@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 : LSHR_HUMAN: (2016-01-11 )
MKQRFSALQLLKLLLLLQPPLPRALREALCPEPCNCVPDGALRCPGPTAGLTRLSLAYLPVKVIPSQAFRGLNEVIKIEISQIDSLERIEANAFDNLLNLSEILIQNTKNLRYIEPGAFINLPRLKYLSICNTGIRKFPDVTKVFSSESNFILEICDNLHITTIPGNAFQGMNNESVTLKLYGNGFEEVQSHAFNGTTLTSLELKENVHLEKMHNGAFRGATGPKTLDISSTKLQALPSYGLESIQRLIATSSYSLKKLPSRETFVNLLEATLTYPSHCCAFRNLPTKEQNFSHSISENFSKQCESTVRKVNNKTLYSSMLAESELSGWDYEYGFCLPKTPRCAPEPDAFNPCEDIMGYDFLRVLIWLINILAIMGNMTVLFVLLTSRYKLTVPRFLMCNLSFADFCMGLYLLLIASVDSQTKGQYYNHAIDWQTGSGCSTAGFFTVFASELSVYTLTVITLERWHTITYAIHLDQKLRLRHAILIMLGGWLFSSLIAMLPLVGVSNYMKVSICFPMDVETTLSQVYILTILILNVVAFFIICACYIKIYFAVRNPELMATNKDTKIAKKMAILIFTDFTCMAPISFFAISAAFKVPLITVTNSKVLLVLFYPINSCANPFLYAIFTKTFQRDFFLLLSKFGCCKRRAELYRRKDFSAYTSNCKNGFTGSNKPSQSTLKLSTLHCQGTALLDKTRYTEC
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.......
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
---MK
Q
R
F
S
A
L
Q
L
L
K
L
L
L
LLQPP-L
P
R
A
L
R
E
A-LCPEPCNCVPD--GALRC--------PGPTAG---------
L
T
R
L
S
L
A
Y
L
P
V
KVI
P
S
Q
A
F
R
G
L
N
E
V
I
K
I
E
I
S
QID
S
L
E
R
I
E
A
N
A
F
D
N
L
L
N
L
S
E
I
L
I
QNTK-N
L
R
Y
IEPG
A
F
INLP
R
L
K
Y
L
S
I
C
N
T
G
I
R
KFP
D
V
T
K
V
FSSES
N
F
I
L
EICDN
L
H
I
T
TIPG
N
A
FQGMNNE
S
---
V
T
L
K
L
YGN
G
F
E
E
V
Q
S
HAFNG
T
-
T
L
T
S
L
E
LKENV
H
L
E
K
MHNGAFRGA-TGP
K
T
L
DIS
S
T
K
L
Q
A
L
P
S
Y
G
L
E
S
I
Q
R
L
I
ATSSY
S
L
KKLP
S
R
E
T
F
V
N
L
L
E
A
T
----LTYP
S
H
C
-
C
A
FRNLPTKEQNF
S
H
S
I
S
E
N
F
S
K
Q
C
E
S
T
V
R
KVNN
K
T
L
Y
S
S
M
L
A
E
SELSGWDYEYGFCLPKTPRC----APEPDAFN
P
C
E
D
I
M
G
Y
D
F
L
R
V
L
I
W
L
I
N
I
L
A
I
MGN
M
T
V
L
F
V
L
LTSRYKLTV
P
-
R
F
L
M
CNL
S
F
A
D
F
C
M
---
G
L
Y
L
-
L
L
I
ASVDSQTKGQYY
N
H
A
I
DWQTG-SGCST
A
G
F
F
T
V
F
ASE
L
S
V
Y
T
L
T
V
I
T
L
ER
W
H
T
I
T
Y
A
I
HL
D
--
Q
K
L
R
L
R
H
A
I
L
I
M
L
G
G
W
L
F
S
S
L
I
A
M
L
P
L
V-GVS
N
Y
--
M
------
K
V
S
I
---
C
FPM
D
V
-----
E
T
T
-
L
S
----
Q
V
Y
I
-
L
T
I
L
I
L
-
N
-
V
V
A
F
F
I
I
C
A
C
Y
I
K
I
Y
F
A
VRN
P
-----
E
L
M
-----------------------------------------------------------------------------------------------------------------------------------------------------------------ATNK
D
T
K
I
A
K
K
M
A
I
L
I
F
TDF-------------------TCMA
P
---
I
-----
S
F
F
A
I
S
---
A
A
F
K
V
P
---------
L
-
I
T
VTNS
K
V
L
L
V
L
F
Y
P
I
N
SCA
N
P
F
L
Y
A
I
F
T
K
T
F
Q
R
D
F
F
L
L
L
S
KF
G
C
-
C
K
R
R
A
E
L
Y
R
RKDF
S
A
Y
TSNCKNGFTGSNKPSQ
S
T
L
K
L
S
T
L
H
CQG
T
A
L
LDKTRYTEC
2
PsiBlast_PDB
81.14
43%
-97
- C1 -
3G04
8
TSHR_HUMAN
C:
[9-236]
---------------------------------------
E
C
H
Q
E
--
E
D
F
R
V
T
C
K
DIQRI
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
77.20
43%
-94
- C1 -
2XWT
4
TSHR_HUMAN
C:
[7-236]
-------------------------------------
P
C
E
C
H
Q
E
--
E
D
F
R
V
T
C
K
DIQRI
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
74.88
50%
-93
- C1 -
1XWD
1
FSHR_HUMAN
F:
[42-234]
------------------------------------------------------------------------------------
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
72.58
50%
-89
- C1 -
1XWD
1
FSHR_HUMAN
C:
[42-243]
------------------------------------------------------------------------------------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
42
HHSearch
71.83
20%
-132
- C2 -
3EML
13
ENLYS_BPT4
A:
[22-472]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
------------------------------------------------------
30
Fugue
69.21
19%
-111
- 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
GVVR
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
-
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
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
-------------------------------------
15
PsiBlast_PDB
69.06
21%
-132
- C2 -
3C9L
14
OPSD_BOVIN
A:
[21-315]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
AAQQQ
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
QG
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
68.32
21%
-133
- C2 -
3PXO
5
OPSD_BOVIN
A:
[21-315]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
PEGMQC
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
K
N
---------------------------------------------------------
17
PsiBlast_PDB
68.32
21%
-134
- C2 -
3DQB
6
GNAT1_BOVIN (first)
A:
[21-315]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
PEGMQC
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
QG
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
---------------------------------------------------------
45
HHSearch
68.10
22%
-124
- C2 -
2RH1
16
ADRB2_HUMAN (first)
A:
[42-477]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
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
------------------------------------------------------------
9
PsiBlast_PDB
67.96
22%
-119
- C2 -
3C9M
2
OPSD_BOVIN
A:
[21-311]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
FG
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
QQ
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
QG
S
C
F
G
P
---
I
FMTIP
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
-------------------------------------------------------------------------------
16
PsiBlast_PDB
67.87
21%
-133
- C2 -
1F88
8
OPSD_BOVIN
A:
[21-315]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
AA----
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
QG
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
----------------------------------------
41
HHSearch
67.57
22%
-123
- C2 -
3RZE
5
ENLYS_BPT4 (first)
A:
[11-443]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
TGTWDAYL--
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
------------------------------------------------------------
20
PsiBlast_PDB
67.39
21%
-133
- C2 -
4J4Q
9
GNAT1_BOVIN (first)
A:
[21-315]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
PEGMQC
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
QG
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
---------------------------------------------------------
47
HHSearch
67.38
22%
-121
- C2 -
2Z73
5
OPSD_TODPA
A:
[34-337]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
---------------------------------
18
PsiBlast_PDB
67.09
21%
-131
- C2 -
3PQR
10
OPSD_BOVIN
A:
[21-315]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
FG
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
PEGMQC
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
QG
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
---------------------------------------------------------
14
PsiBlast_PDB
66.78
21%
-134
- C2 -
3CAP
7
OPSD_BOVIN
A:
[21-315]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
PEGMQC
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
QG
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
---------------------------------------------------------
37
Fugue
63.93
15%
-79
- C1 -
2Z64
10
TLR4_MOUSE
A:
[1-599]
PCI
E
V
V
P
N
I
T
Y
Q
C
M
D
Q
K
L
S
K
V
P
D
D
I
P
S
S
T
K
N
I
D
L
S
F
N
P
L
K
I
L
K
S
--
Y
S
F
S
-----------
N
F
S
E
---------
L
Q
W
L
D
L
S
R
C
E
I
E
T
I
E
D
K
A
W
H
G
L
H
H
L
S
N
L
I
L
T
G
-
N
P
I
Q
S
F
S
P
G
S
F
S
G
L
T
S
L
E
N
L
V
A
V
E
T
--
K
L
A
S
L
E
S
F
P
I
G
Q
L
I
T
L
K
K
L
N
V
A
H
N
F
I
H
S
C
K
L
P
A
Y
F
S
N
L
T
N
L
V
H
V
D
L
S
Y
N
-
Y
I
Q
T
I
T
V
N
D
L
Q
F
L
R
E
N
P
Q
V
N
L
S
L
D
M
S
L
N
P
I
D
F
I
Q
D
Q
A
F
Q
G
I
-
K
L
H
E
L
T
L
R
G
N
F
N
S
S
N
I
M
K
T
C
L
Q
N
L
-
A
G
L
H
V
H
R
L
I
L
G
E
F
K
D
E
R
N
L
E
I
F
E
P
S
I
M
E
G
L
C
D
V
T
I
D
E
F
R
L
T
Y
T
N
D
F
S
D
D
I
V
KFHC
L
A
N
V
S
A
M
-
S
L
A
G
V
S
I
K
Y
L
E
D
V
P
K
H
F
K
W
Q
S
L
S
I
I
R
C
Q
L
K
Q
F
P
T
L
D
L
--
P
F
L
K
S
L
T
L
T
M
--------------------------
N
K
G
S
I
S
F
K
K
V
A
L
P
S
L
S
Y
L
D
-----
L
S
R
N
A
L
S
F
S
G
C
C
S
Y
S
D
L
G
T
N
-
S
L
R
H
L
D
L
S
F
N
G
-------------
A
I
I
M
S
A
N
F
M
G
-------------------------
L
E
E
L
Q
H
L
D
F
Q
H
S
T
L
K
R
V
T
E
F
S
A
F
L
S
L
E
KL
L
Y
L
D
I
S
Y
T
N
T
K
I
D
F
D
G
I
F
L
G
L
T
S
L
N
T
L
K
-
M
A
G
N
S
--
F
------
K
--------
D
N
T
L
-----
S
N
V
-
F
A
----
N
T
T
N
-
L
T
F
L
D
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
K
C
Q
L
E
Q
I
S
W
G
V
-------
F
-------------------
D
T
L
H
R
---
L
-----
Q
L
L
N
M
S
HN-
N
L
L
F
L
D
---------
S
-
S
H
Y
N
Q
L
Y
S
L
S
T
L
D
C
S
F
N
R
I
E
T
S
K
G
I
L
Q
H
F
P
K
S
L
A
F
F
N
L
T
N
N
S
V
A
C
I
C
E
H
Q
K
F
L
Q
W
V
K
E
Q
K
Q
F
L
V
N
V
E
Q
M
T
C
A
T
P
V
E
M
N
T
S
------------
L
V
L
D
F
N
N
S
T
C
55
HHSearch
63.90
27%
-78
- C1 -
1OZN
4
RTN4R_HUMAN
A:
[1-249]
---------------------------------
P
C
P
G
A
C
V
C
Y
N
E
PK
V
T
T
S
C
--------
P
Q
Q
G
L
Q
AVPVGIPAA
S
Q
R
I
F
L
H
G
N
R
I
S
H
V
P
A
A
S
F
R
A
C
R
N
L
T
I
L
W
L
H
S
N
-
V
L
A
R
I
D
A
A
A
F
T
G
L
A
L
L
E
Q
L
D
L
-
S
D
N
A
Q
L
R
S
V
D
P
A
T
F
H
G
L
G
R
L
H
T
L
H
L
D
R
C
G
L
Q
E
L
G
P
-
G
L
F
R
G
L
A
A
L
Q
Y
L
Y
L
Q
D
N
-
A
L
Q
A
L
P
D
D
T
F
R
D
L
G
N
L
T
----
H
L
F
L
H
G
N
R
I
S
S
V
P
E
R
A
F
R
G
L
H
S
L
D
R
L
L
L
H
Q
N
-
R
V
A
H
V
H
P
H
A
F
R
D
L
-
G
R
L
M
T
L
Y
L
F
A
N
N
L
S
A
L
P
T
E
A
L
A
P
L
R
A
L
Q
Y
L
R
L
---------------
N
D
--------
N
P
W
V
C
D
C
R
A
R
P
L
W
A
W
L
Q
K
F
R
G
S
S
S
E
V
P
C
S
L
P
Q
R
L
A
G
R
D
L
K
R
L
A
A
N
D
L
Q
G
C
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
40
HHSearch
60.67
21%
-120
- C2 -
3ODU
6
CXCR4_HUMAN (first)
A:
[47-498]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
--------------------------------------------------