@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 : CXCR3_HUMAN: (2016-01-09 )
MVLEVSDHQVLNDAEVAALLENFSSSYDYGENESDSCCTSPPCPQDFSLNFDRAFLPALYSLLFLLGLLGNGAVAAVLLSRRTALSSTDTFLLHLAVADTLLVLTLPLWAVDAAVQWVFGSGLCKVAGALFNINFYAGALLLACISFDRYLNIVHATQLYRRGPPARVTLTCLAVWGLCLLFALPDFIFLSAHHDERLNATHCQYNFPQVGRTALRVLQLVAGFLLPLLVMAYCYAHILAVLLVSRGQRRLRAMRLVVVVVVAFALCWTPYHLVVLVDILMDLGALARNCGRESRVDVAKSVTSGLGYMHCCLNPLLYAFVGVKFRERMWMLLLRLGCPNQRGLQRQPSSSRRDSSWSETSEASYSGL
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
V
L
EVSDHQVL
N
D
A
E
V
A
A
L
L
E
N
FSSSYDYGENESDSCCTSPPCPQDFSLN
F
D
R
A
F
L
P
--------
A
L
Y
S
L
L
F
L
L
--
G
L
LG
N
G
A
V
A
A
V
L
L
S
R
RTALSST
D
T
F
L
L
H
L
A
VA
D
T
L
L
V
L
-T-
L
P
--
L
W
A
V
D
A
-
A
--
V
-
Q
--
W
V
F
GS
G
L
C
K
V
A
G
A
L
F
NI
N
F
Y
A
G
A
L
L
L
A
C
I
S
F
D
R
Y
L
N
I
V
H
A
T
Q
L
Y
RR---GPP
A
R
V
T
L
T
C
L
A
V
W
G
L
C
L
L
F
AL
P
D
F
I
F
-
L
SAH-HD-ERL----NAT
H
C
QY----N
F
----
P
----
Q
---
V
-
G
---
R
---
T
A
L
R
------
V
L
Q
L
V
A
G
---
F
L
L
P
L
L
V
M
A
Y
C
Y
A
H
I
L
----
A
V
L
-----
L
----------------------------------------------------
V
-------SR------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
-------
R
R
L
R
A
M
----
R
L
V
V
V
V
V
V
A
F
A
L
----
C
WT
P
Y
H
L
V
V
L
V
D
I
--
L
M
D
-------
L
G
A
L
-
A
R
NCGR
E
S
-------------
R
V
D
V
A
K
S
V
T
SG
L
G
Y
M
H
C
C
L
N
P
L
L
Y
A
F
V
G
V
K
F
R
E
R
M
W
M
L
L
L
RLGCPNQRGLQRQPSSSR--RDSSWSETSEASYSGL-----------------------------------------------------------------------------------------------------------------------------
28
HHSearch
91.71
36%
-150
- C4 -
3ODU
6
CXCR4_HUMAN (first)
A:
[37-497]
-----------------------------------------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
85.25
30%
-175
- C4 -
4N6H
22
OPRD_HUMAN
A:
[128-413]
-------------------------------------------------------
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
RLLSGS
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
------------------------------------------------------------------------------------------------------------------------------------------------------------
53
Fugue
85.09
31%
-130
- C4 -
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
SPS
L
N
A
A
K
S
E
L
-
D
K
A
I
G
R
N
T
NGVIT
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
48
Fugue
84.45
27%
-153
- C4 -
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
TD
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
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
84.31
30%
-154
- C4 -
4MBS
8
CCR5_HUMAN (first)
A:
[21-366]
-----------------------------------------
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
YSQ
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
40
HHSearch
84.03
28%
-166
- C4 -
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
83.81
30%
-170
- C4 -
4RWD
6
C562_ECOLX (first)
A:
[125-406]
-------------------------------------------------------
I
T
--------
A
L
Y
S
A
V
C
A
V
--
G
L
L
G
N
V
L
V
M
F
G
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
T
S
-
T
-
L
P
--
F
Q
S
A
K
Y
-
L
--
M
-
E
T-
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
A
S
G
V
G
V
P
--
I
M
-
V
M
A
V
-
T
R
-
P
R
D
----
G
A
V
V
C
M
L
----
Q
F
----
P
----
S
---
P
-
S
W
Y
W
D
---
T
V
T
K
------
I
C
V
F
L
F
A
---
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
L
----
L
R
L
-----
R
----------------------------------------------------
S
V
RLLSGS
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
82.72
30%
-168
- C4 -
4RWA
2
C562_ECOLX (first)
A:
[125-406]
-------------------------------------------------------
I
T
--------
A
L
Y
S
A
V
C
A
V
--
G
L
L
G
N
V
L
V
M
F
G
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
T
S
-
T
-
L
P
--
F
Q
S
A
K
Y
-
L
--
M
-
E
T-
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
A
S
G
V
G
V
P
--
I
M
-
V
M
A
V
-
T
R
-
P
R
D
----
G
A
V
V
C
M
L
----
Q
F
----
P
----
S
---
P
-
S
W
Y
W
D
---
T
V
T
K
------
I
C
V
F
L
F
A
---
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
L
----
L
-------------------------------------------------------------GS-----
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
81.98
31%
-157
- C4 -
4XT3
2
US28_HCMVA
A:
[26-316]
------------------------------
E
D
A
T
-------
P
C
V
F
T
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
81.80
22%
-156
- C4 -
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
TGTWDAYPP
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
81.58
29%
-175
- C4 -
4EA3
3
C562_ECOLX (first)
A:
[121-401]
--------------------------------------------------------
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
81.49
31%
-159
- C4 -
4XT1
15
US28_HCMVA
A:
[23-318]
---------------------------
D
Y
D
E
D
A
T
-------
P
C
V
F
T
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
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
80.23
24%
-166
- C4 -
4XNW
2
RUBR_CLOPA
A:
[48-382]
--------------------------------------------------
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
PEDGDPDNGVNPGTDFKDIPDDWVCPLCG-------
V
-------
G
K
------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
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
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------
36
HHSearch
80.21
22%
-155
- C4 -
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
79.59
24%
-165
- C4 -
4XNV
15
P2RY1_HUMAN (first)
A:
[48-382]
--------------------------------------------------
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
PEDGDPDNGVNPGTDFKDIVCPLCG-----------
V
-------
G
K
------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
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
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------
34
HHSearch
77.48
42%
-124
- C4 -
2LNL
-
CXCR1_HUMAN
A:
[37-322]
--------------------------------------------------
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
AKW
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
76.95
44%
-127
- C4 -
2LNL
-
CXCR1_HUMAN
A:
[46-314]
-------------------------------------------------------------------
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
EVLG
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
76.55
27%
-167
- C4 -
5C1M
7
?
A:
[22-294]
-----------------------------------------------------------------
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
75.99
21%
-153
- C4 -
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------
50
Fugue
73.68
20%
-106
- C4 -
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
GY
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
YTPH
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
KEAAA
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
----------------------------------------------------------------------------------------------------------------------------------