@TOME V2.3
(Nov 2016)
Ref.
-
-
Doc.
Global output mode :
Sort entries by :
Atome Result
Tools Result
PDB occurence
Core Structure Cluster
Sequence Color type :
Secondary Structure
Hydrophobicity
Disulfide Bonds
TCoffee Identity Score
Uniprot annotation
Core Structure Cluster
Contacts with Ligands
Show alignment :
Atome selection
All alignments
Only Template with Ligand
Column output:
Score:
Atome Rank Value
Tools Score
Hide column
Alignment:
Sequence Identity (%)
Tcoffee Alignment Score
Hide column
3D Common Core:
Tito PKB Score
Verify3D Score
QMean Score
Hide column
Structural Clustering:
Cluster Num
3D-Jury Struct. Score
Hide column
Modeller Result :
Model Rank
QMean Score
Dfire Score
Dope Score
Errat Score
Verify3D Score
Modeller Score
Hide column
Complexes Modeling
Show Ligands of Templates
Complexes Affinity Score
Main Binding Site Identity
Hide column
Templates Information:
Uniprot entry
Cath class
Scop class
Smart class
Prosite class
Pfam class
EC Number
Taxonomy
Experiment Method
Hide column
Sequence & Result Tab:
PDB Template Sequence
Complexes Tab
Values color: [
Good
|
Correct
|
Middling
|
Bad
]
Sequence color :
Mutated
Helix
Strand
Conserved
Query sequence : GPR34_HUMAN: (2016-01-10 )
MRSHTITMTTTSVSSWPYSSHRMRFITNHSDQPPQNFSATPNVTTCPMDEKLLSTVLTTSYSVIFIVGLVGNIIALYVFLGIHRKRNSIQIYLLNVAIADLLLIFCLPFRIMYHINQNKWTLGVILCKVVGTLFYMNMYISIILLGFISLDRYIKINRSIQQRKAITTKQSIYVCCIVWMLALGGFLTMIILTLKKGGHNSTMCFHYRDKHNAKGEAIFNFILVVMFWLIFLLIILSYIKIGKNLLRISKRRSKFPNSGKYATTARNSFIVLIIFTICFVPYHAFRFIYISSQLNVSSCYWKEIVHKTNEIMLVLSSFNSCLDPVMYFLMSSNIRKIMCQLLFRRFQGEPSRSESTSEFKPGYSLHDTSVAVKIQSSSKST
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-------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MR
S
H
T
I
T
M
T
TTSVSSWPYSS
H
R
M
R
F
ITNHSDQPPQNFSATPNVTTC--P
M
D
E
K
-
L
L
S
T
V
L
TTS
Y
S
V
I
F
I
V
G
L
V
G
N
I
I
A
L
Y
V
F
L
G
IHRKR
N
S
I
Q
I
Y
L
L
N
V
A
I
A
D
L
L
L
I
-
F
-
C
L
P
F
R
I
M
Y
H
INQN
K
W
T
L
G
V
I
L
C
K
V
V
G
T
L
F
Y
M
N
M
Y
I
S
I
I
L
L
G
F
I
S
L
D
R
Y
I
K
IN
R
S
I
Q
Q
R
KA---ITTK
Q
S
I
--
Y
V
C
C
I
V
W
M
L
A
L
G
-
G
F
L
T
M
I
I
---
L
T
-
L
K--KG---GH---NS
T
M
-
C
F
H
YRDK---HN-A
K
G
E
A
I
F
N
F
-
I
L
V
-
V
M
F
W
L
I
F
L
L
I
I
-
L
-
S
-
Y
I
K
I
G
K
N
L
L
R
----------------------------------------
I
S
K
R
------------
R
----SK------------------------------------------------------------------------------------------------------------------------------------------------------------F------------------------------------------------------------------------------------------------------------------------------------------------------------PNSG---
K
Y
A
T
T----------------ARN
S
F
----------------
I
V
L
I
I
-
F
T
I
C
F
V
P
Y
H
A
F
R
F
I
--
Y
I
SSQL---N------
V
--
S
S
---
C
Y
W
K
E
I
V
HKTN
E
I
M
L
V
L
S
S
F
N
S
C
L
D
P
V
M
Y
F
L
MSS
N
I
R
K
I
M
C
Q
L
L
F
R
R
FQGEPSRSESTSEFKPGYSLHD
T
S
V
A
V
K
IQSSSKST--------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
87.23
22%
-159
- C1 -
4XNW
2
RUBR_CLOPA
A:
[53-382]
-----------------------------------------------------------
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
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
P
E
----
D
G
------------------------------------------------------------------------------------------------------------------------------------------------------------
D
------------------------------------------------------------------------------------------------------------------------------------------------------------
P
D
N
G
---
V
N
P
G
T
DFKDIPDDWVCPLCGV
G
K
D
Q
F
E
E
V
EE
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
PAM
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
86.59
22%
-163
- C1 -
4XNV
15
P2RY1_HUMAN (first)
A:
[53-382]
-----------------------------------------------------------
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
P
E
----
D
G
------------------------------------------------------------------------------------------------------------------------------------------------------------
D
------------------------------------------------------------------------------------------------------------------------------------------------------------
P
D
N
G
---
V
N
P
G
T
DFKDIVCPLCGV----
G
K
D
Q
F
E
E
V
EE
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
PAM
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------
47
Fugue
85.54
23%
-152
- C1 -
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
PEDGDPDNGVNPGTDFKDIVCPLCG
V
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
DFQ
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------
26
HHSearch
84.04
24%
-144
- C1 -
3ODU
6
CXCR4_HUMAN (first)
A:
[43-498]
--------------------------------------------------
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
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
TGTWDAY
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
------------------------------------------------------------------------------------------------------------------------------------------------------
49
Fugue
81.43
17%
-117
- 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
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
GW
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
---------------------
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
--------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
80.27
22%
-160
- C1 -
4RWA
2
C562_ECOLX (first)
A:
[121-405]
-------------------------------------------------------
L
A
I
A
I
T
A
L
Y
S
A
V
C
A
V
G
L
L
G
N
V
L
V
M
F
G
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
T
-
S
-
T
L
P
F
Q
S
A
K
Y
L
M
E
T
-
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
A
K
A
K
--
L
I
N
I
C
I
W
V
L
A
S
G
-
V
G
V
P
I
M
V
---
M
A
-
V
T
--
R
P
---
R
D
---
G
A
V
V
-
C
M
L
Q
F
P
S
---
P
S
-
W
Y
W
D
T
V
T
K
I
C
V
F
L
-
F
A
F
V
V
P
I
L
I
I
T
-
V
-
C
-
Y
G
L
M
L
L
-----------------------------------------------------------------
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
79.59
22%
-152
- C1 -
4RWD
7
C562_ECOLX (first)
A:
[121-405]
-------------------------------------------------------
L
A
I
A
I
T
A
L
Y
S
A
V
C
A
V
G
L
L
G
N
V
L
V
M
F
G
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
T
-
S
-
T
L
P
F
Q
S
A
K
Y
L
M
E
T
-
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
A
K
A
K
--
L
I
N
I
C
I
W
V
L
A
S
G
-
V
G
V
P
I
M
V
---
M
A
-
V
T
--
R
P
---
R
D
---
G
A
V
V
-
C
M
L
Q
F
P
S
---
P
S
-
W
Y
W
D
T
V
T
K
I
C
V
F
L
-
F
A
F
V
V
P
I
L
I
I
T
-
V
-
C
-
Y
G
L
M
L
L
R
L
R
S
----------------------------------------
V
R
L
L
------------
S
----
G
S
------------------------------------------------------------------------------------------------------------------------------------------------------------
K
------------------------------------------------------------------------------------------------------------------------------------------------------------
E
K
D
R
---
S
L
R
R
I
----------------
T
R
M
V
L
----------------
V
V
V
G
A
-
F
V
V
C
W
A
P
I
H
I
F
V
I
V
--
W
T
L
V
D
I
---
D
------
R
--
R
D
-------
P
L
V
V
A
A
L
H
L
C
I
A
L
G
Y
A
N
S
S
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
R
C
F
R
Q
L
C
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
30
HHSearch
78.90
20%
-149
- C1 -
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
GVR
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
TGTWDA--
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------
37
HHSearch
78.51
20%
-157
- C1 -
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
GTWDAY
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
77.54
22%
-149
- C1 -
4N6H
23
C562_ECOLX (first)
A:
[124-408]
-------------------------------------------------------
L
A
I
A
I
T
A
L
Y
S
A
V
C
A
V
G
L
L
G
N
V
L
V
M
F
G
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
T
-
S
-
T
L
P
F
Q
S
A
K
Y
L
M
E
T
-
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
A
K
A
K
--
L
I
N
I
C
I
W
V
L
A
S
G
-
V
G
V
P
I
M
V
---
M
A
-
V
T
--
R
P
---
R
D
---
G
A
V
V
-
C
M
L
Q
F
P
S
---
P
S
-
W
Y
W
D
T
V
T
K
I
C
V
F
L
-
F
A
F
V
V
P
I
L
I
I
T
-
V
-
C
-
Y
G
L
M
L
L
R
L
R
S
----------------------------------------
V
R
L
L
------------
S
----
G
S
------------------------------------------------------------------------------------------------------------------------------------------------------------
K
------------------------------------------------------------------------------------------------------------------------------------------------------------
E
K
D
R
---
S
L
R
R
I
----------------
T
R
M
V
L
----------------
V
V
V
G
A
-
F
V
V
C
W
A
P
I
H
I
F
V
I
V
--
W
T
L
V
D
I
---
D
------
R
--
R
D
-------
P
L
V
V
A
A
L
H
L
C
I
A
L
G
Y
A
N
S
S
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
R
C
F
R
Q
L
C
R
K
P
C
G
------------------------------------------------------------------------------------------------------------------------------------------------------------
33
HHSearch
76.69
20%
-161
- C1 -
3RZE
5
ENLYS_BPT4 (first)
A:
[10-443]
----------------------------------------------------------
P
L
V
V
V
L
S
T
I
C
L
V
T
V
G
L
N
L
L
V
L
Y
A
V
R
S
E
R
K
L
H
T
V
G
N
L
Y
I
V
S
L
S
V
A
D
L
I
V
G
A
V
-
V
M
P
M
N
I
L
Y
L
L
-
M
S
K
W
S
L
G
R
P
L
C
L
F
W
L
S
M
D
Y
V
A
S
T
A
S
I
F
S
V
F
I
L
C
I
D
R
Y
R
S
V
Q
Q
P
L
R
Y
L
K
Y
---
R
T
K
T
R
A
S
--
A
T
I
L
G
A
W
F
L
S
F
L
-
W
V
I
P
I
L
G
---
W
N
-
H
---------
R
---
R
E
D
K
-
C
E
T
D
F
Y
D
---
V
------
T
W
F
K
V
-
M
T
A
-
I
I
N
F
Y
L
P
T
L
L
M
-
L
W
F
-
Y
A
K
I
Y
K
A
V
R
Q
----------------------------------------
H
C
N
I
------------
F
----
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
TEG
Y
Y
T
I
G
IGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKL
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDA--
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
76.44
27%
-159
- C1 -
5C1M
7
?
A:
[24-294]
---------------------------------------------------------------
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
MLSG
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
53
Fugue
75.15
21%
-123
- 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
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
RNTNGV
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
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
36
HHSearch
75.07
19%
-145
- C1 -
3EML
13
ENLYS_BPT4
A:
[22-472]
---------------------------------------------------------
S
V
Y
I
T
V
E
L
A
I
A
V
L
A
I
L
G
N
V
L
V
C
W
A
V
W
L
N
S
N
L
Q
N
V
T
N
Y
F
V
V
S
L
A
A
A
D
I
A
V
G
V
L
-
A
I
P
F
A
I
T
I
S
T
---
G
F
C
A
A
C
H
G
C
L
F
I
A
C
F
V
L
V
L
T
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
R
I
P
L
R
Y
N
G
L
---
V
T
G
T
R
A
K
--
G
I
I
A
I
C
W
V
L
S
F
A
-
I
G
L
T
P
M
L
---
G
W
-
N
N
--
C
G
Q--------
S
Q
G
-
C
G
E
G
Q
V
A
CLF
E
D
-
V
V
P
M
N
Y
M
V
Y
-
F
N
F
-
F
A
C
V
L
V
P
L
L
L
M
-
L
G
V
-
Y
L
R
I
F
L
A
A
R
R
----------------------------------------
Q
L
N
I
------------
F
----
E
M
L
R
I
D
E
GLRL
K
I
Y
K
D
TEGYYTIGIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTW
D
A
Y
-
R
------------------------------------------------------------------------------------------------------------------------------------------------------------
S
T
L
Q
---
K
E
V
H
A
----------------
A
K
S
L
A
----------------
I
I
V
G
L
-
F
A
L
C
W
L
P
L
H
I
I
N
C
F
--
T
F
F
C
P
D
---
C
-----------------
S
H
A
P
L
W
L
M
Y
L
A
I
V
L
S
H
T
N
S
V
V
N
P
F
I
Y
A
Y
R
I
R
E
F
R
Q
T
F
R
K
I
I
R
S
H
V
L
R
Q
----------------------------------------------------------------------------------------------------------------------------------------------------------
29
HHSearch
74.74
17%
-152
- C1 -
2RH1
16
ADRB2_HUMAN (first)
A:
[37-477]
----------------------------------------------------
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
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
TGTWDA--
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------
32
HHSearch
74.66
19%
-149
- C1 -
2KS9
1
NK1R_HUMAN
A:
[32-326]
--------------------------------------------------------
I
V
L
W
A
A
A
Y
T
V
I
V
V
T
S
V
V
G
N
V
V
V
M
W
I
I
L
A
H
K
R
M
R
T
V
T
N
Y
F
L
V
N
L
A
F
A
E
A
S
M
A
-
A
F
N
T
V
V
N
F
T
Y
A
-
V
H
N
E
W
Y
Y
G
L
F
Y
C
K
F
H
N
F
F
P
I
A
A
V
F
A
S
I
Y
S
M
T
A
V
A
F
D
R
Y
M
A
I
I
H
P
L
Q
P
R
L
-----
S
A
T
A
T
K
--
V
V
I
C
V
I
W
V
L
A
L
L
-
L
A
F
P
Q
G
Y
---
Y
S
-
T
T
--
E
T
---
M
P
---
S
R
V
V
-
C
M
I
E
W
P
E
---
H
P
N
K
I
Y
E
K
V
Y
H
I
-
C
V
T
-
V
L
I
Y
F
L
P
L
L
V
I
-
G
Y
A
-
Y
T
V
V
G
I
T
L
W
A
----------------------------------------
S
E
I
P
------------
G
----
D
S
SDRY--------------------------------------------------------------------------------------------------------------------------------------------------------
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
------
Y
---------
L
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
--------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
73.63
28%
-144
- C1 -
2LNL
-
CXCR1_HUMAN
A:
[35-313]
---------------------------------------------------
E
T
-
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
PNN
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
---
I
------
Q
--
E
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------
38
HHSearch
72.69
26%
-135
- C1 -
2LNL
-
CXCR1_HUMAN
A:
[38-322]
-------------------------------------------------------
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
--
I
Q
E
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
72.22
18%
-107
- 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
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
GW
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-------------------------------------------------------------------------------------------------------------------------
35
HHSearch
71.87
18%
-133
- C1 -
1U19
14
OPSD_BOVIN
A:
[36-327]
---------------------------------------------------
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
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--------------------------------------------------------------------------------------------------------------------------------------