@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 : GP183_HUMAN: (2016-01-10 )
MDIQMANNFTPPSATPQGNDCDLYAHHSTARIVMPLHYSLVFIIGLVGNLLALVVIVQNRKKINSTTLYSTNLVISDILFTTALPTRIAYYAMGFDWRIGDALCRITALVFYINTYAGVNFMTCLSIDRFIAVVHPLRYNKIKRIEHAKGVCIFVWILVFAQTLPLLINPMSKQEAERITCMEYPNFEETKSLPWILLGACFIGYVLPLIIILICYSQICCKLFRTAKQNPLTEKSGVNKKALNTIILIIVVFVLCFTPYHVAIIQHMIKKLRFSNFLECSQRHSFQISLHFTVCLMNFNCCMDPFIYFFACKGYKRKVMRMLKRQVSVSISSAVKSAPEENSREMTETQMMIHSKSSNGK
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-----------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
M
D
I
QMANNFTPPSATPQGN------DC
D
L
Y
AHHS
T
A
R
I
V
M
P
L
H
Y
S
L
V
F
I
I
G
L
V
G
N
L
L
A
L
V
V
I
VQNRKKINS
T
T
L
Y
STN
L
V
I
S
D
I
L
F
TT-A-LP
T
R
I
A
Y
Y
AMGFDW
R
I
G
D
A
L
C
R
I
T
A
L
V
F
Y
I
NTYAG
V
N
F
M
T
C
L
S
I
D
R
F
I
A
V
V
H
P
L
R
Y
N
K
I
---
K
R
I
EHAKG
V
C
I
--
F
V
W
I
L
V
F
A
Q
T
L
P
L
L
I-NPM
S
K
-
Q
---
E
A
E
R
I
T
C---M-E-YP
N
---
F
---
E
E
TKSL
P
W
I
L
L
G
A
C
-
F
I
-
G
-
Y
V
L
P
L
I
I
I
L
I
C
Y
S
Q
I
C
C
K
L
F
R
T
A--KQ---------------------NPL------------------------------------------------------------------------------------------------------------------------------------------------------------T---------------E----------------------------------------KS-----------GV
N
K
-------------
K
A
L
N
T
---
I
I
L
I
I
V
V
F
V
L
CFT
P
Y
H
V
A
I
I
Q
H
M
I
K
K
L
R
---------------
F
S
N
F
L
E
C
SQR
H
----------
S
F
Q
I
-
S
L
H
F
T
V
C
L
MNFN
C
C
M
D
P
F
I
Y
F
F
ACK
G
Y
K
R
K
V
--------
M
R
M
L
K
R
Q
V
S
V
S
I
S
S
A
V
KSAPEEN
S
R
E
M
T
E
T
Q
M
M
I
HSKSSNGK------------------------------------------------------------------------------------------------------
40
Fugue
90.16
27%
-135
- 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
CG
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
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
---------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
86.59
25%
-142
- C2 -
4MBS
8
CCR5_HUMAN (first)
A:
[31-366]
----------------------------------
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
PEDGDPDNGV-
N
P
G
------------------------------------------------------------------------------------------------------------------------------------------------------------
T
---------------
D
----------------------------------------
F
K
DIPDDWVCPLC
G
V
G
K
DQ
F
E
E
V
E
E
EK
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
-------------------------------------------------------------------------------------------------------------------------------------------
21
HHSearch
84.22
26%
-128
- C2 -
3ODU
6
CXCR4_HUMAN (first)
A:
[42-496]
------------------------------
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
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
---------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
84.00
25%
-139
- 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
TVCG
Y
I
Y
N
PEDGDPDNGV
N
P
G
------------------------------------------------------------------------------------------------------------------------------------------------------------
T
---------------
D
FKDIVCPLCGVGKDQ
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
---------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
83.22
25%
-137
- 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
TVCG
Y
I
Y
N
PEDGDPDNGV
N
P
G
------------------------------------------------------------------------------------------------------------------------------------------------------------
T
---------------
D
FKDIPDDWVCPLCGVGKDQ
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
---------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
80.37
26%
-146
- C2 -
4RWA
2
C562_ECOLX (first)
A:
[129-400]
-------------------------------------------
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
80.21
29%
-153
- C2 -
5C1M
7
?
A:
[16-294]
----------------------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
79.87
26%
-148
- C2 -
4EA3
3
C562_ECOLX (first)
A:
[132-401]
-------------------------------------------
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
-----------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
79.56
21%
-136
- C2 -
3EML
13
ENLYS_BPT4
A:
[23-472]
--------------------------------------
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
-------------------------------------------------------------------------------------------------------------------------------------
24
HHSearch
78.61
23%
-135
- C2 -
3RZE
5
ENLYS_BPT4 (first)
A:
[12-443]
----------------------------------------
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
------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
78.58
26%
-138
- C2 -
4RWD
6
C562_ECOLX (first)
A:
[129-400]
-------------------------------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
77.32
26%
-142
- C2 -
4N6H
22
OPRD_HUMAN
A:
[132-403]
-------------------------------------------
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
---------------------------------------------------------------------------------------------------------------------------------------
43
Fugue
77.29
21%
-108
- C2 -
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
SN
I
F
---------------------
E
M
L
------------------------------------------------------------------------------------------------------------------------------------------------------------
R
---------------
I
----------------------------------------
D
E
-----------
G
L
R
L
-------------
K
I
Y
K
D
TEG
Y
Y
T
I
G
I
G
H
L
L
T
K
S
P
S
L
N
A
A
K
S
E
L
D
K
A
I
G
RNTNGVIT
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
YGSK
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
23
HHSearch
76.91
19%
-135
- C2 -
2RH1
16
ADRB2_HUMAN (first)
A:
[41-477]
-------------------------------------
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
------------------------------------------------------------------------------------------------------------------------------------------
42
Fugue
75.94
17%
-108
- 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
VRSPFE
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
YTP
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
-----------------------------------------------------------------------------------------------------------------------
32
HHSearch
74.95
20%
-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
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
------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
74.44
25%
-134
- C2 -
4XT3
2
US28_HCMVA
A:
[48-316]
-------------------------------------------
Y
G
V
V
F
L
F
G
S
I
G
N
F
L
V
I
F
T
I
T
W
R
R
R
I
Q
C
S
G
D
V
Y
F
I
N
L
A
A
A
D
L
L
F
V
C
-
T
-
L
P
L
W
M
Q
-
Y
L
L
D
H
----
A
S
V
P
C
T
L
L
T
A
C
F
Y
V
A
M
F
A
S
L
C
F
I
T
E
I
A
L
D
R
Y
Y
A
I
V
Y
-
M
R
Y
R
P
V
---
K
Q
---
A
C
L
F
S
I
--
F
W
W
I
F
A
V
I
I
A
I
P
H
F
M
-
V
V
T
K
K
-
D
---
N
----
Q
C
---
M
-
T
-
D
Y
D
---
Y
---
L
E
V
-
S
Y
P
I
I
L
N
V
E
L
-
M
L
-
G
A
F
V
I
P
L
S
V
I
S
Y
C
Y
Y
R
I
----------
S
R
---------------------
I
V
A
------------------------------------------------------------------------------------------------------------------------------------------------------------
V
---------------
S
----------------------------------------
Q
S
-----------
R
H
K
G
-------------
R
I
V
R
V
---
L
I
A
V
V
L
V
F
I
I
F
W
L
P
Y
H
L
T
L
F
V
D
T
L
K
L
L
K
---------------
W
I
S
-
S
S
C
E
F
E
R
----------
S
L
K
R
-
A
L
I
L
T
E
S
L
A
F
C
H
C
C
L
N
P
L
L
Y
V
F
V
G
T
K
F
R
Q
E
L
H
C
L
L
AE--------------------------------------------------------------------------------------------------------------------------------------------------
22
HHSearch
74.06
19%
-133
- 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
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
-------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
73.99
25%
-140
- C2 -
4XT1
13
US28_HCMVA
A:
[48-318]
-------------------------------------------
Y
G
V
V
F
L
F
G
S
I
G
N
F
L
V
I
F
T
I
T
W
R
R
R
I
Q
C
S
G
D
V
Y
F
I
N
L
A
A
A
D
L
L
F
V
C
-
T
-
L
P
L
W
M
Q
-
Y
L
L
D
------
S
V
P
C
T
L
L
T
A
C
F
Y
V
A
M
F
A
S
L
C
F
I
T
E
I
A
L
D
R
Y
Y
A
I
V
Y
-
M
R
Y
R
P
V
---
K
Q
---
A
C
L
F
S
I
--
F
W
W
I
F
A
V
I
I
A
I
P
H
F
M
-
V
V
T
K
K
-
D
---
N
----
Q
C
---
M
-
T
-
D
Y
D
---
Y
---
L
E
V
-
S
Y
P
I
I
L
N
V
E
L
-
M
L
-
G
A
F
V
I
P
L
S
V
I
S
Y
C
Y
Y
R
I
----------
S
R
---------------------
I
V
A
------------------------------------------------------------------------------------------------------------------------------------------------------------
V
---------------
S
----------------------------------------
Q
S
-----------
R
H
K
G
-------------
R
I
V
R
V
---
L
I
A
V
V
L
V
F
I
I
F
W
L
P
Y
H
L
T
L
F
V
D
T
L
K
L
L
K
---------------
W
I
S
-
S
S
C
E
F
E
R
----------
S
L
K
R
-
A
L
I
L
T
E
S
L
A
F
C
H
C
C
L
N
P
L
L
Y
V
F
V
G
T
K
F
R
Q
E
L
H
C
L
L
A
E
F
R------------------------------------------------------------------------------------------------------------------------------------------------
29
HHSearch
73.57
26%
-131
- C2 -
2LNL
-
CXCR1_HUMAN
A:
[37-323]
----------------------------------
L
N
K
Y
V
V
I
I
A
Y
A
L
V
F
L
L
S
L
L
G
N
S
L
V
M
L
V
I
L
Y
S
R
V
G
R
S
V
T
D
V
Y
L
L
N
L
A
L
A
D
L
L
F
A
L
-
T
-
L
P
I
W
A
A
S
K
--
V
N
G
W
I
F
G
T
F
L
C
K
V
V
S
L
L
K
E
V
N
F
Y
S
G
I
L
L
L
A
C
I
S
V
D
R
Y
L
A
I
V
H
A
T
R
T
L
T
Q
----
K
R
H
L
V
K
F
V
C
L
--
G
C
W
G
L
S
M
N
L
S
L
P
F
F
L
-
F
R
Q
A
Y
H
P
---
N
N
S
S
P
V
C
---
Y
-
E
-
V
L
G
---
N
---
D
T
A
K
W
R
M
V
L
R
I
L
P
H
-
T
F
-
G
-
F
I
V
P
L
F
V
M
L
F
C
Y
G
F
T
L
R
T
L
F
K
A
H
--
M
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
Q
K
H
-------------
R
A
M
R
V
---
I
F
A
V
V
L
I
F
L
L
C
W
L
P
Y
N
L
V
L
L
A
D
T
L
M
R
T
Q
---------------
V
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
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