@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 : GP182_HUMAN: (2016-01-10 )
MSVKPSWGPGPSEGVTAVPTSDLGEIHNWTELLDLFNHTLSECHVELSQSTKRVVLFALYLAMFVVGLVENLLVICVNWRGSGRAGLMNLYILNMAIADLGIVLSLPVWMLEVTLDYTWLWGSFSCRFTHYFYFVNMYSSIFFLVCLSVDRYVTLTSASPSWQRYQHRVRRAMCAGIWVLSAIIPLPEVVHIQLVEGPEPMCLFMAPFETYSTWALAVALSTTILGFLLPFPLITVFNVLTACRLRQPGQPKSRRHCLLLCAYVAVFVMCWLPYHVTLLLLTLHGTHISLHCHLVHLLYFFYDVIDCFSMLHCVINPILYNFLSPHFRGRLLNAVVHYLPKDQTKAGTCASSSSCSTQHSIIITKGDSQPAAAAPHPEPSLSFQAHHLLPNTSPISPTQPLTPS
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..------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MSVKPSWGPGPSEG
V
T
AVP
T
S
D
L
G
E
IH
N
W
T
E
L
L
D
L
F
N
H
T
L
S
E
C
H
-
V
E
L
SQST
K
R
V
V
L
F
A
L
Y
L
A
M
F
V
V
G
L
V
E
N
L
L
V
I
-
C
VNWRGSGRAG
L
M
N
L
--
Y
I
L
N
--
M
A
----
I
A
D
L
G
I
V
L
S--L-
P
V
W
M
L
E
-
V
T
L
D
Y
T
W
L
W
G
S
F
S
C
R
F
T
H
Y
F
Y
F
V
N
M
Y
S
S
I
F
F
L
V
CLSVD
R
Y
V
T
LTSASP
S
W
Q
R
---
Y
Q
H
R
V
R
R
A
M
C
A
G
I
--
W
--
V
L
S
A
IIPLP
E
V
V
H
-
I
--
Q
-L----V----E----GPE
P
M
C
L
------
F
MAPFETYS-
T
W
A
L
A
V
A
L
S
T
T
I
L
G
F
L
L
P
F
P
L
I
T
V
F
N
---
V
-------
L
T
A
C
----------------------------------RLR-----Q----------------------PG---------------------------Q--------------------------------------------------------------------------------------------------------------------------------------------------------------------PKS-R-R
H
-
C
L
L
L
C
A
Y
V
A
V
F
V
M
C
W
L
P
Y
H
V
--
T
L
L
L
L
T
LHG
T
H
-
I
S
-
L
H
C
H
L
V
H
L
L
Y
F
F
Y
D
V
I
D
C
F
S
M
L
H
C
V
I
N
P
I
L
Y
N
FL
S
P
H
F
R
G
R
L
L
N
A
V
V
H
YLPKD---QTKAGTCASSSSCST
Q
H
S
I
I
I
TKGDSQPAAAAPHPEPSL
S
F
Q
A
H
HLLPNTSPISPTQPLTPS------------------------------------------------------------------------------------------------------------------------
27
HHSearch
84.13
24%
-167
- C2 -
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
TGTWDAYGSK
G
H
Q
K
-
R
-
K
A
-
L
K
T
T
V
I
L
I
L
A
F
F
A
C
W
L
P
Y
Y
I
--
G
I
S
I
D
S
F
I
L
L
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
80.32
24%
-164
- C2 -
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
PEDGDPDNGVN
P
G
TDFKDIPDDWVCPLCGVGKDQ
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
52
Fugue
77.02
19%
-132
- 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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
N
I
F
E
M
L
R
I
D
E
G
L
--
R
L
K
I
Y
K
D
T
E
G
Y
-
Y
T
-
I
G
--
I
G
H
L
L
T
K
S
P
S
L
N
A
A
K
S
E
L
D
K
A
I
G
R
N
T
N
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
K
L
K
P
V
Y
D
S
L
D
A
V
R
R
A
A
L
I
N
M
V
F
Q
M
G
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
K
R
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYGSK
G
H
Q
K
R
K
A
L
K
T
T
V
I
L
I
L
A
F
F
A
C
W
L
P
Y
Y
I
G
I
S
I
D
S
F
I
L
L
EI
I
K
Q
G
C
E
F
E
N
T
V
H
K
W
I
S
I
T
E
A
L
A
F
FHCC
L
N
P
I
L
Y
AFLGAKFKTS
A
Q
H
A
L
TSGRPLEVLFQ
37
HHSearch
76.36
19%
-168
* 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
GTWDAYGVP
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
75.56
19%
-158
- C2 -
2RH1
16
ADRB2_HUMAN (first)
A:
[39-477]
----------------------------------------------------
W
V
V
G
M
G
I
V
M
S
L
I
V
L
A
I
V
F
G
N
V
L
V
I
-
T
A
I
A
K
F
E
R
L
Q
T
V
T
N
Y
--
F
I
T
S
--
L
A
----
C
A
D
L
V
M
G
L
A
V-
V
-
P
F
G
A
-
A
-
H
I
L
M
K
M
W
T
F
G
N
F
W
C
E
F
W
T
S
I
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
V
D
R
Y
F
A
I
T
S
P
F
K
Y
Q
S
L
---
L
T
K
N
K
A
R
V
I
I
L
M
V
--
W
--
I
V
S
G
L
T
S
F
L
P
I
Q
M
H
W
--
Y
-
R
----
A
----
T
H---
Q
E
A
I
N
C
Y
------
A
E
E
T
C
C
D
F
--
F
T
N
Q
A
Y
A
I
A
S
S
I
V
S
F
Y
V
P
L
V
I
M
V
F
V
Y
---
S
-------
R
V
F
Q
----------------------------------
E
A
K
-----
R
----------------------
Q
L
---------------------------
N
I
F
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
TEGYYTIGIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYKFC--
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
34
HHSearch
74.96
21%
-158
- C2 -
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
TGTWDAYLHM--
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
50
Fugue
74.92
19%
-141
- 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
ASATT----------------------
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
------------------------------------------------------------------------------------------------------------------------
30
HHSearch
74.06
20%
-168
- C2 -
3UON
4
ACM2_HUMAN (first)
A:
[22-457]
----------------------------------------------------
E
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
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
TGTWDAYPPP--
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
73.63
25%
-168
- C2 -
3ZEV
6
NTR1_RAT
A:
[18-321]
----------------------------------------------------
S
K
V
L
V
T
A
I
Y
L
A
L
F
V
V
G
T
V
G
N
S
V
T
L
-
F
T
L
A
R
K
K
---
S
L
Q
S
T
V
D
Y
Y
L
G
--
S
L
----
A
L
S
D
L
L
I
L
L
L
A
M
-
P
V
E
L
Y
N
F
I
W
V
H
H
P
W
A
F
G
D
A
G
C
R
G
Y
Y
F
L
R
D
A
C
T
Y
A
T
A
L
N
V
V
S
L
S
V
E
L
Y
L
A
I
C
H
P
F
K
A
K
T
L
---
M
S
R
S
R
T
K
K
F
I
S
A
I
--
W
--
L
A
S
A
L
L
A
I
P
M
L
F
T
-
M
--
G
-
L
----
Q
NLSG
D
----
G
T
H
P
G
G
L
------
V
C
T
P
I
V
D
T
A
-
T
L
K
V
V
I
Q
V
N
T
-
F
M
S
F
L
F
P
M
L
V
A
S
I
L
N
---
T
-------
V
I
A
N
----------------------------------
K
L
T
V
M
V
HQ-----------------------
P
G
---------------------------
R
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
Q
A
L
R
-
R
G
-
V
L
V
L
R
A
V
V
I
A
F
V
V
C
W
L
P
Y
H
V
--
R
R
L
M
F
C
-
Y
I
S
D
-
E
Q
-
W
T
T
F
L
F
D
F
Y
H
Y
F
Y
M
L
T
N
A
L
V
Y
V
S
A
A
I
N
P
I
L
Y
N
L
V
S
A
N
F
R
Q
V
F
L
S
T
L
A
C
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
73.47
26%
-178
- C2 -
4BWB
1
NTR1_RAT
A:
[18-321]
----------------------------------------------------
S
K
V
L
V
T
A
I
Y
L
A
L
F
V
V
G
T
V
G
N
G
V
T
L
-
F
T
L
A
-----
Q
S
L
Q
S
R
V
D
Y
Y
L
G
S
L
A
L
----
S
D
L
L
I
L
L
F
A
--
L
-
P
V
D
L
Y
N
F
I
W
V
H
H
P
W
A
F
G
D
A
G
C
K
G
Y
Y
F
L
R
E
A
C
T
Y
A
T
A
L
N
V
V
S
L
S
V
E
L
Y
L
A
I
C
H
P
F
K
A
K
T
L
---
M
S
R
S
R
T
K
K
F
I
S
A
I
--
W
--
L
A
S
A
L
L
A
I
P
M
L
F
T
-
M
--
G
-
L
----
Q
NLSG
D
----
G
T
H
P
G
G
L
------
V
C
T
P
I
V
D
T
A
-
T
L
R
V
V
I
Q
L
N
T
-
F
M
S
F
L
F
P
M
L
V
A
S
I
L
N
---
T
-------
V
A
A
R
----------------------------------
R
L
T
V
M
V--
E
----------------------
P
G
---------------------------
R
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
Q
A
L
R
-
R
G
-
V
L
V
L
R
A
V
V
I
A
F
V
V
C
W
L
P
Y
H
V
--
R
R
L
M
F
-
V
Y
I
S
D
-
E
Q
-
W
T
T
A
L
F
D
F
Y
H
Y
F
Y
M
L
S
N
A
L
V
Y
V
S
A
A
I
N
P
I
L
Y
N
L
V
S
A
N
F
R
Q
V
F
L
S
T
L
A
C
L
C
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
49
Fugue
73.40
23%
-172
- 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
DTTSDE
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
PEDGDPDNGVNPGTDFKDIVCPLCGVGKD
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
73.19
26%
-176
- C2 -
4BV0
1
NTR1_RAT
A:
[19-321]
-----------------------------------------------------
K
V
L
V
T
A
I
Y
L
A
L
F
V
V
G
T
V
G
N
G
V
T
L
-
F
T
L
A
R
K
-------
S
R
V
D
Y
Y
L
G
S
L
A
L
----
S
D
L
L
I
L
L
F
A
--
L
-
P
V
D
V
Y
N
F
I
W
V
H
H
P
W
A
F
G
D
A
G
C
K
G
Y
Y
F
L
R
E
A
C
T
Y
A
T
A
L
N
V
V
S
L
S
V
E
L
Y
L
A
I
R
H
P
-----
L
---
M
S
R
S
R
T
K
K
F
I
S
A
I
--
W
--
L
A
S
A
L
L
A
I
P
M
L
F
T
-
V
--
G
-
L
----
Q
NLSG
D
----
G
T
H
P
G
G
L
------
V
C
T
P
I
V
D
T
A
-
T
L
K
V
V
I
Q
L
N
T
-
F
M
S
F
L
F
P
M
L
V
A
S
I
L
N
---
T
-------
V
I
A
R
----------------------------------
R
L
T
V
M
V
H------------------------
P
G
---------------------------
R
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
Q
A
L
R
-
R
G
-
V
L
V
L
R
A
M
V
I
A
F
V
V
C
W
L
P
Y
H
V
--
R
R
L
M
F
-
V
Y
I
S
D
-
E
Q
-
W
T
T
A
L
F
D
F
Y
H
Y
F
Y
M
L
S
N
A
L
V
Y
V
S
A
A
I
N
P
I
L
Y
N
L
V
S
A
N
F
R
Q
V
F
L
S
T
L
A
C
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
73.04
29%
-157
- C2 -
2LNL
-
CXCR1_HUMAN
A:
[30-313]
------------------------------------------
C
M
-
L
E
T
E
T
L
N
K
Y
V
V
I
I
A
-
Y
A
L
V
F
L
L
S
L
L
G
N
S
L
V
M
-
L
V
I
L
Y
S
R
V
G
R
S
V
T
D
V
--
Y
L
L
N
--
L
A
----
L
A
D
L
L
F
A
L
T
--
L
-
P
I
W
--
A
-
A
S
K
V
N
G
W
I
F
G
T
F
L
C
K
V
V
S
L
L
K
E
V
N
F
Y
S
G
I
L
L
L
A
C
I
S
V
D
R
Y
L
A
I
V
H
A
T
R
T
L
T
Q
---
K
R
H
L
V
-
K
F
V
C
L
G
C
--
W
--
G
L
S
M
N
L
S
L
P
F
F
L
F
-
R
--
Q
-
A
----
Y
HP--
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
72.89
25%
-166
- C2 -
4BUO
10
NTR1_RAT
A:
[17-318]
----------------------------------------------------
S
K
V
L
V
T
A
I
Y
L
A
L
F
V
V
G
T
V
G
N
S
V
T
L
-
F
T
L
A
R
K
K
---
S
L
Q
S
T
V
D
Y
Y
L
G
--
S
L
----
A
L
S
D
L
L
I
L
L
L
A
M
-
P
V
E
L
Y
N
F
I
W
V
H
H
P
W
A
F
G
D
A
G
C
R
G
Y
Y
F
L
R
D
A
C
T
Y
A
T
A
L
N
V
V
S
L
S
V
E
L
Y
L
A
I
C
H
P
F
K
A
K
T
L
---
M
S
R
S
R
T
K
K
F
I
S
A
I
--
W
--
L
A
S
A
L
L
A
I
P
M
L
F
T
-
M
--
G
-
L
----
Q
NLSG
D
----
G
T
H
P
G
G
L
------
V
C
T
P
I
V
D
T
A
-
T
L
K
V
V
I
Q
V
N
T
-
F
M
S
F
L
F
P
M
L
V
A
S
I
L
N
---
T
-------
V
I
A
N
----------------------------------
K
L
T
V
M
V
H
Q-----------------------
P
G
---------------------------
R
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
Q
A
L
R
-
R
G
-
V
L
V
L
R
A
V
V
I
A
F
V
V
C
W
L
P
Y
H
V
--
R
R
L
M
F
C
-
Y
I
S
D
-
E
Q
-
W
T
T
F
L
F
D
F
Y
H
Y
F
Y
M
L
T
N
A
L
V
Y
V
S
A
A
I
N
P
I
L
Y
N
L
V
S
A
N
F
R
Q
V
F
L
S
T
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
29
HHSearch
72.20
19%
-161
- C2 -
2Z73
5
OPSD_TODPA
A:
[28-336]
-----------------------------------------------
Q
V
P
D
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
72.10
28%
-178
- C2 -
4XT3
2
US28_HCMVA
A:
[35-310]
----------------------------------------------
D
V
L
N
Q
S
K
P
V
T
L
F
-
L
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
A
E
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
39
HHSearch
71.76
28%
-159
- C2 -
2LNL
-
CXCR1_HUMAN
A:
[36-322]
--------------------------------------------------
T
L
N
K
Y
V
V
I
I
A
Y
A
L
V
F
L
L
S
L
L
G
N
S
L
V
M
-
L
V
I
L
Y
S
R
V
G
R
S
V
T
D
V
--
Y
L
L
N
--
L
A
----
L
A
D
L
L
F
A
L
T
--
L
-
P
I
W
A
A
S
-
K
--
V
N
G
W
I
F
G
T
F
L
C
K
V
V
S
L
L
K
E
V
N
F
Y
S
G
I
L
L
L
A
C
I
S
V
D
R
Y
L
A
I
V
H
A
T
R
T
L
T
Q
----
K
R
H
L
V
K
F
V
C
L
G
C
--
W
--
G
L
S
M
N
L
S
L
P
F
F
L
F
-
R
--
Q
-
A
----
Y
----
H
PN--
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
71.63
24%
-177
- C2 -
4XEE
4
?
A:
[32-345]
-----------------------------------------------------
K
V
L
V
T
A
I
Y
L
A
L
F
V
V
G
T
V
G
N
S
V
T
L
-
F
T
L
A
R
K
-------
S
T
--
V
H
Y
H
--
L
G
S
L
A
L
S
D
L
L
I
L
L
L
A
--
M
-
P
V
E
L
Y
N
F
I
W
V
H
H
P
W
A
F
G
D
A
G
C
R
G
Y
Y
F
L
R
D
A
C
T
Y
A
T
A
L
N
V
A
S
L
S
V
E
R
Y
L
A
I
C
H
P
F
K
A
K
T
L
---
M
S
R
S
R
T
K
K
F
I
S
A
I
--
W
--
L
A
S
A
L
L
A
I
P
M
L
F
T
-
M
--
G
-
L
Q
N
RS
A
----
D
----
G
T
H
P
G
G
L
------
V
C
T
P
I
V
D
T
A
-
T
V
K
V
V
I
Q
V
N
-
T
F
M
S
F
L
F
P
M
L
V
I
S
I
L
N
---
T
-------
V
I
A
N
----------------------------------
K
L
T
V
M
V-------------------------
P
G
---------------------------
R
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
Q
A
-
L
-
R
H
G
V
L
V
L
R
A
V
V
I
A
F
V
V
C
W
L
P
Y
H
V
--
R
R
L
M
F
-
C
Y
I
S
D
-
E
Q
-
W
T
T
F
L
F
D
F
Y
H
Y
F
Y
M
L
T
N
A
L
F
Y
A
S
S
A
I
N
P
I
L
Y
N
L
V
S
A
N
F
R
Q
V
F
L
S
T
L
N
I
F
E
M
L
R
---
I
D
E
G
L
R
L
K
I
Y
K
D
T
E
G
Y
Y
T
I
G
I
G
H
L
L
T
K
S
P
S
L
N
A
A
K
S
E
L
D
K
A
I
G
R
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
N
Q
D
------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
71.14
24%
-169
- C2 -
4XES
5
?
A:
[32-345]
-----------------------------------------------------
K
V
L
V
T
A
I
Y
L
A
L
F
V
V
G
T
V
G
N
S
V
T
L
-
F
T
L
A
R
K
K
S
L
Q
S
L
Q
S
T
--
V
H
Y
H
--
L
G
S
L
A
L
S
D
L
L
I
L
L
L
A
--
M
-
P
V
E
L
Y
N
F
I
W
V
H
H
P
W
A
F
G
D
A
G
C
R
G
Y
Y
F
L
R
D
A
C
T
Y
A
T
A
L
N
V
A
S
L
S
V
A
R
Y
L
A
I
C
H
P
F
K
A
K
T
L
---
M
S
R
S
R
T
K
K
F
I
S
A
I
--
W
--
L
A
S
A
L
L
A
I
P
M
L
F
T
-
M
--
G
-
L
Q
N
RS
A
----
D
----
G
T
H
P
G
G
L
------
V
C
T
P
I
V
D
T
A
-
T
V
K
V
V
I
Q
V
N
-
T
F
M
S
F
L
F
P
M
L
V
I
S
I
L
N
---
T
-------
V
I
A
N
----------------------------------
K
L
T
V
M
V-------------------------
P
G
---------------------------
R
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
Q
A
-
L
-
R
H
G
V
L
V
L
R
A
V
V
I
A
F
V
V
C
W
L
P
Y
H
V
--
R
R
L
M
F
-
C
Y
I
S
D
-
E
Q
-
W
T
T
F
L
F
D
F
Y
H
Y
F
Y
M
L
T
N
A
L
F
Y
A
S
S
A
I
N
P
I
L
Y
N
L
V
S
A
N
F
R
Q
V
F
L
S
T
N
I
F
E
M
L
R
I
---
D
E
G
L
R
L
K
I
Y
K
D
T
E
G
Y
Y
T
I
G
I
G
H
L
L
T
K
S
P
S
L
N
A
A
K
S
E
L
D
K
A
I
G
R
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
N
Q
D
V
------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
71.02
28%
-188
- C2 -
4XT1
15
US28_HCMVA
A:
[35-310]
----------------------------------------------
D
V
L
N
Q
S
K
P
V
T
L
F
-
L
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
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Y
D
Y
L
E
V
S
Y
P
I
I
L
N
V
E
L
M
L
G
A
F
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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
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S
L
A
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C
C
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L
Y
V
F
V
G
T
K
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Q
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L
L
A
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F
R
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------