@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 : KISSR_HUMAN: (2016-01-10 )
MHTVATSGPNASWGAPANASGCPGCGANASDGPVPSPRAVDAWLVPLFFAALMLLGLVGNSLVIYVICRHKPMRTVTNFYIANLAATDVTFLLCCVPFTALLYPLPGWVLGDFMCKFVNYIQQVSVQATCATLTAMSVDRWYVTVFPLRALHRRTPRLALAVSLSIWVGSAAVSAPVLALHRLSPGPRAYCSEAFPSRALERAFALYNLLALYLLPLLATCACYAAMLRHLGRVAVRPAPADSALQGQVLAERAGAVRAKVSRLVAAVVLLFAACWGPIQLFLVLQALGPAGSWHPRSYAAYALKTWAHCMSYSNSALNPLLYAFLGSHFRQAFRRVCPCAPRRPRRPRRPGPSDPAAPHAELLRLGSHPAPARAQKPGSSGLAARGLCVLGEDNAPL
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......---------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MHTVATSGPNASWGAPANASGCPGCGANASDGPVPS
P
R
A
V
D
A
W
L
V
P
L
-
F
F
A
A
L
M
L
L
G
LV-GN
S
L
V
I
Y
V
I
CRHKP
M
R
T
V
T
N
F
Y
I
ANLAA
T
D
V
T
F
L
L
C
C
V
P
F
T
A
L
LYP-L
P
G
W
V
L
G
D
F
M
C
K
F
V
N
Y
I
Q
Q
V
S
V
Q
A
T
C
A
T
L
T
A
M
S
V
D
R
W
Y
V
T
V
F
P
L
R
A
L
HR---RTP
R
L
A
L
A
V
S
L
S
I
W
VG
S
A
A
V
S
A
P
V
--
L
A
-
L
--H--R-L----S-P----G-
P
R
A
-
Y
C
S
EA
F
--
P
-----
S
--
R
A
--
L
E
--
R
A
F
A
L
Y
N
L
---
L
A
L
Y
L
-
L
P
L
L
A
T
C
A
C
Y
A
A
M
L
R
H
L
-----------------------------
G
R
V----------------A---------------------------VRPAPAD------
S
A
------------
L
-----------------------------------------------------------------------------------------------------------------------------------
Q
-------------------------------------------------------------------------------------------------------------------------------------------------
G
--------------------------------------------------------------------------------
Q
-------------
V
--------------
L
A
E
R
A
G
A
V
R
A
K
V
S
R
L
V
-------
A
A
V
V
L
L
F
A
A
C
W
----
G
P
I
Q
L
F
L
V
------
L
Q
A
------LGPAG---SWHP
R
S
Y
A
----
A
Y
A
--
L
K
T
W
A
H
C
M
S--YSNS
A
L
N
P
L
L
Y
A
F
---
L
G
S
H
F
R
Q
A
F
-----
R
R
VC-----PCAPRRPRRPRRPGPSDPAA
P
H
A
E
L
L
R
LGSHPAPARAQKPGSSGLAAR
G
L
C
V
LGEDNAPL---------------------------------------------------------------------------
36
HHSearch
92.23
25%
-140
- 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
T
EG
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
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
-------------------------------------------------------------------------------------------------------------------------------------
35
HHSearch
85.74
23%
-126
- C1 -
3EML
13
ENLYS_BPT4
A:
[21-472]
-----------------------------------------
S
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
ACLFE
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
TG------------------------------------------------------------------------------------------------------------------------------------
T
--------------------------------------------------------------------------------
W
-------------
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
--------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
85.73
23%
-141
- C1 -
4MBS
8
CCR5_HUMAN (first)
A:
[28-366]
-------------------------------------
K
Q
I
A
A
R
L
L
P
P
-
L
Y
S
L
V
F
I
F
G
F
V
-
G
N
M
L
V
I
L
I
L
I
N
Y
K
R
L
K
S
M
T
D
I
Y
L
L
N
L
A
I
S
D
L
F
F
L
L
-
T
V
P
F
W
A
-
H
Y
A
-
A
A
Q
W
D
F
G
N
T
M
C
Q
L
L
T
G
L
Y
F
I
G
F
F
S
G
I
F
F
I
I
L
L
T
I
D
R
Y
L
A
V
V
H
A
V
F
A
L
K
A
---
R
T
V
T
F
G
V
V
T
S
V
I
T
W
V
V
A
V
F
A
S
L
P
N
--
I
I
-
F
--
T
--
R
S
Q
----
K
-
E
----
G
-
L
H
Y
-
T
C
S
S
H
F
--
P
-----
Y
--
S
Q
--
Y
Q
F
W
K
N
F
Q
T
L
K
I
---
V
I
L
G
L
V
L
P
L
L
V
M
V
I
C
Y
S
G
I
L
K
T
L
-----------------------------
L
R
M
----------------
K
K
Y
T
C
TVCG
Y
I
Y
N
PEDGDPDNGVNPGTD
F
K
D
I
P
D
D
WVCPLC
G
V
------------
G
-----------------------------------------------------------------------------------------------------------------------------------
K
-------------------------------------------------------------------------------------------------------------------------------------------------
D
--------------------------------------------------------------------------------
Q
-------------
F
--------------
E
E
V
E
E
E
K
K
R
H
R
D
V
R
L
I
-------
F
T
I
M
I
V
Y
F
L
F
W
----
A
P
Y
N
I
V
L
L
------
L
N
T
FQEFFG
L
N
N
C
S
---
S
S
N
R
L
D
Q
A
----
M
Q
V
--
T
E
T
----
L
G
--
M
T
H
C
C
I
N
P
I
I
Y
A
F
---
V
G
E
E
F
R
N
Y
L
L
V
F
F
Q------------------------------------------------------------------------------------------------------------------------------------------------
30
HHSearch
85.59
22%
-129
- C1 -
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
CC---
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
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
-------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
85.36
32%
-145
- C1 -
5C1M
7
?
A:
[11-296]
-----------------------------------
S
P
S
M
V
T
A
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
---------------------------
M
--------------------------
L
-----------------------------------------------------------------------------------------------------------------------------------
S
-------------------------------------------------------------------------------------------------------------------------------------------------
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
-----------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
85.34
32%
-153
- C1 -
4RWA
2
C562_ECOLX (first)
A:
[125-406]
--------------------------------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------
27
HHSearch
85.28
22%
-135
- C1 -
3UON
4
ACM2_HUMAN (first)
A:
[23-457]
-----------------------------------------
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
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
GVRT
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
GLRL
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
TGT
W
--------------
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
PsiBlast_CBE
84.54
32%
-149
- C1 -
4RWD
5
C562_ECOLX (first)
B:
[125-405]
--------------------------------------------
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
WY
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
---------------------------------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
84.47
32%
-151
- C1 -
4RWA
1
C562_ECOLX (first)
B:
[125-403]
--------------------------------------------
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
--------------------------------------------------------------------------------
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
-----------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
84.17
32%
-149
- C1 -
4RWD
6
C562_ECOLX (first)
A:
[125-406]
--------------------------------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
83.95
36%
-138
- C1 -
4EA3
3
OPRX_HUMAN
B:
[139-407]
--------------------------------------------------------
G
L
L
-
G
N
C
L
V
M
Y
V
I
L
R
H
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
-
T
L
V
L
L
T
L
P
F
Q
G
T
D
I
L
-
L
G
F
W
P
F
G
N
A
L
C
K
T
V
I
A
I
D
Y
Y
N
M
F
T
S
T
F
T
L
T
A
M
S
V
D
R
Y
V
A
I
C
H
P
I
R
A
L
D
V
---
R
T
S
S
K
A
Q
A
V
N
V
A
I
W
A
L
A
S
V
V
G
V
P
V
--
A
I
-
M
--
G
--
S
-
A
--------------
E
I
-
E
C
L
V
E
I
--
P
-----
T
PQ
D
Y
--
W
G
--
P
V
F
A
I
C
I
F
---
L
F
S
F
I
-
V
P
V
L
V
I
S
V
C
Y
S
L
M
I
R
R
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
K
D
R
N
L
R
-
R
I
T
R
L
V
-------
L
V
V
V
A
V
F
V
G
C
W
----
T
P
V
Q
V
F
V
L
------
A
Q
G
------
L
G
V
-------
Q
P
S
S
E
T
----
A
V
A
--
I
L
R
F
C
T
A
L
G
--
Y
V
N
S
C
L
N
P
I
L
Y
A
F
---
L
D
E
N
F
K
A
C
F
-----
R
K
F
---------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
83.45
36%
-141
- C1 -
4EA3
3
C562_ECOLX (first)
A:
[139-405]
--------------------------------------------------------
G
L
L
-
G
N
C
L
V
M
Y
V
I
L
R
H
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
-
T
L
V
L
L
T
L
P
F
Q
G
T
D
I
L
-
L
G
F
W
P
F
G
N
A
L
C
K
T
V
I
A
I
D
Y
Y
N
M
F
T
S
T
F
T
L
T
A
M
S
V
D
R
Y
V
A
I
C
H
P
----------
T
S
S
K
A
Q
A
V
N
V
A
I
W
A
L
A
S
V
V
G
V
P
V
--
A
I
-
M
--
G
--
S
-
A
----
Q
V
E
----
D
-
E
E
I
-
E
C
L
V
E
I
--
P
-----
T
PQ
D
Y
--
W
G
--
P
V
F
A
I
C
I
F
---
L
F
S
F
I
-
V
P
V
L
V
I
S
V
C
Y
S
L
M
I
R
R
L
-----------------------------
R
G
V
----------------
R
---------------------------
L
--------------------------
L
-----------------------------------------------------------------------------------------------------------------------------------
S
-------------------------------------------------------------------------------------------------------------------------------------------------
G
--------------------------------------------------------------------------------
S
-----------------------------
R
E
K
D
R
N
L
R
-
R
I
T
R
L
V
-------
L
V
V
V
A
V
F
V
G
C
W
----
T
P
V
Q
V
F
V
L
------
A
Q
G
------
L
G
V
-------
Q
P
S
S
E
T
----
A
V
A
--
I
L
R
F
C
T
A
L
G
--
Y
V
N
S
C
L
N
P
I
L
Y
A
F
---
L
D
E
N
F
K
A
C
F
-----
R
-----------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
82.97
32%
-151
- C1 -
4N6H
22
OPRD_HUMAN
A:
[131-413]
------------------------------------------------
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
------------------------------------------------------------------------------------------------------------------------------------
25
HHSearch
81.80
21%
-126
- C1 -
3ODU
6
CXCR4_HUMAN (first)
A:
[41-498]
----------------------------------
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
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
TG
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
----------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
81.68
21%
-136
- C1 -
4XNW
2
RUBR_CLOPA
A:
[37-382]
----------------------------
S
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
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
TVC-----------------
G
Y
I
Y
N
PEDGDPDNGVNPGT
D
---------------------------
F
K
D
I
P
D
D
WVCPL-
C
G
------------
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
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
------------------------------------------------------------------------------------------------------------------------------------------------------
50
Fugue
81.35
22%
-135
- 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
PEDGDPDNGVNP
G
T
D
----------------
F
---------------------------
K
D
I
V
C
P
L
------
C
G
------------
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
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
------------------------------------------------------------------------------------------------------------------------------------------------------
29
HHSearch
81.08
22%
-136
- 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
TGTW
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
-------------------------------------------------------------------------------------------------------------------------------------
52
Fugue
80.27
19%
-101
- 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
GSN-------------
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
TKSPS
L
N
A
A
K
S
E
L
D
K
A
I
G
RNTN
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
KL
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
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
10
PsiBlast_PDB
79.61
21%
-140
- 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
TVC-----------------
G
Y
I
Y
N
PEDGDPDNGVNPGT
D
---------------------------
F
K
D
I
---VCPL--
C
G
------------
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
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
------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
78.85
25%
-137
- C1 -
4GBR
1
ADRB2_HUMAN
A:
[2-286]
----------------------------------------
E
V
W
V
V
G
M
G
I
V
M
S
L
I
V
L
A
I
V
F
G
N
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----------------------------------------------------------------------------------
A
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-----------------------------------------------------------------------------------------------------------------------------------
Q
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K
--------------------------------------------------------------------------------------------------------------
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------------------------------------------------------------------------------------------------------------------------------------