@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 : OR8K1_HUMAN: (2016-01-14 )
MNHVVKHNHTAVTKVTEFILMGITDNPGLQAPLFGLFLIIYLVTVIGNLGMVILTYLDSKLHTPMYFFLRHLSITDLGYSTVIAPKMLVNFIVHKNTISYNWYATQLAFFEIFIISELFILSAMAYDRYVAICKPLLYVIIMAEKVLWVLVIVPYLYSTFVSLFLTIKLFKLSFCGSNIISYFYCDCIPLMSILCSDTNELELIILIFSGCNLLFSLSIVLISYMFILVAILRMNSRKGRYKAFSTCSSHLTVVIMFYGTLLFIYLQPKSSHTLAIDKMASVFYTLLIPMLNPLIYSLRNKEVKDALKRTLTNRFKIPI
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-----------------...--------.....--------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
----------------------------MN-------HVVKHN
H
T
A
V
T
K
V
T
----
E
F
--------
I
L
M
--GITD-------N-----------PGLQ
A
P
L
--
F
G
---------
L
F
------------------
L
I
I
Y
L
V
T
------
V
I--G--------------N
L
G
M
V
I
L
T
Y
-
L
DSK------L
H
T
P
M
-----
Y
F
F
L
R
---------HLSITDLGYSTV
I
-
A
P
---
K
M
L
V
-------
N
F
I
-VHKN-----
T
I
S
Y
N
W
Y
A
T
Q
L
A
F
F
E
I
-
F
I
I
------
S
E
L
F
----------
I
L
S
-----------------
A
M
A
Y
D
R
Y
-
V
A
I
---
C
------
K
P
-----------
L
L
------------------------
Y
V
I
I
---
M
A
E
K
V
L
W
V
L
V
I
V
P
Y
L
Y
--------
S
T
F
V
S
L
F
L
T
I
K
L
F
K
-----
L
SFCG
S
N
--
I
I
S
Y
-
F
Y
C
D
----
C
I
P
L
------------
M
S
I
--
L
CSDT-N--
E
L
E
L
I
I
L
I
F------SG-------
C
N
L
L
F
S
L
S
I
V
----
L
I
---
S
Y
M
F
I
----------
L
V
A
I
-------
L
RM-------NS------------------------------------------------------------------------------------------------------------------------------------------------------------------R-------------------------------------------------------------------------------------------------------------------------------------------------------------------KG
R
---
Y
K
A
F
S
T
CSSHL
T
V
V
I
M
F
Y
---
G
T
L
---------
L
------
F
I
Y
LQPKSS------------H---T------------
L
A
I
D
K
-----------
M
A
S
-----
V
F
Y
T
L
L
I
P
M
-
L
N
P
L
I
Y
S
-----LR
N
K
E
V
--------------
K
D
A
L
K
R
T
L
------------------TNR--------FKIPI--------
40
Fugue
86.66
17%
-136
- C5 -
1F88
8
OPSD_BOVIN
A:
[1-348]
----------------------------
M
N
G
T
E
G
PNF
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
AASATTQ
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
CGKNPSTTVSKT-----
E
T
S
--------
Q
V
A
P
A
--------
27
HHSearch
85.94
16%
-147
- C5 -
3EML
13
ENLYS_BPT4
A:
[21-470]
------------------------------------------------------------------------------------------------
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
---------
S
-
Q
G
C
G
----
E
G
Q
---------------
V
--
A
C
L
F
E
-
D
VV
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
PDCS--------
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
---------
23
HHSearch
79.68
19%
-157
- C5 -
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
TGTWDAYLH-
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
NC-
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
----------------------
41
Fugue
79.05
16%
-127
- C5 -
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
APQYYLA
E
-----------
P
W
Q
F
S
M
L
--
A
A
---------
Y
M
------------------
F
L
L
I
M
L
G
------
F
P
--
I
--------------
N
F
L
T
L
Y
V
T
V
-
Q
H
K
K
------
L
R
T
P
L
-----
N
Y
I
L
L
---------
N
L
A
V
A
D
L
F
M
V
F
G
G
-
F
T
---
T
T
L
Y
-------
T
S
L
-
H
G
Y
F
-----
V
F
G
P
T
G
C
N
L
E
G
F
F
A
T
L
-
G
G
E
------
I
A
L
W
----------
S
L
V
-----------------
V
L
A
I
E
R
Y
-
V
V
V
---
C
------
K
P
-----------
M
S
N
-----------------------
F
R
F
G
---
E
N
H
A
I
M
G
V
A
F
T
W
V
M
A
L
--------
A
C
A
A
P
P
L
V
G
W
S
R
Y
---------------
I
P
E
G
-
M
Q
C
S
----
C
G
I
D
------------
Y
Y
T
--
P
H
E
E
T
-
N
--
N
E
S
F
V
I
Y
M
F
------
V
V
-------
H
F
-
I
I
P
L
I
V
I
----
F
F
---
C
Y
G
Q
L
----------
V
F
T
V
-------
K
E
A
-------
A
A
------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
Q
E
---
S
A
T
T
Q
K
A
E
K
E
V
T
R
M
V
I
I
M
---
V
I
A
---------
F
------
L
I
C
W
L
P
Y
A
G
------------
V
---
A
------------
F
Y
I
F
T
H
QGSDFGPIFM
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
CGKNPLGDDEA
S
T
T
V
S
K
T
E
T
--------
S
Q
V
A
P
A-------
32
HHSearch
78.60
16%
-153
- C5 -
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
TCH
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
----------------------
24
HHSearch
78.57
17%
-145
- C5 -
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
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
NL-
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
----------------------
21
HHSearch
77.76
16%
-147
- C5 -
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
--
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
PC-
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
-----------------------
29
HHSearch
76.89
18%
-147
- C5 -
3V2Y
1
ENLYS_BPT4
A:
[61-495]
----------------------------------------------------------------------------------------------
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
P
------------
L
----------
Y
---
H
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
---
V
KTC
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
------------
31
HHSearch
75.65
15%
-154
- C5 -
2Z73
5
OPSD_TODPA
A:
[32-332]
----------------------------------------------------------------------------------------------
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
LEW
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
--------
22
HHSearch
73.99
16%
-141
- C5 -
3ODU
6
CXCR4_HUMAN (first)
A:
[46-498]
----------------------------------------------------------------------------------------------
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
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
--------
28
HHSearch
69.41
13%
-146
- C5 -
2KS9
1
NK1R_HUMAN
A:
[33-324]
-------------------------------------------------------------------------------------------------
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
W
P
------------
E
H
P
--
N
---
K
-
I
--
Y
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
-------
E
I
PGDSSDRYH
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
LYLKKF------
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
--------
30
HHSearch
68.99
14%
-131
- C5 -
1U19
14
OPSD_BOVIN
A:
[39-327]
-----------------------------------------------------------------------------------------------
Q
F
S
M
L
--
A
A
---------
Y
M
------------------
F
L
L
I
M
L
G
------
F
P
--
I
--------------
N
F
L
T
L
Y
V
T
V
-
Q
H
K
K
------
L
R
T
P
L
-----
N
Y
I
L
L
---------
N
L
A
V
A
D
L
F
M
V
F
G
G
-
F
T
---
T
T
L
Y
-------
T
S
L
-
H
G
Y
F
-----
V
F
G
P
T
G
C
N
L
E
G
F
F
A
T
L
-
G
G
E
------
I
A
L
W
----------
S
L
V
-----------------
V
L
A
I
E
R
Y
-
V
V
V
---
C
------
K
P
-----------
M
S
------------------------
N
F
R
F
----
G
E
N
H
A
I
M
G
V
A
F
T
W
V
M
--------
A
L
A
C
A
A
P
P
L
V
G
W
S
R
-------
Y
--
I
P
--
E
G
M
Q
-
C
S
C
G
----
I
D
Y
Y
------------
T
P
H
-----
E
E
-
T
--
N
N
E
S
F
V
I
Y
M
------
F
V
-------
V
H
F
I
I
P
L
I
V
I
----
F
F
---
C
Y
G
Q
L
----------
V
F
T
V
-------
K
E
A
-------
A
A
------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
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
QGS---------
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
--------
45
Fugue
67.86
17%
-169
* C3 *
4TQT
8
?
A:
[14-490]
A
S
K
V
I
K
G
G
T
V
I
T
AD
R
T
F
R
A
D
I
L
I
E
DGKI
A
A
-------
I
G
D
S
L
E
G
D
E
V
I
D
A
S
----
G
C
--------
Y
V
M
PG
G
I
D
P
-------
H
-----------
T
H
L
Q
M
P
F
--
M
G
---------
T
Y
SSDD
F
D
T
G
T
A
A
A
L
A
G
GTT
M
V
V
D
F
V
L
------
P
D
SE
G
--------------
N
L
L
D
A
L
Q
E
W
-
F
Q
K
A
------
G
K
A
R
T
-----
D
Y
S
F
----------
H
M
A
I
T
G
W
N
E
R
T
F
N
-
E
M
---
A
E
V
V
K
R
GINTF
H
F
M
-
A
Y
K
G
-----
A
L
M
V
N
D
D
E
M
F
A
S
F
Q
R
C
-
A
E
L
------
G
A
M
P
----------
L
V
H
-----------------
A
E
N
G
D
I
V
-
A
Q
L
---
Q
------
A
K
-----------
L
M
A
E
GNDG
P
E
A
H
A
Y
S
R
P
P
E
V
E
G
E
A
T
N
R
A
I
M
---
I
A
D
Q
A
G
V
P
L
Y
V
V
H
V
S
C
--------
E
Q
S
H
E
A
I
R
R
A
R
Q
K
G
-----
M
R
V
F
G
E
P
--
L
I
Q
H
-
L
T
L
D
----
E
S
E
Y
HNRD
W
D
Y
A
A
R
R
V
M
S
P
--
P
F
R
D
K
L
N
--
Q
D
S
L
W
A
G
L
A
------
A
G
SL
Q
C
V
A
T
D
H
C
A
F
T
T
E
Q
K
----
R
Y
GIG
N
F
T
K
I
P
N
G
T
G
G
LEER
M
P
V
L
-------
W
T
R
-------
G
V
------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
G
R
LT
P
N
E
F
V
A
V
T
S
T
N
I
A
K
I
L
N
I
Y
PQK
G
A
V
---------
V
PGADAD
L
V
I
W
D
P
E
T
T
------------
K
---
K
------------
I
S
A
K
T
-----------
Q
H
S
SIDYN
V
F
E
G
F
E
L
K
G
-
L
P
I
M
T
L
S
RGRIA
F
D
K
G
Q
V
TAKPGD
G
R
F
I
E
R
E
P
N
G
A
V
N
R
A
L
------------------
S
Q
W
--------
K
E
I
V
A
P
R
K
V
E
R
S
A
33
HHSearch
67.67
14%
-135
- C5 -
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
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
------------
49
Fugue
64.84
18%
-179
- C2 -
4ZOX
-
SQT1_YEAST
A:
[3-381]
-----------------------MSNNS
L
T
-------
Y
F
D
K
H
T
D
S
V
F
A
I
G
H
H
PNL
P
L
--------
V
C
T
--
G
G
G
D
-------
N
L
A
H
L
W
T
SHSQP
P
K
F
A
G
T
L
T
G
Y
G
---------
E
S
------------------
V
I
S
C
S
F
T
SEGG
F
L
V
T
--
A
--------------
D
M
S
G
K
V
L
V
H
-
M
G
Q
K
GGAQWK
L
A
S
Q
M
Q
EVEE
I
V
W
L
K
---------
T
H
P
T
I
A
R
T
F
A
F
G
A
-
T
D
---
G
S
V
W
-------
C
Y
Q
-
I
N
E
Q
-----
D
G
S
L
E
Q
L
M
S
G
F
V
H
Q
Q
D
-
C
S
M
------
G
E
F
I
NTDKGENT
L
E
L
V
T
-----------------
C
S
L
D
S
T
I
-
V
A
W
NCF
T
------
G
Q
-----------
Q
L
------------------------
F
K
I
T
---
Q
A
E
--------
I
K
G
L
E
--------
A
P
W
I
S
L
S
L
A
P
E
T
L
T
KGNS
G
V
V
A
C
G
S
N
NG
L
L
A
V
-
I
N
C
N
NGGA
I
L
H
L
------------
S
T
V
I
E
L
K
P
E
Q
-
D
--
E
L
D
A
S
I
E
S
I
------
S
W
-------
S
S
K
F
S
L
M
A
I
G
----
L
V
---
C
G
E
I
L
----------
L
Y
D
-------------------
T
------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
W
R
---
V
R
H
K
F
V
L
E
D
S
V
T
K
-
L
M
F
D
---
N
D
D
---------
L
------
F
A
S
C
I
N
G
K
V
------------
Y
---
Q
------------
F
N
A
R
T
-----------
G
Q
E
-----
K
F
V
C
V
G
H
N
M
G
V
L
D
F
I
L
L
-----
H
P
V
A
N
T
--------------
G
T
E
Q
K
R
K
V
------------------
I
T
A
G
DEG
V
S
L
V
F
E
V
P
N
--------
43
Fugue
64.29
18%
-146
* C4 *
4KPP
4
?
A:
[2-396]
----------------------------
D
F
-------
T
K
E
K
F
Q
L
L
A
I
S
S
L
T
----
L
P
--------
W
L
I
--
S
L
A
F
-------
N
Y
H
H
--------
P
A
L
T
Q
T
L
--
L
S
---------
G
L
------------------
A
V
V
S
A
S
F
------
L
I
--
S
W
A
A
E
T
A
E
M
D
VPRSF
S
L
A
I
V
A
L
L
A
-
V
L
P
E
------
Y
A
V
D
G
-----
Y
F
A
W
K
A
G
S
VGGE
Y
V
H
Y
A
T
A
N
M
T
G
A
N
R
L
-
L
I
G
I
G
W
S
L
V
-------
A
F
I
-
A
F
R
T
-----
L
K
S
K
E
V
E
L
D
D
G
I
R
L
E
I
-
F
F
L
------
F
L
A
T
----------
L
Y
A
F
T
L
P
L
K
GHIS
P
F
D
A
L
V
F
V
S
L
Y
A
I
Y
-
I
Y
L
---
S
------
T
K
AER
E
E
V
E
V
G
G
V
P
A
------------------------
Y
L
C
S
---
L
K
T
E
T
R
R
L
S
V
V
V
L
F
L
F
--------
A
G
F
T
I
L
M
S
V
E
A
F
S
E
-----
G
L
L
E
T
A
R
--
I
A
G
I
-
D
E
F
L
----
A
V
Q
W
------------
I
A
P
--
L
A
S
E
S
-
P
--
E
L
I
V
A
I
Y
F
V
R
R
FR
V
S
A
S
-------
M
N
A
L
I
S
S
K
V
N
Q
W
T
L
L
I
---
G
T
I
A
I
----------
I
Y
S
I
S
A
FKL
Q
S
L
P
L
-------
D
A
------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
S
E
---
E
V
L
L
T
A
A
Q
S
L
F
A
V
A
I
L
L
D
---
L
K
I
S
W
K
E
A
S
A
L
F
L
------
L
F
I
V
Q
L
L
F
P
------------
G
---
V
------------
E
V
R
Y
I
-----------
I
S
A
-----
I
Y
I
I
L
S
L
P
I
-
L
F
A
----------
K
R
K
E
I
--------------
V
E
S
F
-
R
T
V
------------------
K
R
L
--------
I
S
L
E
---------
47
Fugue
59.88
16%
-141
- C4 -
2VDW
-
MCES_VACCW
B:
[1-287]
----------------------------
M
D
-------
E
I
V
K
N
I
R
E
G
T
H
V
L
L
----
P
F
Y
ETL
P
E
L
N
L
S
L
--
G
K
S
P
-------
L
-----------
P
S
L
E
-----
Y
G
AN-------
Y
F
------------------
L
Q
I
S
R
V
N
------
D
L
--
N
--------------
R
M
P
T
D
M
L
K
L
-
F
T
H
D
------
I
M
L
P
E
-----
S
D
L
D
K
---------
V
Y
E
I
L
K
I
N
S
V
K
Y
Y
-
G
R
---
S
T
K
A
-------
D
A
V
-
V
A
D
L
-----
S
A
R
N
K
L
F
K
R
E
R
D
A
I
K
-----------
S
T
E
N
----------
N
L
Y
-----------------
I
S
D
Y
K
M
L
T
F
D
V
---
F
------
R
P
-----------
L
F
------------------------
D
--
F
---
V
N
E
K
--
Y
C
I
I
K
L
P
T
L
F
G
R
G
V
I
D
T
M
R
I
Y
C
S
L
F
K
N
V
R
L
L
K
-----
C
V
-------------------------------------------
S
D
S
-
W
--
L
K
D
S
A
I
M
V
A
------
S
D
----------------
V
----
C
K
---
K
N
L
D
L
----------
F
M
S
H
-------
V
K
S
-------
V
T
------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
S
S
---
W
K
-----
D
V
N
S
V
Q
F
S
I
L
N
---
N
P
V
---------
D
------
T
E
F
I
N
K
F
L
E
------------
F
---
S
------------
N
R
V
Y
E
-----------
A
L
Y
-----
Y
V
H
S
L
L
Y
S
S
-
M
T
S
D
S
K
S
-----
I
E
N
K
H
Q
--------------
R
R
L
V
K
L
L
L
------------------------------------------
20
PsiBlast_PDB
54.67
22%
-148
- C5 -
4IB4
10
5HT2B_HUMAN (first)
A:
[35-181]
-----------------------------------------------------------------------------------------------------------------
L
I
------------------
L
M
V
I
I
P
T
------
I
G
--
G
--------------
N
T
L
V
I
L
A
V
S
-
L
E
K
K
------
L
Q
Y
A
T
-----
N
Y
F
L
M
---------
S
L
A
V
A
D
L
L
V
G
L
F
V
-
M
P
---
I
A
L
L
-------
T
I
M
-
F
E
A
M
WPLP
L
V
L
C
P
A
W
L
-----
F
L
D
V
L
F
S
T
------
A
S
I
W
----------
H
L
C
-----------------
A
I
S
V
D
R
Y
-
I
A
I
---
K
------
K
P
-----------
I
Q
------------------------
A
N
Q
Y
---
N
S
R
A
T
A
F
I
K
I
T
V
V
W
L
I
--------
S
I
G
I
A
I
P
V
P
I
K
G
I
E
-----
T
---
N
P
N
--
N
I
T
C
-
V
L
T
K
----
E
R
F
G
------------
D
F
M
--
L
F
G
S
L
-
A
--
A
F
F
T
P
L
A
I
M
------
I
V
-------
T
Y
F
L
T
I
H
A
L
Q
----
K
K
---
A
A
D
L
E
----------
D
N
W
E
-------
T
L
N
-------
D
N
------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
V
I
---
E
K
A
D
N
A
A
Q
V
K
D
A
L
T
K
M
R
A
---
A
A
L
---------
D
------
A
Q
K
K
D
F
R
H
G
------------
F
---
D
------------
I
L
V
G
Q
-----------
I
D
D
-----
A
L
K
L
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
Q
--------
T
I
S
N
E
--------
14
PsiBlast_PDB
54.50
20%
-157
- C5 -
3NYA
3
ADRB2_HUMAN (first)
A:
[40-179]
-------------------------------------------------------
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
W
----------
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
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
--------
10
PsiBlast_PDB
54.21
27%
-173
- C5 -
3OE9
1
CXCR4_HUMAN (first)
A:
[38-175]
---------------------------------------------------------------------------------------------------
C
--
F
R
NFN
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
HATNSQ
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
--------