@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 : GPR18_HUMAN: (2016-01-10 )
MITLNNQDQPVPFNSSHPDEYKIAALVFYSCIFIIGLFVNITALWVFSCTTKKRTTVTIYMMNVALVDLIFIMTLPFRMFYYAKDEWPFGEYFCQILGALTVFYPSIALWLLAFISADRYMAIVQPKYAKELKNTCKAVLACVGVWIMTLTTTTPLLLLYKDPDKDSTPATCLKISDIIYLKAVNVLNLTRLTFFFLIPLFIMIGCYLVIIHNLLHGRTSKLKPKVKEKSIRIIITLLVQVLVCFMPFHICFAFLMLGTGENSYNPWGAFTTFLMNLSTCLDVILYYIVSKQFQARVISVMLYRNYLRSMRRKSFRSGSLRSLSNINSEML
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)
---------
M
I
TLNNQDQPV------PFNSSH----------------P
D
E
Y
K
I
A
A
L
V
F
Y
S
C
I
F
I
I
G
L
F
V
N
I
T
A
L
W
V
F
SCTTKK
R
T
T
V
T
I
Y
M
M
N
V
A
L
V
D
L
I
F
I
-
M
-T--L
P
F
R
M
F
Y
Y
-A-K-D-EW
P
F
G
E
Y
F
C
Q
I
L
G
A
L
T
V
--
F
Y
P
S
I
--
A
L
W
L
L
A
F
ISAD
R
Y
M
A
I
VQ
P
-
K
Y
A
K
E
L
---
K
N
T
C
K
A
V
L
A
C
V
G
V
W
I
M
T
LTTTT
P
L
L
L
L
-
Y
KDPDK--DSTP
A
T
C
L
-----
K
I
-
S
D
I
I
Y
L
-
K
A
V
N
V
L
N
L
T
R
L
T
F
F
-----
F
L
----
I
P
L
F
I
M
I
G
C
Y
---
L
V
I
I
H
N
L
L----H---------------------------------------------G----R---T--SK---------------------------------------------------------------------------------------------------------------------------------------------------------------L---------------------------------------------------------------------------------------------------------------------------------------------------------------KPKVKEK
S
I
R
I
I
I
T
L
---------
L
V
Q
V
L
V
C
F
M
P
F
H
-
I
C
F
A
F
-----------
L
M
LGT-G---------EN-------S---Y---N--P-
W
G
A
F
--
T
T
F
L
M
N
L
S
T
C
L
D
V
I
L
Y
Y
-----------------
I
V
S
K
Q
F
Q
A
R
V
I
S
V
M
L
Y
R
N
Y
L
R
S
M
R
R
K
SFRSGS
L
R
-
S
L
S
N
INSEML-----------------------------------------------------------------------------------------------------------------------
40
Fugue
91.25
23%
-158
- C3 -
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
PEDGDPDNGVNPGTDFKDIVCPLCGVGK--
D
----
Q
---
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
-------
Q
---
T
---
P
--
A
-
M
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
------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
87.43
23%
-161
- C3 -
4XNV
15
P2RY1_HUMAN
A:
[57-382]
-----------------------------------------------------------
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
PEDGDPDNGVNPGTDFKDIVCPLCGV----
G
----
K
---
D
Q
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
DFQTP
A
M
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
85.62
23%
-161
- C3 -
4XNW
2
RUBR_CLOPA
A:
[57-382]
-----------------------------------------------------------
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
L
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
PEDGDPDNGVNPGTDFKDIPDDWVCPLCGV
G
----
K
---
D
Q
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
DFQTP
A
M
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------
24
HHSearch
83.73
25%
-159
- C3 -
3ODU
6
CXCR4_HUMAN (first)
A:
[46-496]
--------------------------------------------------
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
TGTWDAYG
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
-------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
82.76
26%
-173
- C3 -
5C1M
7
?
A:
[18-293]
-----------------------------------------------------
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
MLS
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
----------------------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
81.46
19%
-165
* C3 *
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
GTWDAYG
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
----------------------------------------------------------------------------------------------------------------------------------------------------
23
HHSearch
79.94
17%
-166
- C3 -
3RZE
5
ENLYS_BPT4 (first)
A:
[11-443]
-------------------------------------------------------
L
V
V
V
L
S
T
I
C
L
V
T
V
G
L
N
L
L
V
L
Y
A
V
R
S
E
R
K
L
H
T
V
G
N
L
Y
I
V
S
L
S
V
A
D
L
I
V
G
A
V
-
V
--
M
P
M
N
I
L
Y
L
-
L
-
M
-
S
-
K
W
S
L
G
R
P
L
C
L
F
W
L
S
M
D
Y
--
V
A
S
T
A
--
S
I
F
S
V
F
I
L
C
I
D
R
Y
R
S
V
Q
Q
P
-
L
R
Y
L
K
Y
---
R
T
K
T
R
A
S
A
T
I
L
G
A
W
F
L
S
F
L
W
V
I
P
I
L
G
--
W
N
H
------
R
R
E
D
K
C
E
-----
T
D
-
F
Y
D
------
V
T
W
F
K
V
M
T
A
I
I
N
-----
F
Y
----
L
P
T
L
L
M
L
W
F
Y
---
A
K
I
Y
K
A
V
R
----
Q
---------------------------------------------
H
----
C
---
N
--
I
F
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
TEG
Y
Y
T
I
G
IGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKL
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAY--
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
----------------------------------------------------------------------------------------------------------------------------------------------------
22
HHSearch
79.57
16%
-152
- C3 -
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
TGTWDAY--
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
----------------------------------------------------------------------------------------------------------------------------------------------------
21
HHSearch
77.45
15%
-155
- C3 -
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
TGTWDAY--
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
-----------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
76.23
26%
-140
- C3 -
2LNL
-
CXCR1_HUMAN
A:
[39-320]
----------------------------------------------------
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
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
-
Q
VIQE
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
--------------------------------------------------------------------------------------------------------------------------------------------------
43
Fugue
76.07
22%
-127
- C3 -
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
-
G
---------
R
N
-------
T
---
N
GVI
T
--
K
-
D
E
A
E
--
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
AKLK
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
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
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
27
HHSearch
75.56
24%
-136
- C3 -
2LNL
-
CXCR1_HUMAN
A:
[37-323]
--------------------------------------------------
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
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
---------
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
--------------------------------------------------------------------------------------------------------------------------------------------------
41
Fugue
75.14
17%
-124
- C3 -
1F88
8
OPSD_BOVIN
A:
[1-348]
MN
G
T
E
G
PNF
Y
V
P
F
S
N
K
T
G
V
V
RSPFEA
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
DYYT
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
-
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
-------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
75.12
20%
-144
- C3 -
3C9L
13
OPSD_BOVIN
A:
[49-321]
----------------------------------------------------------------
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
VH
F
I
----
I
P
L
I
V
I
F
F
C
Y
---
G
Q
L
V
F
T
V
K
----
E
---------------------------------------------
A
AAQQ
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
D
D
E
----------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
73.91
26%
-155
- C3 -
4RWD
6
C562_ECOLX (first)
A:
[123-352]
-----------------------------------------------------
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
---------------------------------------------------------------------------------------------------------------------------------------------------
29
HHSearch
73.87
16%
-147
- C3 -
2KS9
1
NK1R_HUMAN
A:
[34-326]
------------------------------------------------------
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
---
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
N
P
-
D
---------
L
Y
-------
L
KKF
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
-----------------------------------------------------------------------------------------------------------------------
39
Fugue
73.52
19%
-107
- C3 -
1U19
15
OPSD_BOVIN
A:
[4-349]
---------
M
N
G
T
E
G
P
N
F
Y
V
------
P
F
S
N
K
T
GVVRSPFEAPQYYLAE
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
VHF
I
I
P
L
I
V
I
F
F
C
Y
---
G
Q
L
V
F
T
V
K
EAAA
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
-------------------------------------------------------------------------------------------------------------------------
32
HHSearch
73.18
17%
-139
- C3 -
2Z73
5
OPSD_TODPA
A:
[33-333]
---------------------------------------------------
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
A
-
E
T
E
I
P
A
G
E
-------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
72.80
26%
-163
- C3 -
4N6H
21
C562_ECOLX (first)
A:
[126-355]
-----------------------------------------------------
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
----------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
72.33
20%
-152
- C3 -
3CAP
5
OPSD_BOVIN
A:
[49-321]
----------------------------------------------------------------
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
VH
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
-------------------------------------------------------------------------------------------------------------------------------------------------