@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 : GPR33_HUMAN: (2016-01-10 )
MDLINSTDYLINASTLVRNSTQFLAPASKMIIALSLYISSIIGTITNGLYLWVLRFKMKQTVNTLLFFHLILSYFISTMILPFMATSQLQDNHWNFGTALCKVFNGTLSLGMFTSVFFLSAIGLDRYLLTLHPVWSQQHRTPRWASSIVLGVWISAAALSIPYLIFRETHHDRKGKVTCQNNYAVSTNWESKEMQASRQWIHVACFISRFLLGFLLPFFIIIFCYERVASKVKERSLFKSSKPFKVMMTAIISFFVCWMPYHIHQGLLLTTNQSLLLELTLILTVLTTSFNTIFSPTLYLFVGENFKKVFKKSILALFESTFSEDSSVERTQT
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.-------------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MDLINST
D
Y
L
I
N
A
S
T
--------LVRNS--TQFLAP
A
S
K
M
I
I
A
L
S
L
Y
-
I
S
S
I
------
I
G
T
I-TNG
L
Y
L
---
W
-
V
-
L
-
R
-
F
K
M
K
-
Q
-
T
V
N
T
L
L
F
F
H
L
I
L
S
Y
F
I
S
T
M
-
I
-
L
P
F
M
ATSQLQDNHW
N
F
G
T
A
L
C
K
V
FNGT
L
S
L
G
M
F
T
S
V
F
F
L
S
A
IGL
D
R
Y
L
L
T
LHPVWSQQH---RTP
R
W
A
S
S
I
V
L
G
V
W
I
S
A
A
A
---
L
S-
I
P
Y
L
I
--
F
-RETHHD--RKG
K
V
T
C
QN
N
Y
A
V
STNWE
S
K
E
M
Q
A
S
R
Q
W
I
H
V
A
C
F
I
S
R
F
L
L
G
F
L
L
P
F
F
I
I
I
F
C
Y
-----------
E
R
V
-----------
A
S
K
V
------------------------------------------------
K
------
E
R
-----
S
------------------------------------------------------------------------------------------------------------------------------------------------------------------L--------------------------------------------------------------------------------------------------------------------------------------------------------------------FKSSK
P
--------
F
K
V
M
M
T
A
I
I
S
F
F
V
C
W
M
P
----
Y
H
I---HQ---
G
L
--
L
L
TTN
Q
---------
S
---
L
----------
L
------------
L
E
L
T
L
I
L
T
V
L
---------
T
T
S
F
N
TIFS
P
T
L
Y
L
F
VG
E
-----
N
F
K
K
V
F
------
K
K
S
I
L
A
L
F
E
S
TFSEDSSVERTQT-------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
90.02
28%
-133
- C2 -
4RWA
2
C562_ECOLX (first)
A:
[103-404]
-------------------------
R
N
A
YI
Q
K
Y
L
G
A
R
S
A
S
S
L
A
L
A
I
A
-
I
T
A
L
Y
S
A
V
C
A
V
G
L
L
-
G
N
V
L
V
M
---
F
G
I
-
V
-
R
-
Y
T
K
M
-
K
-
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
T
S
-
T
-
L
P
F
Q
S
A
K
Y
L
M
E
T
-
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
A
S
G
---
V
G
-
V
P
I
M
V
--
M
-
A
V
T
R
P
---
R
D
G
A
V
V
C
M
L
Q
F
P
-
S
P
S
W
---------
Y
W
D
T
V
T
-
K
I
C
V
F
L
F
A
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
LL--------------------
G
S
K
E
------------------------------------------------
K
------
D
R
-----
S
------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
R
I
T
-----------
R
M
V
L
V
V
V
G
A
F
V
V
C
W
A
P
----
I
H
I
---
F
V
I
V
W
T
L
--
V
D
I
D
R
R
---------
D
---
P
----------
L
------------
V
V
A
A
L
H
L
C
I
A
---------
L
G
Y
A
N
S
S
L
N
P
V
L
Y
A
F
L
D
E
-----
N
F
K
R
C
F
------
R
Q
L
C
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
88.33
28%
-127
- C2 -
4RWD
7
C562_ECOLX (first)
A:
[103-404]
-------------------------
R
N
A
YI
Q
K
Y
L
G
A
R
S
A
S
S
L
A
L
A
I
A
-
I
T
A
L
Y
S
A
V
C
A
V
G
L
L
-
G
N
V
L
V
M
---
F
G
I
-
V
-
R
-
Y
T
K
M
-
K
-
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
T
S
-
T
-
L
P
F
Q
S
A
K
Y
L
M
E
T
-
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
A
S
G
---
V
G
-
V
P
I
M
V
--
M
-
A
V
T
R
P
---
R
D
G
A
V
V
C
M
L
Q
F
P
-
S
P
S
W
---------
Y
W
D
T
V
T
-
K
I
C
V
F
L
F
A
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
L
L
R
L
R
S
V
R
L
L
S
-----------
G
S
K
E
------------------------------------------------
K
------
D
R
-----
S
------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
R
I
T
-----------
R
M
V
L
V
V
V
G
A
F
V
V
C
W
A
P
----
I
H
I
---
F
V
I
V
W
T
L
--
V
D
I
D
R
R
---------
D
---
P
----------
L
------------
V
V
A
A
L
H
L
C
I
A
---------
L
G
Y
A
N
S
S
L
N
P
V
L
Y
A
F
L
D
E
-----
N
F
K
R
C
F
------
R
Q
L
C
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
85.53
29%
-133
- C2 -
4N6H
23
C562_ECOLX (first)
A:
[124-407]
---------------------------------------
L
A
I
A
I
T
A
L
-
Y
S
A
V
C
A
----
V
G
L
L
-
G
N
V
L
V
M
---
F
G
I
-
V
-
R
-
Y
T
K
M
-
K
-
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
T
S
-
T
-
L
P
F
Q
S
A
K
Y
L
M
E
T
-
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
A
S
G
---
V
G
-
V
P
I
M
V
--
M
-
A
V
T
R
P
---
R
D
G
A
V
V
C
M
L
Q
F
P
-
S
P
S
W
---------
Y
W
D
T
V
T
-
K
I
C
V
F
L
F
A
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
L
L
R
L
R
S
V
R
L
L
S
-----------
G
S
K
E
------------------------------------------------
K
------
D
R
-----
S
------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
R
I
T
-----------
R
M
V
L
V
V
V
G
A
F
V
V
C
W
A
P
----
I
H
I
---
F
V
I
V
W
T
L
--
V
D
I
D
R
R
---------
D
---
P
----------
L
------------
V
V
A
A
L
H
L
C
I
A
---------
L
G
Y
A
N
S
S
L
N
P
V
L
Y
A
F
L
D
E
-----
N
F
K
R
C
F
------
R
Q
L
C
R
K
P
C
G
---------------------------------------------------------------------------------------------------------------------------------------------------------------
21
HHSearch
84.59
26%
-132
- C2 -
3ODU
6
CXCR4_HUMAN (first)
A:
[45-497]
-----------------------------------
N
F
N
K
I
F
L
P
T
I
Y
S
-
I
I
F
L
------
T
G
I
V
-
G
N
G
L
V
I
---
L
-
V
-
M
-
G
Y
Q
K
K
L
-
R
-
S
M
T
D
K
Y
R
L
H
L
S
V
A
D
L
L
F
V
I
-
T
-
L
P
F
W
A
V
D
A
V
--
A
N
W
Y
F
G
N
F
L
C
K
A
V
H
V
I
Y
T
V
N
L
Y
S
S
V
W
I
L
A
F
I
S
L
D
R
Y
L
A
I
V
H
A
T
N
S
Q
R
P
---
R
K
L
L
A
E
K
V
V
Y
V
G
V
W
I
P
A
L
L
---
L
T
-
I
P
D
F
I
--
F
-
A
N
V
S
E
---
A
D
D
R
Y
I
C
D
R
F
Y
P
N
D
-
L
------------
W
V
V
V
F
Q
F
Q
H
I
M
V
G
L
I
L
P
G
I
V
I
L
S
C
Y
-----------
C
I
I
-----------
I
S
K
L
------------------------------------------------
S
------
H
S
-----
G
------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
N
I
F
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
TEG
Y
Y
T
I
GIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
IGRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKLK
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KRW
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYGSK
G
H
Q
K
R
K
A
--------
L
K
T
T
V
I
L
I
L
A
F
F
A
C
W
L
P
----
Y
Y
I
---
G
I
---
S
I
--
D
S
F
I
L
L
EI
I
K
Q
G
C
E
F
E
---
N
----------
T
------------
V
H
K
W
I
S
I
T
E
A
---------
L
A
F
F
H
C
C
L
N
P
I
L
Y
A
F
L
G
A
-----
K
F
K
T
S
A
------
Q
H
A
L
T
S
G
R
P
L
E
V
L
F
Q
---------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
84.32
27%
-136
- C2 -
5C1M
7
?
A:
[18-296]
----------------------------------------
I
T
I
M
A
L
Y
S
I
V
C
V
------
V
G
L
F
-
G
N
F
L
V
M
---
Y
-
V
-
I
V
R
-
Y
T
K
M
-
K
-
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
T
S
-
T
-
L
P
F
Q
S
V
N
Y
L
M
G
T
-
W
P
F
G
N
I
L
C
K
I
V
I
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
C
T
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
R
N
A
K
I
V
N
V
C
N
W
I
L
S
S
A
---
I
G
-
L
P
-
V
M
--
F
-
M
A
T
T
K
Y
--
R
Q
G
S
I
D
C
T
L
T
F
S
H
P
T
W
Y
W
E
N
L
L
K
-----------
I
C
V
F
I
F
A
F
I
M
P
V
L
I
I
T
V
C
Y
-----------
G
L
M
-----------
I
L
R
L
------------------------------------------------
K
------
S
V
-----
R
------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
S
G
S
K
E
K
D
R
N
L
R
R
I
T
R
M
V
L
V
V
V
A
V
F
I
V
C
W
T
P
----
I
H
I
---
Y
V
---
I
I
K
A
L
I
T
I
P
E
---------
T
---
T
----------
F
------------
Q
T
V
S
W
H
F
C
I
A
---------
L
G
Y
T
N
S
C
L
N
P
V
L
Y
A
F
L
D
E
-----
N
F
K
R
C
F
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
27
HHSearch
84.20
23%
-130
- C2 -
3PBL
2
DRD3_HUMAN (first)
A:
[41-472]
-----------------------------------------
Y
A
L
S
Y
C
-
A
L
I
L
------
A
I
V
F
-
G
N
G
L
V
C
---
M
-
A
-
V
-
L
K
E
R
A
L
-
Q
-
T
T
T
N
Y
L
V
V
S
L
A
V
A
D
L
L
V
A
T
L
V
-
M
P
W
V
V
Y
L
E
V
T
G
G
V
W
N
F
S
R
I
C
C
D
V
F
V
T
L
D
V
M
M
C
T
A
S
I
W
N
L
C
A
I
S
I
D
R
Y
T
A
V
V
M
P
V
H
Y
Q
H
G
T
G
Q
S
S
C
R
R
V
A
L
M
I
T
A
V
W
V
L
A
F
A
---
V
S
-
C
P
L
L
F
--
G
-
F
N
T
T
G
-----
D
P
T
V
C
S
I
S
N
-------------------
P
D
F
V
I
Y
S
S
V
V
S
F
Y
L
P
F
G
V
T
V
L
V
Y
-----------
A
R
I
-----------
Y
V
V
L
------------------------------------------------
K
------
Q
R
-----
R
------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
K
N
I
F
E
M
L
R
I
D
E
GLRL
K
I
Y
K
D
TEG
Y
Y
T
I
G
IGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
T
GTWDAYGVP
L
R
E
K
K
A
--------
T
Q
M
V
A
I
V
L
G
A
F
I
V
C
W
L
P
----
F
F
L
---
T
H
---
V
L
--
N
T
H
C
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------
24
HHSearch
83.45
21%
-122
* C2 *
2Z73
5
OPSD_TODPA
A:
[31-334]
-----------------------------------
D
A
V
Y
Y
S
L
G
I
F
I
G
-
I
C
G
I
------
I
G
C
G
-
G
N
G
I
V
I
---
Y
-
L
-
F
-
T
K
T
K
S
L
-
Q
-
T
P
A
N
M
F
I
I
N
L
A
F
S
D
F
T
F
S
L
V
N
G
F
P
L
M
T
I
S
C
F
L
-
K
K
W
I
F
G
F
A
A
C
K
V
Y
G
F
I
G
G
I
F
G
F
M
S
I
M
T
M
A
M
I
S
I
D
R
Y
N
V
I
G
R
P
M
A
A
S
K
K
---
M
S
H
R
R
A
F
I
M
I
I
F
V
W
L
W
S
V
L
---
W
A
-
I
G
P
I
F
--
G
-
W
G
A
Y
T
L
--
E
G
V
L
C
N
C
S
F
D
Y
I
S
R
D
S
------------
T
T
R
S
N
I
L
C
M
F
I
L
G
F
F
G
P
I
L
I
I
F
F
C
Y
-----------
F
N
I
-----------
V
M
S
V
------------------------------------------------
S
------
N
H
-----
E
K
E
M
A
A
M
A
K
RLNAKE
L
R
K
A
Q
A
G
---------------------------------------------------------------------------------------------------------------------------------------------
A
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
A
E
M
R
L
--------
A
K
I
S
I
V
I
V
S
Q
F
L
L
S
W
S
P
----
Y
A
V
---
V
A
---
L
L
--
A
Q
F
G
P
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
-------------------------------------------------------------------------------------------------------------------------------------------------
25
HHSearch
83.25
22%
-133
- C2 -
2RH1
16
ADRB2_HUMAN (first)
A:
[40-477]
--------------------------------------
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------
43
Fugue
81.77
22%
-120
- C2 -
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
--
K
N
K
T
I
T
C
Y
D
T
--------
T
S
D
E
Y
L
R
S
Y
F
I
Y
S
M
C
T
T
V
A
M
---
F
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
TVCG
Y
I
Y
N
PEDGDPDNGVNPGTDFKDIVCPLCGVGKDQ
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
QTPAM
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
81.70
26%
-139
- C2 -
4EA3
3
C562_ECOLX (first)
A:
[121-405]
-----------------------------------
P
L
G
L
K
V
T
I
V
G
L
Y
-
L
A
V
C
------
V
G
G
L
L
G
N
C
L
V
M
---
Y
-
V
I
L
-
R
-
H
T
K
M
-
K
-
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
T
L
V
L
L
-
T
-
L
P
F
Q
G
T
D
I
L
L
-
G
F
W
P
F
G
N
A
L
C
K
T
V
I
A
I
D
Y
Y
N
M
F
T
S
T
F
T
L
T
A
M
S
V
D
R
Y
V
A
I
C
H
P
----------
T
S
S
K
A
Q
A
V
N
V
A
I
W
A
L
A
S
V
---
V
G
-
V
P
V
A
I
--
M
-
G
S
A
Q
V
E
--
D
E
-
E
I
E
C
L
V
E
I
P
T
P
Q
D
Y
----------
W
G
P
V
F
A
-
I
C
I
F
L
F
S
F
I
V
P
V
L
V
I
S
V
C
Y
-----------
S
L
M
I
R
R
L
RGVRLLS
G
S
R
E
------------------------------------------------
K
------
D
R
-----
N
------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
R
I
T
R
L
--------
V
L
V
V
V
A
V
F
V
G
---
C
W
T
P
----
V
Q
V
F
V
L
A
Q
---
G
L
--
G
V
Q
P
S
S
---------
E
---
T
----------
A
------------
V
A
I
L
R
F
C
T
A
L
---------
G
Y
-
V
N
S
C
L
N
P
I
L
Y
A
F
L
D
E
-----
N
F
K
A
C
F
------
R
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------
26
HHSearch
79.16
21%
-133
- C2 -
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
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------
45
Fugue
77.36
22%
-120
- C2 -
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
TEG
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
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NA
K
L
K
P
V
Y
D
S
LD
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
22
HHSearch
76.96
19%
-134
- C2 -
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
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
74.87
17%
-120
- C2 -
3EML
13
ENLYS_BPT4
A:
[19-472]
------------------------------------
M
G
S
S
V
Y
I
T
V
E
L
-
A
I
A
V
------
L
A
I
L
-
G
N
V
L
V
C
---
W
-
A
-
V
-
W
L
N
S
N
L
-
Q
-
N
V
T
N
Y
F
V
V
S
L
A
A
A
D
I
A
V
G
V
L
A
-
I
P
F
A
I
T
I
S
---
T
G
F
C
A
A
C
H
G
C
L
F
I
A
C
F
V
L
V
L
T
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
R
I
P
L
R
Y
N
G
L
---
V
T
G
T
R
A
K
G
I
I
A
I
C
W
V
L
S
F
A
---
I
G
-
L
T
P
M
L
--
G
-
W
N
N
C
G
Q
-----
S
Q
G
C
G
E
G
Q
V
A
C
-
L
F
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
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
74.74
24%
-134
- C2 -
4GBR
1
ADRB2_HUMAN
A:
[5-270]
----------------------------------------
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
T
K
T
-
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
Q
KI
D
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
74.67
24%
-136
- C2 -
4QKX
2
ADRB2_HUMAN
A:
[182-447]
----------------------------------------
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
K
T
-
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
HW
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
QLQ---
K
-----
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
74.45
24%
-136
- C2 -
4LDE
3
A:
[182-447]
----------------------------------------
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
T
K
T
-
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
HW
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
QLQ---
K
-----
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
41
Fugue
73.77
16%
-94
- C2 -
1F88
8
OPSD_BOVIN
A:
[1-348]
M
N
G
T
E
G
P
N
F
Y
V
P
F
S
N
KTGVVRSP
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
AASAT
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-----------------------------------------------------------------------------------------------------------------------------------------------
33
HHSearch
73.20
19%
-115
- C2 -
2KS9
1
NK1R_HUMAN
A:
[31-326]
-------------------------------------
Q
I
V
L
W
A
A
A
Y
T
-
V
I
V
V
------
T
S
V
V
-
G
N
V
V
V
M
---
W
-
I
-
I
-
L
A
H
K
R
M
-
R
-
T
V
T
N
Y
F
L
V
N
L
A
F
A
E
A
S
M
A
A
F
N
-
T
V
V
N
F
T
Y
A
V
H
-
N
E
W
Y
Y
G
L
F
Y
C
K
F
H
N
F
F
P
I
A
A
V
F
A
S
I
Y
S
M
T
A
V
A
F
D
R
Y
M
A
I
I
H
P
L
Q
P
R
L
-----
S
A
T
A
T
K
V
V
I
C
V
I
W
V
L
A
L
L
---
L
A
-
F
P
Q
G
Y
--
Y
-
S
T
T
E
T
---
M
P
S
R
V
V
C
M
I
E
W
P
E
H
P
N
K
----
I
------
Y
E
K
V
Y
H
I
C
V
T
V
L
I
Y
F
L
P
L
L
V
I
G
Y
A
Y
-----------
T
V
V
-----------
G
I
T
L
------------------------------------------------
W
------
A
S
-----
E
IPGDSSDRYH
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
YLK
K
----------
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
-------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
70.81
22%
-155
- C2 -
4XT1
13
US28_HCMVA
A:
[55-318]
-----------------------------------------------------------
G
S
I
-
G
N
F
L
V
I
---
F
-
T
-
I
-
T
-
W
R
R
R
I
Q
-
C
S
G
D
V
Y
F
I
N
L
A
A
A
D
L
L
F
V
C
-
T
-
L
P
L
W
M
Q
Y
L
L
--
D
-----
S
V
P
C
T
L
L
T
A
C
F
Y
V
A
M
F
A
S
L
C
F
I
T
E
I
A
L
D
R
Y
Y
A
I
V
Y
----
M
R
Y
---
R
P
V
K
Q
A
C
L
F
S
I
F
W
W
I
F
A
V
I
---
I
A
-
I
P
H
F
M
--
V
-------------
V
T
K
K
D
N
Q
C
M
-
T
D
Y
D
Y
L
E
V
S
Y
P
-----
I
I
L
N
V
E
L
M
L
G
A
F
V
I
P
L
S
V
I
S
Y
C
Y
-----------
Y
R
I
-----------
S
R
I
V
------------------------------------------------
A
------
V
S
-----
Q
------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
H
K
G
R
I
--------
V
R
V
L
I
A
V
V
L
V
F
I
I
F
W
L
P
----
Y
H
L
---
T
--------
L
F
V
D
T
L
---------
K
---
L
----------
L
KW
I
S
S
S
C
E
F
E
R
S
L
K
R
A
L
I
L
T
E
S
---------
L
A
F
C
H
C
C
L
N
P
L
L
Y
V
F
V
G
T
-----
K
F
R
Q
E
L
------
H
C
L
L
A
E
F
R
----------------------------------------------------------------------------------------------------------------------------------------------------------------