@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 : OR2D2_HUMAN: (2016-01-13 )
MRQINQTQVTEFLLLGLSDGPHTEQLLFIVLLGVYLVTVLGNLLLISLVHVDSQLHTPMYFFLCNLSLADLCFSTNIVPQALVHLLSRKKVIAFTLCAARLLFFLIFGCTQCALLAVMSYDRYVAICNPLRYPNIMTWKVCVQLATGSWTSGILVSVVDTTFILRLPYRGSNSIAHFFCEAPALLILASTDTHASEMAIFLMGVVILLIPVFLILVSYGRIIVTVVKMKSTVGSLKAFSTCGSHLMVVILFYGSAIITYMTPKSSKQQEKSVSVFYAIVTPMLNPLIYSLRNKDVKAALRKVATRNFP
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......---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-----MRQ
I
N
Q
T
Q
V
T
E
F
L
L
L
GLSD----------------G---------------P
H
T
-
E
Q
L
L
F
I
V
L
L
G
--
V
Y
L
--
V
T
V
L
G
N
L
L
L
I
S
L
VH------VDSQLHT
P
M
Y
F
F
L
CNL
S
--
L
A
D
----
L
------
C
FSTN
I
-
V
P
Q
A
L
V
H
L
-
L
-SRKK
V
I
A
--
F
-----
T
L
C
A
A
R
L
L
F
F
L
I
F
G
C
T
Q
C
A
L
L
A
V
MS--------YD
R
Y
V
A
ICNPLRYPN
I
---
M
T
W
K
V
C
V
Q
LAT-------GSWTS
G
I
L
V
S
V
-VD
T
T
F
I
L
R
L-------PYR---GSN
S
I
A
H
F
FCEA
P
A
L
L
I
----
L
ASTDT
H
A
--
S
-
E
M
A
I
F
--
L
M
G
V
V
I
------------------
L
L
I
P
V
F
L
I
L
V
SY---------------G
R
I
I
V
T
V
-----------
V
K
M
K
S
T
V-----------G--------------------
S
L
K
A
F
S
T
C
G
S
H
L
M
V
V
I
L
F------YG
S
A
I
I
T
Y
MTP----K-----S--S-
K
---
Q
---
Q
E
K
---------
S
V
S
V
F
Y
A
I
V
T
P
M
----
L
N
P
L
I
Y
S
LRNK
D
V
K
A
A
L
R
K
V
ATRNFP---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
43
Fugue
86.79
18%
-139
- C4 -
1F88
8
OPSD_BOVIN
A:
[1-348]
--------
M
N
G
T
E
G
P
N
F
Y
V
P
F
S
N
K
TGVVRSPFEAPQYYLA
E
---------------
P
W
Q
-
F
S
M
L
A
A
Y
M
F
L
--
L
I
M
--
L
G
F
P
I
N
F
L
T
L
Y
V
T
V
------
Q
H
K
K
L
R
T
P
L
N
Y
I
L
L
N
L
A
--
V
A
D
----
L
------
F
M
V
F
G
G
-
F
T
T
T
L
Y
T
S
-
L
-
H
G
Y
F
V
F
G
--
P
-----
T
G
C
N
L
E
G
F
F
A
T
L
G
G
E
I
A
L
W
S
L
V
V
L
A
--------
I
E
R
Y
V
V
V
C
K
P
M
S
N
F
R
----
F
G
E
N
H
A
I
M
G
V
A
-------
F
T
W
V
M
A
L
A
C
A
A
-
P
P
L
V
G
W
S
R
Y
-------
I
P
E
---
G
----
M
Q
C
S
C
G
I
D
---
Y
----
Y
T
P
H
E
E
T
N
--
N
-
E
S
F
V
I
--
Y
M
F
V
V
H
------------------
F
I
I
P
L
I
V
I
F
F
C
Y
---------------
G
Q
L
V
F
T
V
-----------
K
E
A
A
A
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
GSDFGPIFM
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
PSTTVSKTETS
Q
V
A
P
A-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
37
HHSearch
84.11
18%
-146
- C4 -
2Z73
5
OPSD_TODPA
A:
[34-332]
------------------------------------------------------------
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
FG---
P
LE
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
44
Fugue
82.11
19%
-128
- C4 -
1U19
15
OPSD_BOVIN
A:
[4-349]
-----
M
N
--
G
T
E
G
P
N
F
Y
V
P
F
S
N
K
T
----------------
G
VVRSPFEAPQYYLAE
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
DY
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
KEAAAQQQESA
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
FG-
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
PLGDDEA
S
T
T
V
S
K
TETSQVAPA-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
47
Fugue
80.26
19%
-126
- C4 -
2RH1
16
ADRB2_HUMAN (first)
A:
[36-477]
----------------------------------------
D
---------------
E
V
W
-
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
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
NGVI
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
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
TGTWDAYKFCL
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
QDNLIR
K
E
V
Y
I
L
L
N
W
I
G
Y
V
N
S
G
F
N
PLIYCRS
P
D
F
R
I
A
F
Q
E
L
L
CL--------------------------------------------------
45
Fugue
79.45
20%
-146
- C4 -
3ODU
6
CXCR4_HUMAN (first)
A:
[37-502]
---P
C
F
R
E
--------------
E
N
----------------
A
---------------
N
F
N
-
K
I
F
L
P
T
I
Y
S
I
--
I
F
L
--
T
G
I
V
G
N
G
L
V
I
L
V
M
G
------
Y
Q
K
K
L
R
S
M
T
D
K
Y
R
L
H
L
S
--
V
A
D
----
L
------
L
F
V
-
I
T
-
L
P
F
W
A
V
D
A
-
V
-
A
-
N
W
Y
F
G
--
N
-----
F
L
C
K
A
V
H
V
I
Y
T
V
N
L
Y
S
S
V
W
I
L
A
F
I
S
--------
L
D
R
Y
L
A
I
V
H
A
T
N
S
Q
R
P
---
R
K
L
L
A
E
K
V
V
Y
V
-------
G
V
W
I
P
A
L
L
L
T
I
-
P
D
F
I
F
A
N
V
S
-------
E
A
D
---
D
R
Y
I
C
D
R
F
Y
---------------
P
N
D
L
W
--
V
-
V
V
F
Q
F
--
Q
H
I
M
V
G
------------------
L
I
L
P
G
I
V
I
L
S
C
Y
---------------
C
I
I
I
S
K
L
-----------
S
H
S
G
S
--------------------------------------------
N
I
F
E
M
L
R
I
------
D
E
G
L
R
L
K
I
Y
K
D
----
T
-----
E
--
G
-------------------------
Y
Y
T
I
--
G
I
----
G
H
L
L
T
K
S
P
S
L
N
A
A
K
S
E
L
D
K
A
I
G
R
N
T
N
GVIT
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
FHCC
L
N
P
I
L
Y
AFLGAKFKTS
A
Q
H
A
L
TSGRPLEVLFQ
34
HHSearch
78.13
18%
-142
- C4 -
1U19
14
OPSD_BOVIN
A:
[43-326]
---------------------------------------------------------------
L
A
A
Y
M
F
L
--
L
I
M
--
L
G
F
P
I
N
F
L
T
L
Y
V
T
V
------
Q
H
K
K
L
R
T
P
L
N
Y
I
L
L
N
L
A
--
V
A
D
----
L
------
F
M
V
F
G
G
-
F
T
T
T
L
Y
T
S
-
L
-
H
G
Y
F
V
F
G
--
P
-----
T
G
C
N
L
E
G
F
F
A
T
L
G
G
E
I
A
L
W
S
L
V
V
L
A
--------
I
E
R
Y
V
V
V
C
K
P
M
S
N
F
R
----
F
G
E
N
H
A
I
M
G
V
A
-------
F
T
W
V
M
A
L
A
C
A
A
-
P
P
L
V
G
W
S
R
---------
Y
----
I
P
-
E
G
M
Q
C
S
C
G
I
D
Y
Y
T
P
-------
H
E
E
T
N
--
N
-
E
S
F
V
I
--
Y
M
F
V
V
H
------------------
F
I
I
P
L
I
V
I
F
F
C
Y
---------------
G
Q
L
V
F
T
V
-----------
K
E
A
A
A
Q
Q
-----------
Q
ESA
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
FG-
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
36
HHSearch
74.10
14%
-143
- C4 -
2KS9
1
NK1R_HUMAN
A:
[36-323]
----------------------------------------------------------------
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
I
P
G
DSSDRYH
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
NP
D
-----
L
--
Y
L
K
---
K
FI
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
32
HHSearch
67.22
19%
-129
- C4 -
2LNL
-
CXCR1_HUMAN
A:
[40-323]
-------------------------------------------------------------
Y
V
V
I
I
A
Y
A
L
--
V
F
L
--
L
S
L
L
G
N
S
L
V
M
L
V
I
L
------
Y
S
R
V
G
R
S
V
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
D
--------
T
A
K
W
--
R
-
M
V
L
R
I
--
L
P
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
R
T
QVIQE
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
K
I
L
A
M
H
G
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
48
Fugue
65.76
18%
-135
- C3 -
4BWZ
2
?
A:
[3-386]
------
G
A
E
H
L
L
E
I
F
Y
L
L
L
A
A
Q
V
C
----------------
A
---------------
F
I
F
-
K
R
L
N
Q
P
V
V
I
G
--
E
V
L
--
A
G
V
L
V
G
P
A
L
L
G
L
V
H
EG
E
I
L
E
F
L
A
E
L
G
A
V
F
L
L
F
M
V
G
L
E
TR
L
K
D
----
I
L
A
V
G
K
E
A
F
L
V
A
V
-
L
G
V
A
L
P
F
L
-
G
-
G
Y
L
Y
G
L
E
I
G
F
-----
E
T
L
P
A
L
F
L
G
T
A
L
V
A
T
S
V
G
I
T
A
R
V
L
Q
E
L
GVLSR
P
Y
S
R
I
I
L
G
A
A
V
I
D
D
V
L
G
---
L
I
V
L
A
C
V
N
G
V
A
E
TGQVE
V
G
A
I
T
R
L
I
V
L
S
V
-
V
F
V
G
L
A
V
F
L
S
T
L
IARL
P
L
E
RLP
V
G
S
P
L
G
F
A
L
A
L
G
V
G
M
A
A
----
L
A
A
S
I
G
L
A
--
P
-
I
V
G
A
F
--
L
G
G
M
L
L
S
EVREKYRL
E
E
P
I
F
A
I
E
S
F
L
A
P
I
F
F
A
M
V
G
V
R
LELSALASP
V
V
L
V
A
G
T
V
V
T
V
I
-----------
A
I
L
G
K
V
L
-----------
G
--------------------
G
F
L
G
A
L
T
Q
G
V
R
S
A
L
T
V
G
C
G
M
APRG
E
V
G
L
I
V
A
A
L
G
L
----
K
-----
A
--
G
-
A
---
V
---
N
E
E
---------
E
Y
A
I
V
L
F
M
V
V
F
T
----
T
L
F
A
P
F
A
L
K
P
L
I
A
W
T
E
R
E
R
A
A
K
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
65.24
23%
-162
- C4 -
3RZE
2
ENLYS_BPT4 (first)
A:
[11-198]
---------------------------------------------------------------
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
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
64.34
20%
-167
- C4 -
3EML
8
ENLYS_BPT4
A:
[23-221]
--------------------------------------------------------------
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
VP
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
D
V
D
A
A
V
R
G
I
L
R
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
27
HHSearch
64.11
24%
-161
- C4 -
3RZE
2
ENLYS_BPT4 (first)
A:
[11-200]
---------------------------------------------------------------
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
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
28
HHSearch
62.43
20%
-155
* C4 *
2RH1
6
ADRB2_HUMAN (first)
A:
[40-235]
------------------------------------------------------------
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
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
26
HHSearch
60.63
21%
-157
- C4 -
3UON
2
ACM2_HUMAN (first)
A:
[25-215]
--------------------------------------------------------------
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
V
R
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
30
HHSearch
60.16
22%
-145
- C4 -
3ODU
6
CXCR4_HUMAN (first)
A:
[47-239]
----------------------------------------------------------
N
-
K
I
F
L
P
T
I
Y
S
I
--
I
F
L
--
T
G
I
V
G
N
G
L
V
I
L
V
M
G
------
Y
Q
K
K
L
R
S
M
T
D
K
Y
R
L
H
L
S
--
V
A
D
----
L
------
L
F
V
-
I
T
-
L
P
F
W
A
V
D
A
-
V
--
A
N
W
Y
F
G
--
N
-----
F
L
C
K
A
V
H
V
I
Y
T
V
N
L
Y
S
S
V
W
I
L
A
F
I
S
--------
L
D
R
Y
L
A
I
V
H
A
T
N
S
Q
R
P
---
R
K
L
L
A
E
K
V
V
Y
V
-------
G
V
W
I
P
A
L
L
L
T
I
-
P
D
F
I
F
A
N
V
--------
S
-------
E
A
D
D
R
Y
I
C
D
R
F
Y
P
N
---------
D
L
W
---
V
-
V
V
F
Q
F
--
Q
H
I
M
V
G
------------------
L
I
L
P
G
I
V
I
L
S
C
Y
---------------
C
I
I
I
S
K
L
-----------
S
H
S
G
S
N
I
-----------
F
--------------------
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
T
E
------
G
Y
Y
T
I
G
I
G
H
L
L
----
T
-----
K
--
S
-
P
---
S
---
L
N
A
---------
A
K
S
E
L
D
K
A
I
G
R
N
----
T
N
G
V
I
T
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
50
Fugue
57.43
12%
-152
- C2 -
1B35
-
?
C:
[1-282]
SKPTV
Q
G
K
I
G
E
C
K
L
R
G
Q
G
R
M
A
N
F
D
----------------
G
---------------
M
D
M
-
S
H
K
M
A
L
S
S
T
N
--
E
I
E
--
T
N
E
G
L
A
G
T
S
L
D
V
M
D
------
L
S
R
V
L
S
I
P
N
Y
W
D
R
F
T
W
K
--
T
S
D
VINT
V
------
L
W
D
N
Y
V
-
S
P
F
K
V
K
P
Y
S
A
-
T
I
T
D
R
F
R
--
C
-----
T
H
M
G
K
V
A
N
A
F
T
Y
W
R
G
S
M
V
Y
T
F
K
F
V
K
--------
T
Q
Y
H
S
G
R
L
R
I
S
F
I
P
Y
Y
---
Y
N
T
T
I
S
T
G
T
P
D
-------
V
S
R
T
Q
K
I
V
V
D
L
R
T
S
T
A
V
S
F
T
V
-------
P
Y
I
---
G
S
R
P
--
W
L
Y
C
I
R
P
E
S
S
W
----
L
S
K
D
N
T
D
G
--
A
-
L
M
Y
N
C
--
V
S
G
I
V
R
------------------
V
E
V
L
N
Q
L
V
A
A
Q
-------------------------------------------------------------------------------
N
V
F
S
E
I
D
V
I
C
E
V
------
N
G
G
P
D
L
E
F
A
G
P
----
T
-----
C
--
P
-
R
---
Y
---
V
P
Y
---------
A
G
D
-----------------
F
T
L
A
D
T
R
K
I
E
A
E
R
T
Q
E
Y
S
N
N
E
D
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
33
HHSearch
56.04
19%
-158
- C4 -
3PBL
1
DRD3_HUMAN (first)
A:
[42-226]
----------------------------------------------------------------
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
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
54.14
31%
-170
- C4 -
4DAJ
1
ACM3_RAT (first)
B:
[8-120]
----------------------------------------------------------
T
I
W
Q
V
V
F
I
A
F
L
T
--
G
F
L
A
L
V
T
I
I
G
N
I
L
V
I
V
A
F
K
------
V
N
K
Q
L
K
T
V
N
N
Y
F
L
L
S
L
A
--
C
A
D
----
L
------
I
I
G
V
I
S
-
M
N
L
F
T
T
Y
I
-
I
-
M
N
R
W
A
L
G
--
N
-----
L
A
C
D
L
W
L
S
I
D
Y
V
A
S
N
A
S
V
M
N
L
L
V
I
S
--------
F
D
R
Y
F
S
I
T
R
P
L
T
Y
R
A
K
---
R
T
T
K
R
A
G
V
M
I
G
-------
L
A
W
V
I
S
F
V
L
W
A
-
P
A
I
L
F
W
Q
Y
F
-------
V
G
K
---
R
T
V
P
P
G
E
C
F
I
Q
F
L
S
E
P
T
----
I
T
F
G
T
A
I
A
--
A
-
F
Y
M
P
V
--
T
I
M
T
I
L
------------------
Y
W
R
I
Y
K
E
T
E
K
M
N
---------------
I
F
E
M
L
R
I
-----------
D
E
G
L
R
L
K
-----------
I
--------------------
Y
K
D
T
E
G
Y
Y
T
I
G
I
G
H
L
L
T
K
------
S
P
S
L
N
A
A
K
S
E
L
----
D
-----
K
--
A
-
I
---
G
---
R
N
T
---------
N
G
V
I
T
K
D
E
A
E
K
L
----
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
L
D
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
54.08
28%
-181
- C4 -
3UON
2
ACM2_HUMAN (first)
A:
[20-148]
----------------------------------------------------------
T
-
F
E
V
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
WPLG
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
V
---
R
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
N
A
K
L
K
P
V
Y
D
S
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
24
PsiBlast_CBE
53.96
31%
-171
- C4 -
4U16
1
?
B:
[8-120]
----------------------------------------------------------
T
I
W
Q
V
V
F
I
A
F
L
T
--
G
F
L
AL
V
T
I
I
G
N
I
L
V
I
V
A
F
K
------
V
N
K
Q
L
K
T
V
N
N
Y
F
L
L
S
L
A
--
C
A
D
----
L
------
I
I
G
V
I
S
-
M
N
L
F
T
T
Y
I
-
I
-
M
N
R
W
A
L
G
--
N
-----
L
A
C
D
L
W
L
S
I
D
Y
V
A
S
N
A
S
V
M
N
L
L
V
I
S
--------
F
D
R
Y
F
S
I
T
R
P
L
T
Y
R
A
K
---
R
T
T
K
R
A
G
V
M
I
G
-------
L
A
W
V
I
S
F
V
L
W
A
-
P
A
I
L
F
W
Q
Y
F
-------
V
G
K
---
R
T
V
P
P
G
E
C
F
I
Q
F
L
S
E
P
T
----
I
T
F
G
T
A
I
A
--
A
-
F
Y
M
P
V
--
T
I
M
T
I
L
------------------
Y
W
R
I
Y
K
E
T
E
K
M
N
---------------
I
F
E
M
L
R
I
-----------
D
E
G
G
G
S
G
-----------
G
--------------------
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
------
L
R
N
A
K
L
K
P
V
Y
D
----
S
-----
L
--
D
-
A
---
V
---
R
R
A
---------
A
L
I
N
M
V
F
Q
M
G
E
T
----
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
K
R
W
D
E
A
A
V
N
L
A
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------