@TOME V2.3
(Nov 2016)
Ref.
-
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Doc.
Global output mode :
Sort entries by :
Atome Result
Tools Result
PDB occurence
Core Structure Cluster
Sequence Color type :
Secondary Structure
Hydrophobicity
Disulfide Bonds
TCoffee Identity Score
Uniprot annotation
Core Structure Cluster
Contacts with Ligands
Show alignment :
Atome selection
All alignments
Only Template with Ligand
Column output:
Score:
Atome Rank Value
Tools Score
Hide column
Alignment:
Sequence Identity (%)
Tcoffee Alignment Score
Hide column
3D Common Core:
Tito PKB Score
Verify3D Score
QMean Score
Hide column
Structural Clustering:
Cluster Num
3D-Jury Struct. Score
Hide column
Modeller Result :
Model Rank
QMean Score
Dfire Score
Dope Score
Errat Score
Verify3D Score
Modeller Score
Hide column
Complexes Modeling
Show Ligands of Templates
Complexes Affinity Score
Main Binding Site Identity
Hide column
Templates Information:
Uniprot entry
Cath class
Scop class
Smart class
Prosite class
Pfam class
EC Number
Taxonomy
Experiment Method
Hide column
Sequence & Result Tab:
PDB Template Sequence
Complexes Tab
Values color: [
Good
|
Correct
|
Middling
|
Bad
]
Sequence color :
Mutated
Helix
Strand
Conserved
Query sequence : SSR3_HUMAN: (2016-01-14 )
MDMLHPSSVSTTSEPENASSAWPPDATLGNVSAGPSPAGLAVSGVLIPLVYLVVCVVGLLGNSLVIYVVLRHTASPSVTNVYILNLALADELFMLGLPFLAAQNALSYWPFGSLMCRLVMAVDGINQFTSIFCLTVMSVDRYLAVVHPTRSARWRTAPVARTVSAAVWVASAVVVLPVVVFSGVPRGMSTCHMQWPEPAAAWRAGFIIYTAALGFFGPLLVICLCYLLIVVKVRSAGRRVWAPSCQRRRRSERRVTRMVVAVVALFVLCWMPFYVLNIVNVVCPLPEEPAFFGLYFLVVALPYANSCANPILYGFLSYRFKQGFRRVLLRPSRRVRSQEPTVGPPEKTEEEDEEEEDGEESREGGKGKEMNGRVSQITQPGTSGQERPPSRVASKEQQLLPQEASTGEKSSTMRISYL
Atome Classification :
(20 SA)
........--.10........20..-......30........40........50........60........70........80........90....-....100..-.-..-.-.110.......120.......130.......140.......150..---.....160.......170.......180-.-.-.-.-----.-..-.-190.-..-.-.---..200.......---210.......220....---...230.......240--------------------------.-..---------------------------------------------------------------------------------------------------------------------------------------------------------.---------------------------------------------------------------------------------------------------------------------------------------------------------.-------------------------------------.---------...250-----------------------------------------.......260.......270.......280...--------.-------...290---...------------.....300......--.310.......320.......330.......340.......350.......360.......370.......380.......390.......400.......410......
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MDMLHPSS--VSTTSEPENASSAWP-PDATLGNVSAGPSPA
G
L
A
V
S
G
V
L
I
P
L
V
Y
L
V
V
C
V
V
G
L
LGN
S
L
V
I
Y
V
V
L
RHTASPS
V
T
N
V
Y
I
L
N
L
A
L
A
D
E
L
F
M
L-G
L
P
F
L
A
A
QN-A-LS-Y-WP
F
G
S
L
M
C
R
L
V
M
A
VD
G
I
N
Q
F
T
S
I
F
C
L
T
V
M
S
VD
R
Y
L
A
V
VHPTRSARW---RTA
P
V
A
R
T
V
S
A
A
V
W
V
A
S
A
V
V
V
L
P
V
V
V
F--S-G-V-P-----R-G
M
-
S
-
T
CHM-QW-P-E---P
A
A
A
WRA
G
F
I
I
Y
---
T
A
A
L
G
F
F
G
P
L
L
V
I
C
L
C
Y
---
L
L
I
V
V
K
V
R
SAGRRV----------------------------W-A
P
---------------------------------------------------------------------------------------------------------------------------------------------------------
S
---------------------------------------------------------------------------------------------------------------------------------------------------------
C
-------------------------------------
Q
---------
R
R
R
R
S
E
-----------------------------------------
R
R
V
T
R
M
V
V
A
V
V
A
L
F
V
L
C
W
M
P
F
Y
V
L
N
I
V
N
V
VCPL--------P-------EE
P
A
F
----
F
G
L
------------
Y
F
L
V
V
AL
P
Y
A
NSC
A
--
N
P
I
L
Y
G
F
L
S
Y
R
F
K
Q
G
F
R
R
V
LLR
P
S
R
RVRSQEPTVGPPEKTEEEDEEEEDGEESREGGKGKEMNGR
V
S
Q
ITQPGTSGQER
P
P
S
R
V
A
S
K
E
Q
Q
LLPQEASTGEKSS
T
M
R
I
SYL
4
PsiBlast_PDB
92.49
40%
-164
- C2 -
4RWA
2
C562_ECOLX (first)
A:
[115-406]
--------------------------------------
S
A
S
S
L
A
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
------------------------------------------------------------------------------------------
3
PsiBlast_PDB
90.79
39%
-153
- C2 -
4N6H
23
C562_ECOLX (first)
A:
[113-412]
----------------------------------
S
P
G
A
R
S
A
S
S
L
A
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
-------------------------------------------------------------------------------------
23
PsiBlast_CBE
90.68
40%
-163
- C2 -
4RWA
1
C562_ECOLX (first)
B:
[115-403]
--------------------------------------
S
A
S
S
L
A
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
---------------------------------------------------------------------------------------------
22
PsiBlast_CBE
90.31
40%
-157
- C2 -
4RWD
6
C562_ECOLX (first)
B:
[115-405]
--------------------------------------
S
A
S
S
L
A
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
-------------------------------------------------------------------------------------------
1
PsiBlast_PDB
90.17
43%
-157
- C2 -
4EA3
3
C562_ECOLX (first)
A:
[121-405]
---------------------------------------
P
L
G
L
K
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
---------------------------------------------------------------------------------------------
5
PsiBlast_PDB
89.97
40%
-157
- C2 -
4RWD
7
C562_ECOLX (first)
A:
[115-406]
--------------------------------------
S
A
S
S
L
A
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
------------------------------------------------------------------------------------------
21
PsiBlast_CBE
89.04
43%
-159
- C2 -
4EA3
3
C562_ECOLX (first)
B:
[121-406]
---------------------------------------
P
L
G
L
K
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
GS
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
-------------------------------------------------------------------------------------------
28
HHSearch
88.35
29%
-147
- C2 -
3ODU
6
CXCR4_HUMAN (first)
A:
[45-497]
-------------------------------------------
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
TGTWD
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
-------------------------------------------------------------------------------
2
PsiBlast_PDB
85.96
38%
-160
- C2 -
5C1M
7
?
A:
[15-296]
--------------------------------------------
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
----------------------------------------------------------------------------------------------
29
HHSearch
85.61
26%
-146
- C2 -
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
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
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
TGTW--
D
---------------------------------------------------------------------------------------------------------------------------------------------------------
A
-------------------------------------
Y
---------
P
P
P
S
R
E
-----------------------------------------
K
K
V
T
R
T
I
L
A
I
L
L
A
F
I
I
T
W
A
P
Y
N
V
M
V
L
I
N
T
F
C
A
P
--------
C
----------
I
P
----
N
T
V
------------
W
T
I
G
Y
W
L
C
Y
I
N
S
T
I
--
N
P
A
C
Y
A
L
C
N
A
T
F
K
K
T
F
K
H
L
L
M
-----------------------------------------------------------------------------------------
48
Fugue
84.85
29%
-149
- C2 -
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
T
---------------------------------------------------------------------------------------------------------------------------------------------------------
V
---------------------------------------------------------------------------------------------------------------------------------------------------------
C
G
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
DFQTPAM
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
-----------------------------------------------------------------------------------------------
35
HHSearch
83.80
24%
-139
- C2 -
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
-----------------------------------------------------------------------------------
30
HHSearch
83.24
25%
-137
- C2 -
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
TH---
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
TGTWD--
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
----------------------------------------------------------------------------------------
31
HHSearch
82.46
26%
-141
- C2 -
3RZE
5
ENLYS_BPT4 (first)
A:
[11-443]
-------------------------------------------------
L
V
V
V
L
S
T
I
C
L
V
T
V
G
L
N
L
L
V
L
Y
A
V
R
S
E
R
K
L
H
T
V
G
N
L
Y
I
V
S
L
S
V
A
D
L
I
V
G
A
V
V
M
P
M
N
I
L
Y
L
-
L
-
M
S
-
K
-
W
S
L
G
R
P
L
C
L
F
W
L
S
M
D
Y
V
A
S
T
A
S
I
F
S
V
F
I
L
C
I
D
R
Y
R
S
V
Q
Q
P
L
R
Y
L
K
Y
---
R
T
K
T
R
A
S
A
T
I
L
G
A
W
F
L
S
F
L
W
V
I
P
I
L
G
W
--
N
-
H
----------R
R
E
-
D
-
K
C
E
T
-
D
F
-
Y
-
D
---
V
-----
T
W
F
K
V
M
---
T
A
I
I
N
F
Y
L
P
T
L
L
M
L
W
F
Y
---
A
K
I
Y
K
A
V
R
Q
H
C
N
I
F
----------------------------
E
-
M
L
---------------------------------------------------------------------------------------------------------------------------------------------------------
R
I
D
E
G
L
R
L
K
I
Y
K
D
TEG
Y
Y
T
I
G
IGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKL
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWD--
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
----------------------------------------------------------------------------------------
37
HHSearch
81.87
27%
-143
- C2 -
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
GTWD
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
----------------------------------------------------------------------------------------
14
PsiBlast_PDB
81.54
25%
-151
- C2 -
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
T
---------------------------------------------------------------------------------------------------------------------------------------------------------
V
---------------------------------------------------------------------------------------------------------------------------------------------------------
C
-------------------------------------
G
---------
Y
I
Y
N
P
E
DGDPDNGVNPGTDFKDIPDDWVCPLCGVGKDQ
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
DFQT----
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
81.09
26%
-152
- C2 -
4MBS
8
CCR5_HUMAN (first)
A:
[30-359]
--------------------------------------------
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
T
V
CG
Y
I
Y
N
PEDGDPDNGVNPGTDFKDIPDD
W
V
C
P
---------------------------------------------------------------------------------------------------------------------------------------------------------
L
---------------------------------------------------------------------------------------------------------------------------------------------------------
C
-------------------------------------
G
VGKDQ
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
NN
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
-----------------------------------------------------------------------------------------
13
PsiBlast_PDB
80.81
25%
-154
- C2 -
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
T
---------------------------------------------------------------------------------------------------------------------------------------------------------
V
---------------------------------------------------------------------------------------------------------------------------------------------------------
C
-------------------------------------
G
---------
Y
I
Y
N
P
E
DGDPDNGVNPGTDFKDIVCPLCGVGKDQ
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
DFQT----
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
-----------------------------------------------------------------------------------------------
49
Fugue
80.44
21%
-117
- C2 -
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
G
W
--
S
R
Y
-
I
-
P
-----
E
-
G
M
Q
C
-
S
C
G
I
D
Y
Y
-
T
-
P
---
H
E
E
T
N
N
E
S
F
V
I
Y
---
M
F
V
V
H
F
I
I
P
L
I
V
I
F
F
C
Y
---
G
Q
L
V
F
T
V
K
E
A
A
A
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
----------------------------
50
Fugue
79.69
23%
-101
- C2 -
1U19
15
OPSD_BOVIN
A:
[4-349]
M
N
G
T
E
G
P
N
FY
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
G
W
--
S
-
R
Y
I
-
P
-----
E
-
G
M
-
Q
C
S
C
G
I
-
D
Y
Y
T
-
P
---
H
E
E
T
N
N
E
S
F
V
I
Y
---
M
F
V
V
H
F
I
I
P
L
I
V
I
F
F
C
Y
---
G
Q
L
V
F
T
V
K
E
A
A
A
Q
-------------------------------
Q
Q
---------------------------------------------------------------------------------------------------------------------------------------------------------
E
---------------------------------------------------------------------------------------------------------------------------------------------------------
S
-------------------------------------
A
---------
T
T
Q
K
A
E
-----------------------------------------
K
E
V
T
R
M
V
I
I
M
V
I
A
F
L
I
C
W
L
P
Y
A
G
V
A
F
Y
I
F
T
-------------------
H
Q
G
S
D
----
F
G
P
------------
I
F
M
T
I
P
A
F
F
A
K
T
S
A
V
Y
N
P
V
I
Y
I
M
M
N
K
Q
F
R
N
C
M
V
T
T
L
C
C
G
K
N
P
L
G
D
D
E
A
S
T
T
V
S
K
T
-------------------------------------------------------
E
T
S
Q
V
A
P
A
--------