
F
T
S
V
Q
G
Y
A
F
N
G
T
K
L
D
A
V
Y
L
N
K
N
K
Y
L
T
V
I
D
K
D
A
F
G
G
V
-
Y
S
G
P
S
L
L
D
V
S
Q
T
S
V
T
A
L
P
S
K
G
L
E
H
L
K
E
L
-
I
A
R
N
T
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
27
HHSearch
61.14
22%
-142
- C2 -
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
TH
Q
-----
E
A
I
N
---
C
Y
A
---
E
E
T
CC---
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
TGTWDAYK--
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
---------------------------------------------------------------------
31
HHSearch
57.15
20%
-138
- C2 -
2Z73
5
OPSD_TODPA
A:
[34-338]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
E
T
E
I
P
A
G
E
-------------------------------------------
3
PsiBlast_PDB
56.88
40%
-103
- C1 -
1XWD
2
FSHR_HUMAN
C:
[2-240]
-----------------------
C
H
H
R
I
C
H
C
-
S
N
--
R
V
F
L
C
Q
E
S
K
V
T
E
I
P
S
D
L
P
R
N
A
I
E
L
R
F
V
L
T
K
L
R
V
I
Q
K
G
A
F
S
G
F
G
D
L
E
K
I
E
I
S
Q
N
D
V
L
E
V
I
E
A
D
V
F
S
N
L
P
K
L
H
E
I
R
I
E
K
A
N
N
L
L
Y
I
N
P
E
A
F
Q
N
L
P
N
L
Q
Y
L
L
I
S
N
T
G
I
K
H
L
P
D
V
H
K
I
H
S
L
Q
-
K
V
L
L
D
I
Q
D
N
I
N
I
H
T
I
E
R
N
S
F
V
G
L
S
F
E
-
S
V
I
L
W
L
N
K
N
G
I
Q
E
I
H
N
C
A
F
N
G
T
Q
L
D
E
L
N
L
S
D
N
N
N
L
E
E
L
P
N
D
V
F
H
G
A
-
S
G
-
P
V
I
L
D
I
S
R
T
R
I
H
S
L
P
S
Y
G
L
E
N
L
K
K
L
R
A
R
S
T
Y
N
L
K
K
L
P
T
L
E
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
56.32
40%
-101
- C1 -
1XWD
1
FSHR_HUMAN
F:
[2-234]
-----------------------
C
H
H
R
I
C
H
C
-
S
N
--
R
V
F
L
C
Q
E
S
K
V
T
E
I
P
S
D
L
P
R
N
A
I
E
L
R
F
V
L
T
K
L
R
V
I
Q
K
G
A
F
S
G
F
G
D
L
E
K
I
E
I
S
Q
N
D
V
L
E
V
I
E
A
D
V
F
S
N
L
P
K
L
H
E
I
R
I
E
K
A
N
N
L
L
Y
I
N
P
E
A
F
Q
N
L
P
N
L
Q
Y
L
L
I
S
N
T
G
I
K
H
L
P
D
V
H
K
I
H
S
L
Q
-
K
V
L
L
D
I
Q
D
N
I
N
I
H
T
I
E
R
N
S
F
V
G
L
S
F
E
-
S
V
I
L
W
L
N
K
N
G
I
Q
E
I
H
N
C
A
F
N
G
T
Q
L
D
E
L
N
L
S
D
N
N
N
L
E
E
L
P
N
D
V
F
H
G
A
-
S
G
-
P
V
I
L
D
I
S
R
T
R
I
H
S
L
P
S
Y
G
L
E
N
L
K
K
L
R
A
R
S
T
Y
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
HHSearch
55.42
19%
-139
- C2 -
3UON
4
ACM2_HUMAN (first)
A:
[25-457]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
GVRTV
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
TGTWDAYP--
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
----------------------------------------------------------------------
45
Fugue
53.54
19%
-118
* 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
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
QC
S
C
G
I
DYY
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
A
--------------------------------------------------
24
HHSearch
52.92
20%
-134
- C2 -
3ODU
6
CXCR4_HUMAN (first)
A:
[46-498]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
TGTWDAYGS
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
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
------------------------------------------------------------
34
HHSearch
52.73
19%
-146
- C2 -
2KS9
1
NK1R_HUMAN
A:
[33-324]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
ET
M
--
P
-----
S
R
V
V
---
C
M
I
---
E
W
P
-----
E
H
P
NKI
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
P
GDSSDRYH
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
-
Y
LKK
F
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
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
Y
K
V
S
R
L
E
T
T
I
S
T
V
V
G
A
---------------------------
6
PsiBlast_PDB
52.45
25%
-159
- C2 -
3C9L
11
OPSD_BOVIN
A:
[43-277]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
ETN
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
------------------------------------------------------------------
26
HHSearch
51.20
20%
-140
- C2 -
3EML
13
ENLYS_BPT4
A:
[20-469]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
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
----------------------------------------------------------------
12
PsiBlast_PDB
49.58
25%
-162
- C2 -
4PXF
5
OPSD_BOVIN
A:
[43-277]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
ETN
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
---------------------------------------------------------------------
8
PsiBlast_PDB
49.33
25%
-161
- C2 -
3DQB
3
GNAT1_BOVIN (first)
A:
[43-277]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
ETN
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
49.02
25%
-157
- C2 -
1F88
4
OPSD_BOVIN
A:
[43-277]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
ETN
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
TQK
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
A
-----------------------------------------------------
11
PsiBlast_PDB
49.00
25%
-164
- C2 -
4J4Q
7
GNAT1_BOVIN (first)
A:
[43-277]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
ETN
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
---------------------------------------------------------------------
18
PsiBlast_PDB
48.90
25%
-162
- C2 -
2I37
-
OPSD_BOVIN
A:
[43-277]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
ETN
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
R
N
C
M
V
T
T
L
C
C
G
K
N
P
L
G
---------------------------------------------------------------------
10
PsiBlast_PDB
48.89
25%
-161
- C2 -
3PXO
3
OPSD_BOVIN
A:
[43-277]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
ETN
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
---------------------------------------------------------------------
9
PsiBlast_PDB
48.72
25%
-161
- C2 -
3PQR
7
OPSD_BOVIN
A:
[43-277]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
ETN
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
---------------------------------------------------------------------