@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 : GP101_HUMAN: (2016-01-10 )
MTSTCTNSTRESNSSHTCMPLSKMPISLAHGIIRSTVLVIFLAASFVGNIVLALVLQRKPQLLQVTNRFIFNLLVTDLLQISLVAPWVVATSVPLFWPLNSHFCTALVSLTHLFAFASVNTIVVVSVDRYLSIIHPLSYPSKMTQRRGYLLLYGTWIVAILQSTPPLYGWGQAAFDERNALCSMIWGASPSYTILSVVSFIVIPLIVMIACYSVVFCAARRQHALLYNVKRHSLEVRVKDCVENEDEEGAEKKEEFQDESEFRRQHEGEVKAKEGRMEAKDGSLKAKEGSTGTSESSVEARGSEEVRESSTVASDGSMEGKEGSTKVEENSMKADKGRTEVNQCSIDLGEDDMEFGEDDINFSEDDVEAVNIPESLPPSRRNSNSNPPLPRCYQCKAAKVIFIIIFSYVLSLGPYCFLAVLAVWVDVETQVPQWVITIIIWLFFLQCCIHPYVYGYMHKTIKKEIQDMLKKFFCKEKPPKEDSHPDLPGTEGGTEGKIVPSYDSATFP
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......
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MTSTCTNSTRESNSSHTCMPLSKM
P
I
------
S
L
A
H
------
G
I
I
R
S
T
V
L
V
I
F
L
A
-
A
S
F
-----
V
G
N
I
V
L
A
L
V
L
QRK
P
Q
L
L
Q
V
T
N
R
F
I
F
N
L
L
V
T
D
L
L
Q
I
S
LV-A
P
W
V
V
ATSV
P
-
L
-
F
WPLN
S
H
F
C
T
A
L
V
S
L
T
H
L
F
A
FASV
N
T
I
V
V
V
S
V
D
R
Y
L
S
I
IHPLS--Y
P
S
K
M
T
Q---RR
G
Y
L
L
L
Y
G
T
W
I
V
A
I
L
QSTPPL-Y-GW
G
-
Q
AAF
D
E
------
R
---
N
---
A
L
C
S
M
----I--W------GA------S-----P
S
Y
T
I
L
S
V
V
S
F
------
I
V
I
P
L
I
V
M
I
A
C
Y
S
V
V
F
C
A
A
RRQ
H
A
L
L
Y
NVKR
H
S
L
E
V
R
V
K
D
CVENE-----------DEEG
A
E
K
K
E
E
F
Q
D
E
S
E
F
R
R
Q
HEG
E
V
KAKEGRMEAKDG
S
L
K
AKEGSTGTSESSVEARG
S
E
E
V
RESSTVASDGSMEG--KEGSTKVEENSMKADKGRTEVN
Q
C
S
IDLGE
D
D
M
EFGEDDINFSED---DVEAVNIPESL----PPSR--------RNS----------NSNPPLP
R
C
YQC-KA
A
K
V
I
F
I
I
I
F
S
Y
V
---------LSLG
P
Y
-
C
F
L
A
V
L
A
V
W
V---------DVE--T--------QV
P
Q
W
V
I
T
I
I
I
W
L
F
F
L
Q
C
C
I
H
P
Y
V
Y
G
Y
M
H
K
T
I
K
K
E
I
Q
D
M
L
K
K
F
F
CKEKPPKEDSHPDLPGTEGGTE
G
K
I
VPSYDSATFP
16
PsiBlast_PDB
84.54
20%
-76
- C1 -
3PBL
2
DRD3_HUMAN (first)
A:
[41-470]
--------------------------------------------
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
SS
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
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
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
G
----------
T
W
D
A
Y
G
V
P
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
-------------------------------------
20
PsiBlast_PDB
83.95
20%
-73
- C1 -
3RZE
5
ENLYS_BPT4 (first)
A:
[26-441]
------------------------------------------------------------------
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
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
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
G
----------
T
W
D
A
Y
L
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
-------------------------------------
13
PsiBlast_PDB
83.73
20%
-84
- C1 -
4DAJ
5
ACM3_RAT (first)
A:
[21-440]
----------------------------------------------------
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
VPP
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
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
T
G
----------
T
W
D
A
Y
L
I
K
--
E
----
A
Q
T
L
S
A
I
L
L
A
F
I
---------
I
T
W
T
P
Y
-
N
I
M
V
L
V
N
T
F
C
---------
D
----
S
--------
C
I
P
K
T
Y
W
N
L
G
Y
W
L
C
Y
I
N
S
T
V
N
P
V
C
Y
A
L
C
N
K
T
F
R
T
T
F
K
T
-----------------------------------------
17
PsiBlast_PDB
82.02
20%
-74
- C1 -
3ODU
6
CXCR4_HUMAN (first)
A:
[49-491]
-------------------------------------------
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
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
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
T
G
----------
T
W
D
A
Y
G
S
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
E
I
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
----------------------------
18
PsiBlast_PDB
79.86
20%
-77
- C1 -
3OE8
1
CXCR4_HUMAN (first)
A:
[49-479]
-------------------------------------------
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
SQ
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
VG
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
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
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
G
----------
T
W
D
A
Y
----
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
E
I
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
---------------------------------------------------
14
PsiBlast_PDB
78.84
20%
-81
- C1 -
4U14
1
ENLYS_BPT4
A:
[21-442]
----------------------------------------------------
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
VPP
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
C
F
E
M
L
-----------
R
I
D
E
G
L
R
L
K
I
Y
K
D
C
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
A
V
R
R
C
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
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
C
P
N
R
A
K
R
V
I
T
T
F
R
T
G
----------
T
W
D
A
Y
L
I
K
--
E
K
-
K
A
A
Q
T
L
S
A
I
L
L
A
F
I
---------
I
T
W
T
P
Y
-
N
I
M
V
L
V
N
T
F
C
---------
D
----
S
--------
C
I
P
K
T
Y
W
N
L
G
Y
W
L
C
Y
I
N
S
T
V
N
P
V
C
Y
A
L
C
N
K
T
F
R
T
T
F
K
T
L
L
L
--------------------------------------
1
PsiBlast_PDB
78.74
20%
-74
- C1 -
3UON
4
ACM2_HUMAN (first)
A:
[24-456]
------------------------------------------------
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
V
------
R
TVE
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
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
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
P
P
P
S
R
--
E
K
-
K
V
T
R
T
I
L
A
I
L
L
A
F
I
---------
I
T
W
A
P
Y
-
N
V
M
V
L
I
N
T
F
-----------
C
A
--
P
--------
C
I
P
N
T
V
W
T
I
G
Y
W
L
C
Y
I
N
S
T
I
N
P
A
C
Y
A
L
C
N
A
T
F
K
K
T
F
K
H
L
L
M
--------------------------------------
22
Fugue
75.35
17%
-70
- C1 -
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
PN
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
GIGHLL
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
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
S
--
R
W
Y
N
Q
T
P
N
R
A
K
R
---
V
I
T
T
F
R
T
---------------------
G
T
----------
W
D
A
Y
G
S
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
-------
21
Fugue
74.52
17%
-61
- C1 -
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
ETCC
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
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
S
R
W
---
Y
N
Q
T
P
N
R
A
K
R
V
----
I
T
T
F
--------
R
T
G
----------
T
W
D
A
Y
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
---------------------------------
38
HHSearch
73.87
18%
-147
* C1 *
2Z73
5
OPSD_TODPA
A:
[27-336]
-----------------------
D
Q
V
------
P
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
RD
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
R
L
N
A
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
E
----------
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
-----------
41
HHSearch
71.03
18%
-147
- C1 -
2KS9
1
NK1R_HUMAN
A:
[29-325]
---------------------------------
A
W
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
HPNKIY
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
L
YL
K
--------
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
R
Y
L
Q
T
Q
G
S
V
Y
K
V
S
R
L
E
T
T
I
S
23
Fugue
68.25
17%
-41
- C1 -
1F88
8
OPSD_BOVIN
A:
[1-348]
M
N
G
T
E
G
P
N
F
Y
V
P
F
S
N
K
T
G
V
V
R
S
P
F
E
A
------
P
Q
Y
Y
LAE
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
YTPHEE
T
N
------
N
-----
E
S
F
V
I
Y
M
F
V
V
H
------
F
I
I
P
L
I
V
I
F
F
C
Y
G
Q
L
V
F
T
V
K
E
A
A
A
S
A
T
T
---
Q
K
A
E
K
E
V
T
R
M
V
I
I
M
-----------
V
I
A
F
L
I
C
W
L
P
Y
A
G
V
A
F
Y
I
F
T
H
Q
G
S
---
D
F
G
P
I
F
M
T
I
P
A
F
F
A
K
T
S
A
V
Y
N
P
V
I
Y
I
M
M
--
N
K
Q
F
R
N
C
M
V
T
T
L
C
C
G
K
N
P
--
S
T
T
V
S
K
T
E
T
S
Q
V
A
P
A
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
24
Fugue
65.85
15%
-111
- C1 -
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
V
V
R
S
P
F
E
A
PQYYLA
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
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
P
L
G
D
-
D
E
A
S
T
T
V
S
K
T
E
T
S
Q
V
A
P
A
-------
42
HHSearch
63.20
18%
-138
- C1 -
1U19
14
OPSD_BOVIN
A:
[36-326]
--------------------------------
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
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
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
L
G
D
D
E
A
S
T
T
V
S
K
T
E
T
S
Q
V
A
P
A
------------
2
PsiBlast_PDB
63.19
30%
-140
- C1 -
3SN6
1
R:
[183-378]
---------------------------------
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
---
Q
E
AINCYA
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
K
I
D
K
S
E
G
R
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
62.92
30%
-129
- C1 -
4LDO
3
A:
[186-378]
------------------------------------------
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
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
62.74
30%
-133
- C1 -
4QKX
2
ADRB2_HUMAN
A:
[183-378]
---------------------------------
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
-
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
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
62.33
30%
-134
- C1 -
4LDE
3
A:
[186-378]
------------------------------------------
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
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
62.18
30%
-129
- C1 -
4LDL
3
ADRB2_HUMAN
A:
[186-378]
------------------------------------------
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
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
43
HHSearch
61.77
20%
-137
- C1 -
2LNL
-
CXCR1_HUMAN
A:
[37-322]
----------------------------------
L
N
------
K
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
TAKWR
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
Q
--
V
IQE
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
-----------------------------------