@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 : AGRF2_HUMAN: (2016-01-08 )
MGLTAYGNRRVQPGELPFGANLTLIHTRAQPVICSKLLLTKRVSPISFFLSKFQNSWGEDGWVQLDQLPSPNAVSSDQVHCSAGCTHRKCGWAASKSKEKVPARPHGVCDGVCTDYSQCTQPCPPDTQGNMGFSCRQKTWHKITDTCQTLNALNIFEEDSRLVQPFEDNIKISVYTGKSETITDMLLQKCPTDLSCVIRNIQQSPWIPGNIAVIVQLLHNISTAIWTGVDEAKMQSYSTIANHILNSKSISNWTFIPDRNSSYILLHSVNSFARRLFIDKHPVDISDVFIHTMGTTISGDNIGKNFTFSMRINDTSNEVTGRVLISRDELRKVPSPSQVISIAFPTIGAILEASLLENVTVNGLVLSAILPKELKRISLIFEKISKSEERRTQCVGWHSVENRWDQQACKMIQENSQQAVCKCRPSKLFTSFSILMSPHILESLILTYITYVGLGISICSLILCLSIEVLVWSQVTKTEITYLRHVCIVNIAATLLMADVWFIVASFLSGPITHHKGCVAATFFVHFFYLSVFFWMLAKALLILYGIMIVFHTLPKSVLVASLFSVGYGCPLAIAAITVAATEPGKGYLRPEICWLNWDMTKALLAFVIPALAIVVVNLITVTLVIVKTQRAAIGNSMFQEVRAIVRISKNIAILTPLLGLTWGFGVATVIDDRSLAFHIIFSLLNAFQVSPDASDQVQSERIHEDVL
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......------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-MGLTAYGNRRVQPGELPFGA
N
L
T
L
I
HTRAQ
P
V
I
C
------------
S
K
L
L
L
TKRV
S
P
I
S
F
F
L
S
K
F
Q
N
S--WGEDG
W
V
Q
LDQ-LPSP-----NAV----SSD
Q
V
H
CSA-GCTHR---KCGWAASKSKEKVPAR----PHGVC
D
G
VC---------T-
D
Y
S
Q
CTQPCPPD------T-------QGNMGF
S
C
-
R
Q
K
T
W
H
K
--
I
-
T
-
D
T
C
------------
Q
T
L
N
A
L
NIFEED-SRLVQPFED
N
I
K
I
S
V
YTGKS
E
-
T
I
T
D
M
L
L
Q
KCP
T
D
L
S
C
V
---
I
R
N
IQQSP----WIP
G
N
I
A
V
I
V
Q
L
L
H
N
I
S
------
T
A
I
WTGV
D
-------------
E
A
K
------
M
Q
S
Y
S
---
T
I
----
A
N
H
I
LNSKSISN
W
---
T
FIPD------------RNS
S
Y
I
L
L
HS
V
N
S
F
A
R
R
L
FIDKHPV
D
I
S
D
V
F
I
H
TMGTTISGDNIGK-
N
F
T
F
S
M
R
---------INDTSNEVT
G
R
V
L
-----------I--
S
R
D
E
L
RKVPSP--S
Q
V
I
-
S
I
A
F
P
T
I
G
--
A
I
L
E
A
S
L
L
---------------
E
NVTVNG---
L
V
L
S
A
I
L
P
K
E
------
L
K
R
I
S
L
I
F
E
K
IS
K
S
E
E
R
R
T
Q
C
VGW
H
----
S
V
E
N
R
--
W
D
Q
Q
A
C
K
M
I
Q
ENSQ
Q
A
V
CKCRP
S
K
L
F
T
S
F
S
I
L
M
S
P
H
I
L
E
S
L
-----------------
I
L
T
Y
I
T
Y
V
G
L
G
I
S
I
C
S
L
I
L
C
L
S
I
E
V
L
V
WSQVT
K
T
E
I
T
Y
L
R
H
V
C
I
V
N
-
I
A
A
T
-
L
L
M
A
D
V
W
F
----------------
I
V
-
A
S
---
F
----L----S---G-PITHHK
G
---
C
V
A
A
T
F
F
V
H
F
F
Y
L
-----
S
-
V
F
F
W
M
L
A
K
A
L
L
I
--
L
Y
G
I
M
-----
I
V
F
H
T--L--
P
-----
K
S
V
L
V
A
S
L
F
SVGYGC
P
L
A
I
A
A
I
T
V
A
ATEPGKG--Y---LR---------P
E
I
C
W
LN
W
D
---
M
------
T
----------
K
---------
A
------
L
L
A
F
V
I
P
A
L
A
I
V
V
V
---------------------
N
L
I
T
-
V
T
L
V
I
V
K
T
Q
R
A
AI
G
--------
N
-
S
-
M
F
Q
E
V
--
R
A
I
V
R
ISKN
I
A
I
L
T
P
L
L
G
L
T
WGF
G
V
A
T
VI----D----D----------------R------
S
--
L
A
F
H
I
I
F
S
L
L
N
A
FQVSPDAS
D
Q
-
V
Q
S
E
R
I
HEDVL------------
33
Fugue
76.64
16%
-83
- C1 -
2HG4
2
ERYA3_SACER
A:
[9-901]
E
E
K
L
R
R
Y
L
K
R
T
V
T
E
L
D
S
V
T
A
R
L
R
E
V
E
H
R
A
G
E
P
I
A
I
V
G
M
A
C
R
F
P
GDVD
S
P
E
S
F
W
E
F
V
S
G
G
G
D
A
I
A
E
A
P
A
D
RG
W
E
P
D
P
D
A
R
L
G
G
M
L
A
A
A
GDFDA
G
F
F
----
G
I
S
P
R
E
A
L
A
M
D
P
Q
Q
R
I
M
L
E
I
S
W
E
A
L
E
R
A
G
H
D
P
V
S
LRGS
A
T
G
V
F
T
G
V
G
---------
T
V
D
Y
G
P
R
P
D
E
A
P
D
E
------
V
-------
L
G
Y
V
G
T
G
T
-
A
S
S
V
A
S
G
--
R
-
V
-
A
Y
C
L
GLE
G
P
A
M
T
V
D
T
A
C
S
S
G
L
T
A
L
H
L
A
M
E
S
L
R
R
---
D
E
C
G
L
A
L
A
G
G
V
T
V
M
S
S
P
G
A
F
T
E
F
R
S
Q
G
G
L
A
A
DGR
C
K
P
F
S
K
A
A
D
G
F
G
L
A
E
G
A
G
V
L
V
L
Q
R
L
S
A
A
R
R
E
GRPV
L
A
V
L
R
G
S
A
-------------
V
N
Q
DGASNG
L
T
A
P
S
---
G
P
----
A
Q
Q
R
V
I
R
R
A
L
E
N
A
---
G
V
R
A
G
DVDYVEAHGTGT
R
L
G
D
P
I
E
V
H
A
L
L
S
T
Y
G
A
E
R
D
P
D
D
P
L
W
I
G
S
V
K
S
N
I
G
H
T
Q
A
A
A
G
V
A
G
V
M
K
A
V
L
A
L
R
H
GEMPRTLH
F
D
E
P
S
P
Q
I
E
W
A
V
S
-----------
V
VS
Q
A
R
S
W
P
A
G
E
R
P
--
R
R
A
G
-
V
S
S
F
G
I
S
G
--
T
N
A
H
V
I
V
E
---------------
E
A
P
E
A
D
G
P
V
P
L
V
L
S
G
R
D
E
Q
A
M
-----
R
A
Q
A
G
R
L
A
D
H
L
A
R
E
P
R
N
S
L
R
D
T
G
F
T
----
L
A
T
R
R
S
A
W
E
H
R
A
V
V
V
G
D
R
D
E
A
L
A
G
L
R
A
V
A
D
G
R
I
A
D
R
T
A
T
G
Q
A
R
T
R
R
G
V
A
M
V
F
P
G
Q
GAQWQGMA
R
D
L
L
R
E
S
Q
V
F
A
D
S
I
R
D
C
E
R
A
L
A
P
H
V
D
W
S
L
T
D
L
L
S
G
A
R
P
L
D
R
V
D
V
V
Q
P
A
-
L
F
A
V
M
V
S
L
A
A
L
W
R
S
H
GVEPA
A
V
V
G
H
S
Q
G
E
I
A
-
A
A
---
H
----
V
----
A
---
G
-
A
L
T
L
E
D
A
---
A
K
L
V
A
V
R
S
R
V
L
R
R
LGGQ
G
G
M
A
S
F
G
L
G
T
E
Q
A
A
E
--
R
I
G
R
F
AGALS
I
A
S
V
N
--
G
--
P
-----
R
S
V
V
V
A
-------
G
E
S
G
P
L
D
E
L
I
A
E
C
E
A
E
A
H
K
--
A
---
R
R
I
PVDYASHS
P
Q
V
E
S
L
R
E
E
---
L
------
L
----------
T
---------
E
------
L
-
A
G
I
S
P
V
S
A
D
V
A
L
YSTTTGQPIDTATMD
T
A
Y
W
Y
A
N
L
R
E
Q
V
R
F
Q
D
A
T
R
Q
L
A
E
A
G
--------
F
-
D
-
A
F
V
E
V
SP
H
P
V
L
T
V
G
I
E
A
T
L
D
S
A
L
P
A
D
A
G
A
C
V
V
G
T
L
R
----
R
----
D
----------------
R
------
G
G
L
A
D
F
H
T
A
L
G
E
A
Y
A
Q
G
V
E
V
D
W
S
P
A
-
F
A
D
A
R
P
V
E
L
P
V
Y
PFQ
R
Q
R
Y
W
L
P
I
28
Fugue
54.36
16%
-59
- C4 -
4DLQ
16
A:
[18-381]
-----------------------------------------------------------------------------------------------------------------------------------
V
S
----
P
E
L
F
C
E
P
R
E
VRR
V
Q
W
P
AT
Q
-
Q
G
M
L
V
E
R
P
C
P
K
G
------
T
-------
R
G
I
A
S
F
Q
C
-
L
P
A
L
G
L
----------------------
W
N
P
R
G
P
D
L
S
N
C
T
-
S
P
W
V
N
Q
V
A
Q
K
I
K
----
S
G
E
N
------------
A
A
N
I
A
S
E
---
L
A
R
H
T
R
G
S
----
I
Y
A
G
D
V
S
S
S
V
K
L
M
E
Q
L
L
------
D
I
L
D
A
Q
L
Q
A
L
RN
K
M
H
K
R
E
R
T
C
K
D
Y
------
I
K
A
V
V
---
E
T
----
V
D
N
L
L
R
P
E
A
L
E
S
W
K
D
M
N
A
T
E
Q
------------
V
H
T
A
T
M
L
L
D
V
L
E
E
G
A
F
L
L
A
-------------
D
N
V
R
E
P
A
R
F
L
A
A
K
Q
-
N
V
V
L
E
V
T
---------
V
L
S
T
E
G
Q
V
Q
E
L
V
F
PQEYASE
S
S
I
Q
L
--
S
A
N
T
I
K
Q
N
S
R
N
G
V
V
K
V
V
-
F
I
L
Y
N
N
L
G
--
L
F
L
S
T
E
N
A
TVKLA
G
E
A
G
T
GGPGG
A
S
L
V
V
N
S
---
Q
V
I
A
A
S
I
N
K
E
SSRVFL
M
D
P
V
I
F
T
V
A
H
L
E
A
K
N
H
F
N
A
N
C
S
F
W
N
Y
S
ER
S
M
L
G
Y
--
W
S
T
Q
G
C
R
L
V
E
S
N
K
T
H
T
T
C
A
C
S
H
L
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
HHSearch
46.65
11%
-111
- C4 -
1U19
11
OPSD_BOVIN
A:
[75-319]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
PHEETN
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
GSD-------------
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
------------
1
PsiBlast_PDB
44.15
21%
-93
- C4 -
4L6R
1
GLR_HUMAN
A:
[207-344]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
---
C
R
V
A
A
V
F
M
Q
Y
G
I
V
-----
A
-
N
Y
C
W
L
L
V
E
G
L
Y
L
H
N
L
L
G
L
A
---------
T
--
L
--
P
-----
E
R
S
F
F
S
L
Y
L
G
I
G
W
G
A
P
M
----
L
F
V
V
P
W
A
V
V
K
C
--
L
---
F
E
---------
N
V
Q
C
W
T
S
N
D
---
N
------
M
----------
G
---------
F
------
W
W
I
L
R
F
P
V
F
L
A
I
L
I
---------------------
N
F
F
--
I
F
V
R
I
V
Q
L
L
V
A
K
L
R
--------
A
-
R
-
Q
M
H
H
T
--
D
Y
K
F
R
L
A
K
S
T
L
T
L
I
P
L
L
G
V
H
E
V
V
F
A
F
V
T
D
----
E
----
H
----------------
A
------
Q
--
G
T
L
R
S
A
K
L
F
F
D
L
F
L
S
S
F
Q
G
L
L
V
-
A
V
L
Y
C
F
L
N
K
E
V
------------
11
HHSearch
43.64
12%
-114
- C4 -
2KS9
1
NK1R_HUMAN
A:
[67-317]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
EHP
N
------
K
IY
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
G
D
S
--------
S
D
R
-
Y
H
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
LYLKKF
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
------------
6
HHSearch
42.54
12%
-118
- C4 -
2Z73
5
OPSD_TODPA
A:
[69-327]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
FGPLEW---------
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
------------
2
PsiBlast_PDB
39.14
29%
-146
- C4 -
4K5Y
3
CRFR1_HUMAN (first)
A:
[20-108]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
N
Y
L
G
H
C
I
S
L
V
A
L
L
V
A
F
V
L
F
L
R
A
R
S
------
I
R
C
L
R
N
I
I
H
A
N
L
I
A
A
F
-
I
L
R
N
A
T
W
F
----------------
V
V
-
Q
L
---
T
----
M
----
S
-----
P
E
V
H
Q
S
N
V
G
W
C
R
L
V
T
A
A
Y
N
Y
F
H
V
-----
T
-
N
F
F
W
M
F
G
E
G
C
Y
L
--
H
T
A
I
V
-----
L
T
N
I
F
--
E
--
M
-----
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
T
E
G
Y
Y
T
I
G
I
G
H
L
L
T
K
S
P
S
--
L
---
S
V
---------
A
K
S
E
L
D
K
A
I
---
G
------
R
----------
N
---------
S
------
N
G
V
I
T
K
D
E
A
E
K
L
F
N
---------------------
Q
D
V
D
-
A
A
V
R
G
I
L
R
N
A
K
L
K
P
--------
V
-
Y
-
D
S
L
D
A
--
V
R
R
S
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
----
K
----------------
R
------
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
A
T
F
R
T
G
T
W
D
------------
18
HHSearch
38.25
13%
-124
- C4 -
2LNL
-
CXCR1_HUMAN
A:
[74-317]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
D
V
Y
L
L
N
-
L
A
L
A
-
D
L
L
F
A
L
T
L
----------------
P
I
-
W
A
---
A
----
S
K
V
--
N
---
G
-
W
I
F
G
T
F
L
---
C
K
V
V
S
L
L
K
E
V
N
F
Y
-----
S
-
G
I
L
L
L
A
C
I
S
V
D
R
--
Y
L
A
I
V
-----
H
A
T
R
T
--
L
--
T
Q----
K
R
H
L
V
K
F
V
C
L
G
C
W
G
L
S
M
N
L
S
L
P
F
F
L
F
R
Q
A
Y
H
P
--
N
---
N
S
---------
S
P
V
C
Y
E
V
L
G
---
N
DT----
A
----------
K
WRMVLRILP
H
------
T
F
G
F
I
V
P
L
F
V
M
L
F
C
---------------------
Y
G
F
-----
T
L
R
T
L
F
K
A
H
M
--------------
G
Q
------
K
H
R
A
M
R
V
I
F
A
V
V
L
I
F
L
L
C
W
L
P
Y
N
L
V
L
L
----
A
----
D
T
L
M
RTQVIQE
S
C
E
R
R
N
N
------
I
--
G
R
A
L
D
A
T
E
I
L
G
F
L
H
S
C
L
N
P
I
I
Y
A
F
I
G
Q
N
F
R
H
G
F
L
------------
16
HHSearch
35.14
12%
-136
- C4 -
3PBL
1
DRD3_HUMAN (first)
A:
[72-221]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
G
--
L
R
L
K
I
Y
K
D
T
E
G
Y
Y
T
I
G
I
G
H
L
L
T
K
S
P
S
L
N
A
----
A
----
K
----------------
S
------
E
--
L
D
K
A
I
G
R
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
-
N
Q
D
V
D
A
A
V
R
G
I
------------
7
HHSearch
32.98
9%
-137
- C4 -
3ODU
6
CXCR4_HUMAN (first)
A:
[82-236]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
T
D
K
Y
R
L
H
-
L
S
V
A
-
D
L
L
F
V
I
T
L
----------------
P
F
-
W
A
---
V
----
D
A
V
--
A
---
N
-
W
Y
F
G
N
F
L
---
C
K
A
V
H
V
I
Y
T
V
N
L
Y
-----
S
-
S
V
W
I
L
A
F
I
S
L
D
R
--
Y
L
A
I
V
-----
H
A
T
N
S
--
Q
R
P
R
-----
K
L
L
A
E
K
V
V
Y
V
G
V
W
I
P
A
L
L
L
T
I
P
D
F
I
F
A
N
-
V
S
E
--
A
---
D
D
---------
R
Y
I
C
D
R
F
Y
P
---
N
------
D
----------
L
W
V
V
V
F
Q
F
Q
H
I
------
M
V
G
L
I
L
P
G
I
V
I
L
S
C
---------------------
Y
C
I
I
-
I
S
K
L
S
H
S
G
S
N
I
F
E
M
--------
L
-
R
-
I
D
E
G
L
--
R
L
K
I
Y
K
D
T
E
G
Y
Y
T
I
G
I
G
H
L
L
T
K
S
P
S
L
N
A
A
----
K
----
S
----------------
E
------
L
--
D
K
A
I
G
R
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
N
-
Q
D
V
D
A
A
V
R
G
I
L
------------
12
HHSearch
32.84
9%
-149
- C4 -
3RZE
2
ENLYS_BPT4 (first)
A:
[42-195]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
KY
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
T
E
G
Y
Y
T
I
G
I
G
H
L
L
T
K
S
P
S
L
N
A
A
K
----
S
----
E
----------------
L
------
D
--
K
A
I
G
R
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
N
Q
-
D
V
D
A
A
V
R
G
I
L
R
------------
8
HHSearch
32.13
16%
-135
- C4 -
3V2Y
1
ENLYS_BPT4
A:
[98-246]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
Y
Y
F
I
G
N
-
L
A
L
S
-
D
L
L
A
G
V
A
Y
----------------
T
A
-
N
L
---
L
----
L
----
S
GAT
T
-
Y
K
L
T
P
A
Q
---
W
F
L
R
E
G
S
M
F
V
A
L
S
-----
A
-
S
V
F
S
L
L
A
I
A
I
E
R
--
Y
I
T
M
L
-----
K
---------------
N
N
F
R
L
F
L
L
I
S
A
C
W
V
I
S
L
I
L
G
G
L
P
I
M
G
W
---
N
C
--
I
---
S
A
---------
L
S
S
C
S
T
V
L
P
---
L
------
Y
----------
H
K
H
Y
I
L
F
---
C
------
T
T
V
F
T
L
L
L
L
S
I
V
I
L
---------------------
Y
C
R
I
-
Y
S
L
V
R
T
R
N
I
F
E
M
L
R
--------
I
-
D
-
E
G
L
R
L
--
K
I
Y
K
D
T
E
G
Y
Y
T
I
G
I
G
H
L
L
T
K
S
P
S
L
N
A
A
K
S
----
E
----
L
----------------
D
------
K
--
A
I
G
R
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
N
Q
D
-
V
D
A
A
V
R
G
I
L
R
N
------------
13
HHSearch
31.91
9%
-138
- C4 -
3UON
2
ACM2_HUMAN (first)
A:
[58-209]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
KR---
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
E
G
L
R
--
L
K
I
Y
K
D
T
E
G
Y
Y
T
I
G
I
G
H
L
L
T
K
S
P
S
L
N
A
A
K
----
S
----
E
----------------
L
------
D
--
K
A
I
G
R
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
N
Q
-
D
V
D
A
A
V
R
G
I
L
R
------------
15
HHSearch
31.42
21%
-131
- C4 -
3EML
7
ENLYS_BPT4
A:
[55-154]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
G
L
R
L
K
I
Y
K
D
T
E
G
Y
Y
T
I
G
I
G
H
L
----
L
----
T
----------------
K
------
S
--
P
S
L
N
A
A
K
S
E
L
D
K
A
I
G
R
N
T
N
G
V
I
-
T
K
D
E
A
E
K
L
F
N
Q
------------
3
PsiBlast_PDB
31.42
30%
17
- C4 -
2RNN
-
SIZ1_YEAST
A:
[21-96]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
E
L
R
N
E
V
E
E
T
I
T
-----------
L
--
M
--
E
L
L
K
V
S
E
L
--
K
D
I
C
R
S
V
S
F
P
V
S
G
R
K
A
V
L
Q
-
D
L
I
---------------
R
N
F
L
Q
N
A
---
L
V
V
G
K
S
D
P
Y
R
------
V
Q
A
V
K
F
L
I
E
R
I
R
K
N
E
P
L
P
V
Y
K
D
L
W
N
----
A
L
R
K
G
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
24
HHSearch
28.27
18%
140
- C6 -
2X57
-
VIPR2_HUMAN
A:
[51-109]
----------------------------------------------------------------------------------------------------------------------------
A
C
S
G
V
W
D
N
I
-------
T
C
W
R
P
A
---------
N
-
V
G
E
T
V
T
V
P
C
P
K
V
FSNFYS
K
-------
A
G
N
I
S
K
N
C
T
S
D
G
-
W
S
E
TF
P
-
D
F
V
D
A
------------
C
G
Y
S
D
P
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
32
Fugue
27.52
22%
86
* C4 *
1VFI
-
VBP2_ASCSS
A:
[1-95]
----------------------------------------------------------
I
S
E
F
A
P
V
D
C
K
G
--
Q
C
T
T
P
C
E
P
L
T
A
-
C
K
E
K
-----
C
A
E
S
C
ET
S
A
D
K
K
T
C
R
R
-
N
C
K
K
A
---
D
C
-----
E
P
Q
D
K
V
C
D
A
----
C
R
M
K
C
H
K
A
C
---------
R
-
A
A
N
-
C
A
S
E
C
P
K
H
------
E
HKS
D
T
C
-
R
A
C
M
K
T
N
C
-
K
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
HHSearch
27.06
9%
-110
- C4 -
2RH1
5
ADRB2_HUMAN (first)
A:
[75-175]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
SL
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
T
E
G
Y
Y
T
I
G
I
G
H
L
----
L
----
T
----------------
K
------
S
--
P
S
L
N
A
A
K
S
E
L
D
K
A
I
G
R
N
T
N
G
V
I
-
T
K
D
E
A
E
K
L
F
N
Q
------------
20
HHSearch
26.82
20%
167
- C6 -
1U34
-
CRFR2_MOUSE
A:
[69-122]
--------------------------------------------------------------------------------------------------------------------------------------------
T
C
W
P
Q
S
---------
A
-
P
G
A
L
V
E
R
P
C
P
E
Y
------
F
NGIKYNT
T
R
N
A
Y
R
E
C
L
E
N
G
T
W
A
S
--
R
V
N
Y
S
H
C
------------
E
P
I
L
D
D
K
Q
R
K
Y
D
-
L
H
Y
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
26.14
30%
80
- C2 -
2DMK
-
A:
[30-98]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
H
D
T
I
------
T
V
H
W
I
S
D
D
-------------
E
F
S
------
I
S
S
Y
E
L
Q
Y
T
I
F
T
GQ
A
N
F
I
S
L
Y
N
S
V
D
S
W
---
M
I
V
P
N
------------
I
K
Q
N
H
Y
T
V
H
G
L
Q
S
G
T
R
Y
I
F
I
V
K
A
I
N
Q
A
G
S
R
N
S
E
P
T
R
L
K
T
N
S
Q
P
F
K
S
-
G
P
S
S
G
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------