@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 : MRGRF_HUMAN: (2016-01-11 )
MAGNCSWEAHPGNRNKMCPGLSEAPELYSRGFLTIEQIAMLPPPAVMNYIFLLLCLCGLVGNGLVLWFFGFSIKRNPFSIYFLHLASADVGYLFSKAVFSILNTGGFLGTFADYIRSVCRVLGLCMFLTGVSLLPAVSAERCASVIFPAWYWRRRPKRLSAVVCALLWVLSLLVTCLHNYFCVFLGRGAPGAACRHMDIFLGILLFLLCCPLMVLPCLALILHVECRARRRQRSAKLNHVILAMVSVFLVSSIYLGIDWFLFWVFQIPAPFPEYVTDLCICINSSAKPIVYFLAGRDKSQRLWEPLRVVFQRALRDGAELGEAGGSTPNTVTMEMQCPPGNAS
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.----------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
---MAGNC
S
W
EAH-PGNRNKMCPGLSE
A
P
E
L
Y
S
RG
F
L
T
I
E
Q
I
AML-----P
P
-
P
--
A
V
M
N
Y
I
F
L
-----
L
L
-------
C
L
C
G
LVGN
G
L
V
L
W
F
FG-FSI-K-R-N
P
F
S
----
I
Y
F
L
H
LASA
D
V
G
Y
L
F
--
S
--
K
--
A
V
-----
F
-
S
I
L
NTGG
F
L
G
T
F
A
D
Y
I
R
S
V
C
R
V
L
G
L
C
-----
M
F
L
T
G
V
S
---LLPAV
S
A
E
R
C
A
S
V
I
F
P
A
W
Y
W
RR---R
P
K
R
L
S
A
--
V
V
C
A
L
L
W
V
L
S
L
L
V
T
C
L
H
N
--
Y
-
F
C
V
F
LGR--G----------A------PG
A
A
C
R
H
----------
M
-----------
D
---------
I
F
L
G
I
L
L
F
L
L
C
C
P
L
-
M
V
L
-
P
--
C
L
A
L
I
L
H
V
E
C
R
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
---
R
Q
-------
R
SA
K
L
N
H
V
I
L
A
M
-------------
V
S
V
F
L
V
S
S
I
Y
L
G
I
D
W
F
L
F
W
V
F
-Q-----------I-----------PA---P
F
P
E
Y
V
T
D
L
C
I
CINSSA---K
P
I
V
Y
F
LAGRD
K
S
Q
R
L
W
E
-
P
L
R
V
V
F
Q
R
A
L
RDGA-ELGEAGG---STP
N
T
V
T
M
E
M
QCPPGNAS----------
21
HHSearch
87.33
17%
-146
- C2 -
3ODU
6
CXCR4_HUMAN (first)
A:
[45-498]
--------------------------------------------
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
PN
D
L
W
V
V
V
-
F
Q
F
Q
H
I
M
V
G
L
I
L
P
G
-
I
V
I
L
S
--
C
Y
C
I
I
I
S
K
L
S
H
S
GSN
I
F
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
TEG
Y
Y
T
I
GIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
IGRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKLK
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KRW
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYG
S
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
---
G
H
-------
Q
K
R
K
A
L
K
T
T
V
I
L
-------------
I
L
A
F
F
A
C
W
L
P
Y
Y
I
G
I
S
I
D
S
F
I
-
L
L
EI
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
----------------------------------------
22
HHSearch
85.70
16%
-146
- C2 -
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
VR
T
----------
V
------
E
D
G
E
C
Y
I
----------
Q
-----------
F
FSN
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
TGTWDAYP--
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
--------------------------------------------------
25
HHSearch
85.43
14%
-136
- C2 -
2RH1
16
ADRB2_HUMAN (first)
A:
[40-477]
-----------------------------------------------------
V
--
V
G
M
G
I
V
M
S
-----
L
I
-------
V
L
A
I
V
F
G
N
V
L
V
I
T
A
I
A
-
K
F
E
R
L
-
Q
-
T
V
T
N
----
Y
F
I
T
S
L
A
C
A
D
L
V
M
G
L
--
A
--
V
--
V
P
-----
F
-
G
A
A
H
I
L
M
K
M
W
T
F
G
N
F
W
C
E
F
W
T
S
I
D
V
L
-----
C
V
T
A
S
I
E
---
T
L
C
V
I
A
V
D
R
Y
F
A
I
T
S
P
F
K
Y
Q
S
L
---
L
T
K
N
K
A
R
--
V
I
I
L
M
V
W
I
V
S
G
L
T
S
F
L
P
I
--
Q
M
H
W
Y
R
A
T
H
--
Q
----------
E
A
I
N
C
Y
-
A
E
E
T
C
C
D
F---------
F
TN
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
TGTWDAYK--
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
-------------------------------------------------
43
Fugue
85.40
19%
-123
- C2 -
1U19
15
OPSD_BOVIN
A:
[4-349]
---
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
GG
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
MQC
S
C
G
I
DYY
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
QQESA
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
AV
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
-------------
32
HHSearch
82.98
20%
-145
- 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
GTWDAYG
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
TC---------
H
-----------
V
S
---
P
E
L
Y
S
A
T
T
W
L
G
Y
V
N
S
A
L
---
N
P
V
I
Y
T
T
F
N
I
E
F
R
K
A
F
L
K
-
I
L
S
C
-------------------------------------------------
41
Fugue
82.47
15%
-119
- 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
GG
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
MQC
S
C
G
I
DYY
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
--------------
30
HHSearch
81.80
17%
-144
- C2 -
3EML
13
ENLYS_BPT4
A:
[21-472]
-----------------------------------------------------
S
--
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
--------------SQGCGE
G
Q
V
A
C
L
F
----------
E
-----------
D
VVP
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
LN
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
DCS--------
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
--------------------------------------------
33
HHSearch
80.29
20%
-135
- C2 -
2LNL
-
CXCR1_HUMAN
A:
[39-322]
-----------------------------------------------------
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
LGNDTAKWRM-
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
QVIQE
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
-----------------------------------------------
44
Fugue
79.38
17%
-146
* C1 *
4IIK
18
SIDD_LEGPH
A:
[1-314]
---
M
R
S
I
I
T
Q
I
C
N
G
V
L
H
G
Q
S
Y
Q
S
G
S
N
D
L
D
K
G
N
S
E
I
F
A
S
S
L
F
V
H
L
N
-----
E
Q
G
K
--
E
I
K
D
S
D
D
K
-----
I
V
-------
I
G
Y
T
K
D
G
M
A
F
Q
I
V
V
D
G
-
F
Y
--------------------------
G
C
E
--
R
--
Q
--
A
V
-----
F
-
S
F
I
D
N
Y
-
V
L
P
L
I
D
N
F
S
L
D
L
T
R
Y
P
-----------------------
D
S
K
K
V
T
E
S
L
I
H
T
I
Y
S
L
R
---
S
K
H
A
P
L
A
--
E
-----
F
T
M
S
L
C
V
T
Y
Q
K
D
E
Q
L
-
F
C
A
G
F
G
I
--
G
----------
D
------
T
G
I
A
I
K
R
----------
N
-----------
E
------------
G
T
I
E
Q
L
V
C
-----------------
H
T
E
V
D
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
DAF
D
N
-------
Y
S
S
A
N
I
D
L
V
I
E
R
-------------
N
S
V
F
N
-
T
K
V
M
P
G
-
D
E
L
V
G
Y
T
Y
-
V
-----------
P
-----------
P
M
LEM
T
E
K
E
F
E
V
E
K
R
I
V
R
H
L
N
L
---
D
P
G
N
F
-----
D
D
K
D
P
L
F
S
-
Q
L
L
Q
V
V
K
S
K
Q
K
Q
L
V
-
E
Q
A
K
E
T
G
Q
I
Q
R
F
G
D
D
F
T
V
G
R
L
V
I
P
D
Q
L
L
I
N
Q
L
R
I
H
A
L
S
42
Fugue
78.13
17%
-137
- 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
TTSDEY
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
DGDPDNGVNPGTD
F
K
D
I
V
C
P
L
C
G
V
G
K
D
Q
F
E
E
V
E
E
-
P
-----------
L
-----------
R
R
---
K
S
I
Y
L
V
I
I
V
L
T
V
F
A
V
S
Y
---
I
P
F
H
V
M
K
T
M
N
L
R
A
R
L
D
F
Q
T
P
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
RRR-------
29
HHSearch
76.58
15%
-145
- C2 -
1U19
14
OPSD_BOVIN
A:
[40-327]
-----------------------------------------------------
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
YYTPHEETN
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
AQQQESA
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
GS---------
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
--------------------
24
HHSearch
74.32
14%
-140
- C2 -
2Z73
5
OPSD_TODPA
A:
[33-336]
---------------------------------------------------
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
ISRD
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
LE---------
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
-------------------
31
HHSearch
74.10
14%
-142
- C2 -
2KS9
1
NK1R_HUMAN
A:
[32-326]
-----------------------------------------------------
I
--
V
L
W
A
A
A
Y
T
-----
V
I
-------
V
V
T
S
V
V
G
N
V
V
V
M
W
I
I
L
-
A
H
K
R
M
-
R
-
T
V
T
N
----
Y
F
L
V
N
L
A
F
A
E
A
S
M
A
A
--
F
--
N
--
T
V
-----
V
N
F
T
Y
A
V
H
N
E
W
Y
-
Y
G
L
F
Y
C
K
F
H
N
F
F
P
I
A
-----
A
V
F
A
S
I
Y
---
S
M
T
A
V
A
F
D
R
Y
M
A
I
I
H
P
L
Q
P
R
L
-----
S
A
T
A
T
K
--
V
V
I
C
V
I
W
V
L
A
L
L
L
A
F
P
Q
G
--
Y
-
Y
S
T
T
E
-
T
--
M
----------
P
------
S
R
V
V
C
M
I
----------
E
WPEHPNKIY
E
K
V
---------
Y
H
I
C
V
T
V
L
I
Y
F
L
P
L
-
L
V
I
G
Y
--
A
Y
T
V
V
G
I
T
L
W
A
S
EIPGDSSDRYH--------------------------------------------------------------------------------------------------------------------------------------------------------
E
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
---
V
S
-------
A
K
R
K
V
V
K
M
M
I
V
V
-------------
V
C
T
F
A
I
C
W
L
P
F
H
I
F
F
L
L
P
Y
I
N
-
P
-----------
D
LYLKK------
F
I
---
Q
Q
V
Y
L
A
I
M
W
L
A
M
S
S
T
M
Y
---
N
P
I
I
Y
C
C
L
N
D
R
F
R
L
G
F
K
H
-
A
F
R
C
C
P
F
I
S
A
G
D
Y
E
-
G
L
E
M
K
S
T
---
R
Y
L
Q
T
Q
G
S
V
Y
K
V
S
R
L
E
T
T
----------
28
HHSearch
71.33
14%
-140
- C2 -
3RZE
5
ENLYS_BPT4 (first)
A:
[9-443]
--------------------------------------------------------
M
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
YDV
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
TGTWDAYL--
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
-------------------------------------------------
49
Fugue
70.63
17%
-136
- C1 -
1DMU
5
T2B1_BACIU
A:
[1-299]
MYN
L
H
R
E
K
I
F
M
S
Y
-
N
Q
N
K
Q
Y
L
E
D
N
P
E
I
Q
E
K
I
E
L
Y
G
L
N
L
L
N
E
V
I
S
D
-----
N
E
-
E
--
E
I
R
A
D
Y
N
E
-----
A
N
-------
F
L
-------
H
P
F
W
M
N
Y
-
P
P
L
-
D
-
R
-
G
K
M
P
KGDQ
I
P
W
I
E
V
G
E
K
A
V
G
S
K
L
--
T
--
R
--
L
V
S
Q
RED
I
-
T
V
R
E
I
G
L
P
T
G
P
D
E
R
Y
L
L
T
S
P
T
I
Y
S
L
T
N
GFTD
S
I
M
M
F
V
D
---
I
K
S
V
G
P
R
D
S
D
Y
D
L
V
L
S
----------
P
N
Q
V
S
G
--
N
G
D
W
-----
A
Q
L
E
G
G
I
Q
N
--
N
-
Q
Q
T
I
Q
G
P
-------------------------
R
S
----------
S
-----------
Q
---------
I
F
L
P
T
I
P
-----
P
L
-
Y
I
L
-
S
DG
T
I
A
P
V
V
H
L
F
I
K
P
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
Y
---
A
M
-------
R
S
L
T
K
G
D
T
G
Q
S
L
-------------
Y
K
I
K
L
A
S
-
V
P
N
G
L
G
L
F
C
N
-----------------------------------
P
G
Y
A
F
D
-------
S
A
---
Y
K
F
L
F
R
P
G
K
D
D
R
T
K
S
L
L
Q
-------
K
R
V
R
V
D
L
R
-
V
L
D
K
I
G
------
P
R
V
M
T
I
D
M
D
K
----------------
27
HHSearch
70.24
14%
-144
- C2 -
3V2Y
1
ENLYS_BPT4
A:
[60-495]
--------------------------------------------
E
-----
N
S
-
I
--
K
L
T
S
V
V
F
I
-----
L
I
-------
C
C
F
I
I
L
E
N
I
F
V
L
L
T
I
W
-
K
T
K
K
F
-
H
-
R
P
M
Y
----
Y
F
I
G
N
L
A
L
S
D
L
L
A
G
V
--
A
--
Y
--
T
A
-----
N
-
L
L
L
S
G
A
T
T
Y
K
-
L
T
P
A
Q
W
F
L
R
E
G
S
M
F
V
-----
A
L
S
A
S
V
F
---
S
L
L
A
I
A
I
E
R
Y
I
T
M
L
K
-----------
N
N
F
R
L
F
--
L
L
I
S
A
C
W
V
I
S
L
I
L
G
G
L
P
I
--
M
-
G
W
N
C
I
S
---------------------
A
L
S
S
C
S
T
----------
V
-----------
L
PLYH
K
----
H
Y
I
L
F
C
T
T
V
F
T
L
L
L
-
L
S
I
V
I
--
L
Y
C
R
I
Y
S
L
V
R
T
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
I
F
E
M
L
R
IDEGLRL
K
I
Y
K
D
TE
G
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
TGTWDAYA
S
--
R
---
S
S
-------
E
N
V
A
L
L
K
T
V
I
I
V
-------------
L
S
V
F
I
A
C
W
A
P
L
F
I
L
L
L
L
D
V
G
C
-
K
VKT--------
C
-----------
D
I
---
L
F
R
A
E
Y
F
L
V
L
A
V
L
N
S
G
T
---
N
P
I
I
Y
T
L
T
N
K
E
M
R
R
A
F
I
R
-
I
M
G
R
P
L
-----------------------------------------------
3
PsiBlast_PDB
67.13
21%
-171
- C2 -
4XNW
1
RUBR_CLOPA
A:
[56-235]
-------------------------------------------------------------
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
TS---------
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
D
G
D
P
D
N
G
V
N
P
G
T
-
D
-----------
F
-----------
K
D
---
I
P
D
D
W
V
C
P
L
C
G
V
G
K
D
Q
F
---
E
E
V
E
E
P
L
R
R
K
S
I
Y
L
V
I
I
V
-
L
T
V
F
A
V
S
Y
I
P
F
H
V
M
-
K
T
M
N
L
R
A
---
R
L
D
F
Q
T
P
A
M
C
A
F
N
D
R
V
Y
A
----------
2
PsiBlast_PDB
63.10
21%
-168
- C2 -
4XNV
11
P2RY1_HUMAN
A:
[56-235]
-------------------------------------------------------------
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
TS---------
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
D
G
D
P
D
N
G
V
N
P
G
T
-
D
-----------
F
-----------
K
D
---
I
V
C
P
L
C
G
V
G
K
D
Q
F
E
E
V
E
---
E
P
L
R
R
K
S
I
Y
L
V
I
I
V
L
T
V
F
-
A
V
S
Y
I
P
F
H
V
M
K
T
M
N
-
L
R
A
R
L
D
F
---
Q
T
P
A
M
C
A
F
N
D
R
V
Y
A
T
Y
Q
V
----------
6
PsiBlast_PDB
59.46
25%
-149
- C2 -
3OE9
1
CXCR4_HUMAN (first)
A:
[38-178]
------------------------------------------
C
F
R
------------
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
N
I
F
E
M
L
R
I
D
-------------
E
G
L
R
L
K
I
Y
K
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
----------
1
PsiBlast_PDB
59.22
22%
-123
- C2 -
4YAY
1
AGTR1_HUMAN (first)
A:
[79-251]
---------------
A
N
E
G
K
V
K
E
A
Q
A
A
A
E
Q
L
K
T
T
R
N
A
Y
I
Q
K
Y
L
I
L
NSSDC
P
K
-
A
--
G
R
H
N
Y
I
F
V
-----
M
I
P
T
L
Y
S
I
I
F
V
V
G
I
F
G
N
S
L
V
V
I
V
I
Y
-
F
Y
M
-
K
L
K
-
T
V
A
S
----
V
F
L
L
N
L
A
L
A
D
L
C
F
L
L
--
T
--
L
--
P
L
-----
W
-
A
V
Y
T
A
M
E
Y
R
W
P
F
G
N
Y
L
C
K
I
A
S
A
S
V
S
F
-----
N
L
Y
A
S
V
F
---
L
L
T
C
L
S
I
D
R
Y
L
A
I
V
H
P
M
K
S
R
L
R
---
R
T
M
L
V
A
K
--
V
T
C
I
I
I
W
L
L
A
G
L
A
S
L
P
A
I
--
I
-
H
R
N
V
F
F
I
--
I
----------
T
------
V
C
A
F
H
Y
E
----------
T
-----------
L
---------
P
I
G
L
G
L
T
K
N
I
L
G
F
L
-
F
P
F
-
L
--
I
I
L
T
S
Y
T
L
I
W
K
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
---
K
N
-------
D
D
I
F
K
I
I
M
A
I
V
L
-------------
F
F
F
F
S
W
I
P
H
Q
I
F
T
F
L
D
V
L
I
Q
L
-
G
-----------
I
-----------
I
R
---
D
C
R
I
A
D
I
V
D
T
A
M
P
I
T
I
C
---
I
A
Y
F
N
N
C
L
N
P
L
F
Y
G
F
L
G
K
-
K
F
K
R
Y
F
L
Q
L
L
-------------------------------------------