@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 : AGTR1_HUMAN: (2016-01-09 )
MILNSSTEDGIKRIQDDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLLAGLASLPAIIHRNVFFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFLFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFKIIMAIVLFFFFSWIPHQIFTFLDVLIQLGIIRDCRIADIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKRYFLQLLKYIPPKAKSHSNLSTKMSTLSYRPSDNVSSSTKKPAPCFEVE
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.......---------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MILNSS
T
E
D
G
I
K
R
I
Q
D
DCPKAGRH
N
Y
I
F
-
V
M
I
P
T
L
Y
S
I
I
F
V
V
G
IFGNS
L
V
V
I
V
I
Y
F
Y
M
K
L
K
T
V
A
S
V
F
L
L
N
L
A
L
A
D
L
C
F
L
L
T
--
L
P
L
W
A
V
Y
T
A
M
E
Y
RW
P
F
G
N
Y
L
C
K
IASAS
V
S
F
N
L
Y
A
S
V
F
L
L
T
C
L
S
I
D
R
Y
L
A
I
V
H
P
M
K
S
R
L
R
---
R
T
M
L
V
A
K
V
T
C
I
I
I
W
L
L
A
G
L
A
S
L
P
A
I
I
-----H-R
N
V
F
F
I
E-NT
N
I
T
V
C
A
-
F
H
YESQNS-
T
L
P
I
GL
G
L
T
K
N
I
L
G
F
L
F
P
F
L
I
I
L
T
S
Y
T
L
I
W
K
A
L
------------------------------------------------
K
---
K
A
-------------------------------
Y
----------------------------------------------
E
I----------------------------------------Q---------------------------------------------------------------------------------------------------------------------------------------------------------------KNKPRN
D
D
---
I
F
K
I
I
---
M
A
I
------------
V
L
F
F
F
F
S
---
W
I
P
H
Q
I
F
T
F
L
------
D
V
L
I
Q-LGI--IRD--CR
I
A
D
I
V
DTAM
P
I
T
I
C
I
A
--
Y
F
N
N
C
L
N
P
L
F
Y
G
F
L
G
K
K
F
K
R
Y
F
L
-
Q
L
L
K
YIPPKAKSHSNLST
K
M
S
T
L
SYRPSDNVSSSTKKPAPCFEVE---------------------------------------------------------------------------------
31
HHSearch
90.80
34%
-159
- C1 -
3ODU
6
CXCR4_HUMAN (first)
A:
[37-498]
----------------
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
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
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
----------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
84.02
32%
-169
- C1 -
4N6H
23
C562_ECOLX (first)
A:
[126-410]
-----------------------------
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
----------------------------------------------------------------------------------------------------------------------
22
PsiBlast_CBE
82.98
32%
-166
- C1 -
4RWD
6
C562_ECOLX (first)
B:
[123-405]
-----------------------------
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
RMV
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
----------------------------------------------------------------------------------------------------------------------------
48
Fugue
82.95
29%
-162
- 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
PEDGDPDNGVNPGTDFKDIVCPLCGVGKDQ
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
QT
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
---------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
82.88
32%
-167
- C1 -
4RWD
7
C562_ECOLX (first)
A:
[123-406]
-----------------------------
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
---------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
82.21
32%
-164
- C1 -
4RWA
2
C562_ECOLX (first)
A:
[123-406]
-----------------------------
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
---------------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
81.84
32%
-165
- C1 -
4RWA
1
C562_ECOLX (first)
B:
[123-403]
-----------------------------
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
-------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
80.13
24%
-148
- C1 -
4XNW
2
RUBR_CLOPA
A:
[45-382]
----------------------
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
TVCG
Y
I
Y
N
PEDGDPDNGVNPGTDFKDIPDDWVCPLCGVG
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
AM
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
---------------------------------------------------------------------------------------------------------------------------------
34
HHSearch
80.10
25%
-154
- 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
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
-------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
79.30
24%
-155
- C1 -
4XNV
15
P2RY1_HUMAN (first)
A:
[45-382]
----------------------
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
PEDGDPDNGVNPGTDFKDIVCPLCGVG----
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
AM
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
---------------------------------------------------------------------------------------------------------------------------------
30
HHSearch
78.81
27%
-162
- 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
G
V
R
T
V
E
D
G
E
C
Y
-
I
Q
F
F
S
------
N
A
A
V
T
F
G
T
A
I
A
A
F
Y
L
P
V
I
I
M
T
V
L
Y
W
H
I
S
R
A
S
------------------------------------------------
K
---
S
R
-------------------------------
I
----------------------------------------------
N
I
----------------------------------------
F
E
M
L
R
I
D
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
--------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
78.18
27%
-152
- C1 -
4MBS
8
CCR5_HUMAN (first)
A:
[21-362]
----------------
P
C
Q
K
I
N
V
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
PEDGDPDNGVNPGTDFKDIPDDWVCPLCGVGKDQ
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
F
Q
E
-
F
F
G
--
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
--------------------------------------------------------------------------------------------------------------------------
51
Fugue
78.00
26%
-127
- 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
TEG
Y
Y
T
I
GIG
H
----------------------------------------------
L
L
----------------------------------------
T
---------------------------------------------------------------------------------------------------------------------------------------------------------------
K
S
P
S
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
NAKLK
P
V
Y
D
S
-
L
D
A
--
V
R
R
--
A
A
L
I
N
M
V
F
Q
M
G
--
E
T
G
V
A
--
G
F
T
N
S
L
R
M
L
Q
Q
K
R
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
T
G
T
W
D
A
Y
G
S
K
G
H
Q
K
R
K
A
L
K
T
T
V
I
L
I
L
A
F
F
A
C
W
L
P
Y
Y
I
G
I
S
I
D
S
F
I
L
L
EI
I
K
Q
G
C
E
F
E
N
T
V
H
K
W
I
S
I
T
E
A
L
A
F
FHCC
L
N
P
I
L
Y
AFLGAKFKTS
A
Q
H
A
L
TSGRPLEVLFQ
21
PsiBlast_CBE
77.77
31%
-162
- C1 -
4EA3
3
C562_ECOLX (first)
B:
[126-404]
-----------------------------
V
T
I
V
G
L
Y
L
A
V
C
V
G
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
P
Q
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
----------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
77.50
31%
-162
- C1 -
4EA3
3
C562_ECOLX (first)
A:
[126-404]
-----------------------------
V
T
I
V
G
L
Y
L
A
V
C
V
G
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
P
Q
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
77.38
32%
-162
- C1 -
5C1M
7
?
A:
[7-296]
------------------
P
Q
T
G
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
--------------------------------------------------------------------------------------------------------------------------------
33
HHSearch
76.79
25%
-153
- 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
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
-------------------------------------------------------------------------------------------------------------------------
40
HHSearch
75.72
22%
-156
* 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
-------------------------------------------------------------------------------------------------------------------------
41
HHSearch
75.26
25%
-154
- C1 -
2Z73
5
OPSD_TODPA
A:
[32-333]
-------------------------
A
V
Y
-
Y
S
L
G
I
F
I
G
I
C
G
I
I
G
C
G
G
N
G
I
V
I
Y
L
F
T
K
T
K
S
L
Q
T
P
A
N
M
F
I
I
N
L
A
F
S
D
F
T
F
S
L
V
N
G
F
P
L
M
T
I
-
S
C
F
L
K
K
W
I
F
G
F
A
A
C
K
V
Y
G
F
I
G
G
I
F
G
F
M
S
I
M
T
M
A
M
I
S
I
D
R
Y
N
V
I
G
R
P
M
A
A
S
K
K
---
M
S
H
R
R
A
F
I
M
I
I
F
V
W
L
W
S
V
L
W
A
I
G
P
I
F
-----
G
-
W
G
A
Y
T
L
--
E
G
V
L
C
N
C
S
-
F
D
Y
I
S
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
-----------------------------------------------------------------------------------------------
35
HHSearch
73.88
23%
-159
- C1 -
2KS9
1
NK1R_HUMAN
A:
[33-326]
-----------------------------
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
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
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
T
V
V
---------------------------------------------------------------------------------