@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 : CXCR5_HUMAN: (2016-01-09 )
MNYPLTLEMDLENLEDLFWELDRLDNYNDTSLVENHLCPATEGPLMASFKAVFVPVAYSLIFLLGVIGNVLVLVILERHRQTRSSTETFLFHLAVADLLLVFILPFAVAEGSVGWVLGTFLCKTVIALHKVNFYCSSLLLACIAVDRYLAIVHAVHAYRHRRLLSIHITCGTIWLVGFLLALPEILFAKVSQGHHNNSLPRCTFSQENQAETHAWFTSRFLYHVAGFLLPMLVMGWCYVGVVHRLRQAQRRPQRQKAVRVAILVTSIFFLCWSPYHIVIFLDTLARLKAVDNTCKLNGSLPVAITMCEFLGLAHCCLNPMLYTFAGVKFRSDLSRLLTKLGCTGPASLCQLFPSWRRSSLSESENATSLTTF
Atome Classification :
(20 SA)
.........10........20........30........40........50........60........70........80........90........100.-......--.110.--..--.-.....120.......130.......140.......150......-.160-.........170.......180......--.190........200----..---......210...-.---...-220--....-....230......-------.240.---..---------------------------------------------------.-----------------------------------------------.----.-------.250-----------------------------------------------------------------------------------------------------------------------------------------------------------------.---------------------------------------------------.--.......260.......270......---.280......-.-290..--.....300.......310.......320.......330.......340.......350.......360.......370-------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MNYP
L
T
L
E
M
D
L
E
N
L
E
D
L
F
W
E
L
D
RLDNYND
T
S
L
V
E
NHLCPATEG
P
L
M
A
S
F
K
A
V
F
V
P
V
A
Y
S
L
I
F
L
L
G
V
I
G
N
V
L
V
L
V
I
L
E
R
H
R
QTRSS
T
E
T
F
L
F
H
L
A
V
A
D
L
L
L
-
V
F
-
I
L
P
F
A
V--AE--G--S
V
--
G
-
W
V
L
G
T
F
L
C
K
T
V
I
A
L
H
K
V
N
F
Y
C
S
S
L
L
L
A
C
I
A
V
D
R
Y
L
A
I
V
H
A
V
H
A
Y
-
R
H---
R
R
L
L
S
I
H
IT
C
G
T
I
W
L
V
G
F
L
L
A
L
P
E
I
L
F
A
--
K
V
-SQGHHNNSLPR-----CT---FSQENQ
A
E
T
H
A
W
-
F
---
T
S
R
-
F
L
---
Y
H
V
A
-
G
F
L
L
P
M
L
V
M
G
W
C
Y
-------
V
G
V
V
H
---
R
L
---------------------------------------------------
R
-----------------------------------------------
Q
----
A
-------
Q
R-------------------------------------------------------------------------------------------------------------------------------------------------------------------R---------------------------------------------------
P
--
Q
R
Q
K
A
V
R
V
A
I
L
V
T
S
I
F
F
L
CWSP
Y
H
I
V
---
I
F
L
D
T
L
A
R
L
K
-A-VDN
T
C
--KLNGSLP
V
A
I
T
M
C
E
F
L
G
L
A
H
C
C
L
N
P
M
L
Y
T
F
AG
V
K
F
R
S
D
L
S
R
L
L
T
KLGCT
G
P
A
S
L
C
Q
L
F
P
S
W
R
R
SSLSESENATSLTTF-------------------------------------------------------------------------------------------------------------------------------------------
30
HHSearch
88.72
36%
-154
- C3 -
3ODU
6
CXCR4_HUMAN (first)
A:
[45-495]
-----------------------------------------------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
33
HHSearch
78.93
23%
-151
- C3 -
3RZE
5
ENLYS_BPT4 (first)
A:
[12-443]
------------------------------------------------------
V
V
V
L
S
T
I
C
L
V
T
V
G
L
N
L
L
V
L
Y
A
V
R
S
E
R
K
L
H
T
V
G
N
L
Y
I
V
S
L
S
V
A
D
L
I
V
-
G
A
V
V
M
P
M
N
I
--
L
Y
--
L
L
-
M
S
--
K
-
W
S
L
G
R
P
L
C
L
F
W
L
S
M
D
Y
V
A
S
T
A
S
I
F
S
V
F
I
L
C
I
D
R
Y
R
S
V
Q
Q
P
L
R
Y
L
-
K
Y
---
R
T
K
T
R
A
S
A
T
I
L
G
A
W
F
L
S
F
L
W
V
I
P
I
L
G
W
N
--
H
--------
R
R
E
D
K
-----
C
E
---
T
D
F
Y
D
V
---
T
-
W
------
F
K
-
V
M
---
T
A
I
I
-
N
F
Y
L
P
T
L
L
M
L
W
F
Y
-------
A
K
I
Y
K
---
A
V
---------------------------------------------------
R
-----------------------------------------------
Q
----
H
-------
C
N
I
F
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
TEG
Y
Y
T
I
G
IGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKL
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
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
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
39
HHSearch
78.67
25%
-157
- C3 -
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
GTWDAYGV
P
---------------------------------------------------
L
--
R
E
K
K
A
T
Q
M
V
A
I
V
L
G
A
F
I
V
C
W
L
P
F
F
L
T
---
H
V
L
N
T
H
C
Q
T
--------
C
--
H
---
V
S
P
E
L
Y
S
A
T
T
W
L
G
Y
V
N
S
A
L
N
P
V
I
Y
T
T
F
N
I
E
F
R
K
A
F
L
K
I
L
S
C
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
77.80
27%
-158
- C3 -
4MBS
8
CCR5_HUMAN (first)
A:
[32-366]
--------------------------------------------------
A
R
L
L
P
P
L
Y
S
L
V
F
I
F
G
F
V
G
N
M
L
V
I
L
I
L
I
N
Y
K
R
L
K
S
M
T
D
I
Y
L
L
N
L
A
I
S
D
L
F
F
-
L
L
-
T
V
P
F
W
A
--
H
Y
--
A
--
A
A
--
Q
-
W
D
F
G
N
T
M
C
Q
L
L
T
G
L
Y
F
I
G
F
F
S
G
I
F
F
I
I
L
L
T
I
D
R
Y
L
A
V
V
H
A
V
F
A
L
-
K
A
---
R
T
V
T
F
G
V
V
T
S
V
I
T
W
V
V
A
V
F
A
S
L
P
N
I
I
F
T
--
R
S
Q
K
E
G
L
H
Y
T
C
S
S
H
-----
F
P
---
Y
S
Q
-----
Y
Q
F
W
-
K
---
N
F
Q
-
T
L
---
K
I
V
I
L
G
L
V
L
P
L
L
V
M
V
I
C
Y
-------
S
G
I
L
K
---
T
L
L
R
M
K
K
Y
T
C
TVCG
Y
I
Y
N
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
77.47
23%
-153
- C3 -
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
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
48
Fugue
75.69
27%
-158
- C3 -
4XNV
15
P2RY1_HUMAN (first)
A:
[38-382]
----------------------------------
S
F
K
C
A
L
T
K
T
----
G
F
Q
F
Y
Y
L
P
A
V
Y
I
L
V
F
I
I
G
F
L
G
N
S
V
A
I
W
M
F
V
F
H
M
K
P
W
S
G
I
S
V
Y
M
F
N
L
A
L
A
D
F
L
Y
-
V
L
-
T
L
P
A
L
I
F
Y
Y
F
--
N
--
K
T
--
D
-
W
I
F
G
D
A
M
C
K
L
Q
R
F
I
F
H
V
N
L
Y
G
S
I
L
F
L
T
C
I
S
A
H
R
Y
S
G
V
V
Y
P
K
S
L
G
-
R
L
---
K
K
K
N
A
I
C
I
S
V
-
L
V
W
L
I
V
V
V
A
I
S
P
-
I
L
F
Y
---
S
-
G
T
G
V
R
K
N
K
T
I
T
-----
C
Y
---
D
T
T
S
D
E
Y
-
L
R
S
Y
-
F
---
I
Y
S
-
M
C
---
T
T
V
A
-
M
F
C
V
P
L
V
L
I
L
G
C
Y
-------
G
L
I
V
R
---
A
L
---------------------------------------------------
I
Y
K
M
K
K
Y
T
C
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
75.53
28%
-153
- C3 -
5C1M
7
?
A:
[2-293]
---------------------------------
S
H
S
L
-
P
Q
T
G
S
P
S
M
V
T
--
A
I
T
I
M
A
L
Y
S
I
V
C
V
V
G
L
F
G
N
F
L
V
M
Y
V
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
-
T
S
-
T
L
P
F
Q
S
--
V
N
--
Y
--
L
M
--
G
T
W
P
F
G
N
I
L
C
K
I
V
I
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
C
T
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
-
D
F
---
R
T
P
R
N
A
K
I
V
N
V
C
N
W
I
L
S
S
A
I
G
L
P
V
M
F
M
A
T
T
K
Y
-
R
Q
G
S
I
D
C
T
L
--------
T
---
F
S
H
P
------
T
W
-
Y
---
W
E
N
-
L
L
K
I
C
V
F
I
F
-
A
F
I
M
P
V
L
I
I
T
V
C
Y
-------
G
L
M
I
L
---
R
L
---------------------------------------------------
K
-----------------------------------------------
S
----
V
RMLSGS
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
74.98
23%
-152
- C3 -
4XNW
2
RUBR_CLOPA
A:
[47-382]
-----------------------------------------------
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
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
PEDGDPDNGVNPGTDFKDIPDDWVCPLCGVGKDQ
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
74.67
23%
-158
- C3 -
4XNV
15
P2RY1_HUMAN (first)
A:
[47-382]
-----------------------------------------------
G
F
Q
F
Y
Y
L
P
A
V
Y
I
L
V
F
I
I
G
F
L
G
N
S
V
A
I
W
M
F
V
F
H
M
K
P
W
S
G
I
S
V
Y
M
F
N
L
A
L
A
D
F
L
Y
-
V
L
-
T
L
P
A
L
I
--
F
Y
Y
F
N
--
K
T
--
D
-
W
I
F
G
D
A
M
C
K
L
Q
R
F
I
F
H
V
N
L
Y
G
S
I
L
F
L
T
C
I
S
A
H
R
Y
S
G
V
V
Y
P
-
K
S
L
G
R
L
---
K
K
K
N
A
I
C
I
S
V
-
L
V
W
L
I
-
V
V
V
A
I
S
P
I
L
F
Y
--
S
--
G
T
G
V
R
K
N
K
T
I
T
-----
C
----
Y
D
T
T
S
D
E
Y
L
R
S
Y
-
F
---
I
Y
S
-
M
C
---
T
T
V
A
-
M
F
C
V
P
L
V
L
I
L
G
C
Y
-------
G
L
I
V
R
---
A
L
---------------------------------------------------
I
-----------------------------------------------
Y
----
K
-------
M
K
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
Y
T
C
TVCG
Y
I
Y
N
PEDGDPDNGVNPGTDFKDIVCPLCGVGKDQ
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
74.63
41%
-130
- C3 -
2LNL
-
CXCR1_HUMAN
A:
[42-324]
-----------------------------------------------------
V
I
I
A
Y
A
L
V
F
L
L
S
L
L
G
N
S
L
V
M
L
V
I
L
Y
S
R
V
G
R
S
V
T
D
V
Y
L
L
N
L
A
L
A
D
L
L
F
-
A
L
-
T
L
P
I
W
A
--
A
S
--
K
--
V
N
--
G
-
W
I
F
G
T
F
L
C
K
V
V
S
L
L
K
E
V
N
F
Y
S
G
I
L
L
L
A
C
I
S
V
D
R
Y
L
A
I
V
H
A
T
R
T
L
-
T
Q
---
K
R
H
L
-
V
K
F
V
C
L
G
C
W
G
L
S
M
N
L
S
L
P
F
F
L
F
R
--
Q
A
-
Y
--
H
P
N
N
S
S
P
V
-----
C
Y
---
E
V
L
G
N
--
D
T
A
K
W
R
M
---
V
L
R
-
I
L
---
P
H
T
F
-
G
F
I
V
P
L
F
V
M
L
F
C
Y
-------
G
F
T
L
R
---
T
L
---------------------------------------------------
F
-----------------------------------------------
K
----
A
-------
H
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
---------------------------------------------------
G
--
Q
K
H
R
A
M
R
V
I
F
A
V
V
L
I
F
L
L
C
W
L
P
Y
N
L
V
---
L
L
A
D
T
L
M
R
T
Q
-
V
-
I
Q
E
S
C
--
E
R
R
N
N
I
G
R
A
L
D
A
T
E
I
L
G
F
L
H
S
C
L
N
P
I
I
Y
A
F
I
G
Q
N
F
R
H
G
F
L
K
I
L
A
M
H
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------
51
Fugue
74.52
21%
-126
- C3 -
1F88
8
OPSD_BOVIN
A:
[1-348]
--------
M
N
G
T
E
G
P
N
F
-----
Y
V
P
F
S
N
K
T
G
V
V
R
S
P
F
-
E
A
P
Q
Y
Y
L
A
E
P
W
Q
F
S
M
L
A
A
Y
M
F
L
L
I
M
L
G
F
P
I
N
F
L
T
L
Y
V
T
V
Q
H
K
K
L
R
T
P
L
N
Y
I
L
L
N
L
A
V
A
D
L
F
M
-
V
F
-
G
G
F
T
T
T
--
L
Y
--
T
--
S
L
H
G
Y
-
F
V
F
G
P
T
G
C
N
L
E
G
F
F
A
T
L
G
G
E
I
A
L
W
S
L
V
V
L
A
I
E
R
Y
V
V
V
C
K
P
M
S
N
F
-
R
F
---
G
E
N
H
A
I
-
M
G
V
A
F
T
W
V
M
A
L
A
C
A
A
P
P
L
V
----------
G
W
S
R
Y
I
P
E
GMQC
S
C
G
I
DY
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
AAAS
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
-----------------------------------------------------------------------------------------------------------------------------------------------
34
HHSearch
73.66
40%
-124
- C3 -
2LNL
-
CXCR1_HUMAN
A:
[40-322]
---------------------------------------------------
Y
V
V
I
I
A
Y
A
L
V
F
L
L
S
L
L
G
N
S
L
V
M
L
V
I
L
Y
S
R
V
G
R
S
V
T
D
V
Y
L
L
N
L
A
L
A
D
L
L
F
-
A
L
-
T
L
P
I
W
A
--
A
S
--
K
--
V
N
--
G
-
W
I
F
G
T
F
L
C
K
V
V
S
L
L
K
E
V
N
F
Y
S
G
I
L
L
L
A
C
I
S
V
D
R
Y
L
A
I
V
H
A
T
R
T
L
-
T
----
Q
K
R
H
L
V
K
F
V
C
L
G
C
W
G
L
S
M
N
L
S
L
P
F
F
L
F
R
--
Q
A
-
Y
H
--
P
N
N
S
S
P
V
-----
C
Y
---
E
V
L
G
N
D
T
--
A
K
W
-
R
---
M
V
L
R
I
L
---
P
H
T
F
-
G
F
I
V
P
L
F
V
M
L
F
C
Y
-------
G
F
T
L
R
---
T
L
---------------------------------------------------
F
-----------------------------------------------
K
----
A
--------
H
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
---------------------------------------------------
G
--
Q
K
H
R
A
M
R
V
I
F
A
V
V
L
I
F
L
L
C
W
L
P
Y
N
L
V
---
L
L
A
D
T
L
M
R
T
Q
-
V
-
I
Q
E
S
C
--
E
R
R
N
N
I
G
R
A
L
D
A
T
E
I
L
G
F
L
H
S
C
L
N
P
I
I
Y
A
F
I
G
Q
N
F
R
H
G
F
L
K
I
L
A
M
H
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
73.47
26%
-160
- C3 -
4RWA
2
C562_ECOLX (first)
A:
[122-406]
--------------------------------------------------
A
I
A
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
LL---------------------------------------------------------------
G
-----------------------------------------------
S
----
K
-------
E
K
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
---------------------------------------------------
R
--
S
L
R
R
I
T
R
M
V
L
V
V
V
G
A
F
V
V
C
W
A
P
I
H
I
F
---
V
I
V
W
T
L
V
D
I
D
-
R
-
R
D
P
L
--------
V
V
A
A
L
H
L
C
I
A
L
G
Y
A
N
S
S
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
R
C
F
R
Q
L
C
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
73.14
26%
-160
- C3 -
4RWD
7
C562_ECOLX (first)
A:
[122-406]
--------------------------------------------------
A
I
A
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
R
L
---
L
S
---------------------------------------------------
G
-----------------------------------------------
S
----
K
-------
E
K
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
---------------------------------------------------
R
--
S
L
R
R
I
T
R
M
V
L
V
V
V
G
A
F
V
V
C
W
A
P
I
H
I
F
---
V
I
V
W
T
L
V
D
I
D
-
R
-
R
D
P
L
--------
V
V
A
A
L
H
L
C
I
A
L
G
Y
A
N
S
S
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
R
C
F
R
Q
L
C
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
52
Fugue
72.92
26%
-137
- C3 -
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
GIG
H
L
L
T
K
S
P
S
L
N
-
A
-
A
K
S
E
L
D
K
A
I
G
R
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
---
N
A
K
L
K
P
V
Y
D
S
L
D
A
V
R
R
A
A
L
I
N
M
V
F
Q
M
G
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
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
FHCC
L
N
P
I
L
Y
AFLGAKFKTS
A
Q
H
A
L
TSGRPLEVLFQ
32
HHSearch
72.20
22%
-147
- C3 -
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
TGTWDAYKF--
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
71.80
30%
-154
- C3 -
4XT3
2
US28_HCMVA
A:
[48-316]
---------------------------------------------------------
Y
G
V
V
F
L
F
G
S
I
G
N
F
L
V
I
F
T
I
T
W
R
R
R
I
Q
C
S
G
D
V
Y
F
I
N
L
A
A
A
D
L
L
F
-
V
C
-
T
L
P
L
W
M
--
Q
Y
--
L
--
L
D
--
H
----
A
S
V
P
C
T
L
L
T
A
C
F
Y
V
A
M
F
A
S
L
C
F
I
T
E
I
A
L
D
R
Y
Y
A
I
V
Y
M
-----
R
Y
---
R
P
V
K
Q
A
C
L
F
S
I
F
W
W
I
F
A
V
I
I
A
I
P
H
F
M
-----
V
-
V
T
K
K
D
N
Q
C
M
-------------
T
D
Y
D
Y
L
E
V
S
Y
P
-
I
---
I
L
N
-
V
E
---
L
M
L
G
-
A
F
V
I
P
L
S
V
I
S
Y
C
Y
-------
Y
R
I
S
R
---
I
V
---------------------------------------------------
A
-----------------------------------------------
V
----
S
-------
Q
S
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
------------------------------------------------------
H
K
G
R
I
V
R
V
L
I
A
V
V
L
V
F
I
I
F
W
L
P
Y
H
L
T
---
L
F
V
D
T
L
K
L
L
K
-
W
-
I
S
S
S
C
--
E
F
E
R
S
L
K
R
A
L
I
L
T
E
S
L
A
F
C
H
C
C
L
N
P
L
L
Y
V
F
V
G
T
K
F
R
Q
E
L
H
C
L
L
A
E
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
71.54
26%
-161
- C3 -
4N6H
23
C562_ECOLX (first)
A:
[125-411]
--------------------------------------------------
A
I
A
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
R
L
---
L
S
---------------------------------------------------
G
-----------------------------------------------
S
----
K
-------
E
K
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
---------------------------------------------------
R
--
S
L
R
R
I
T
R
M
V
L
V
V
V
G
A
F
V
V
C
W
A
P
I
H
I
F
---
V
I
V
W
T
L
V
D
I
D
-
R
-
R
D
P
L
--------
V
V
A
A
L
H
L
C
I
A
L
G
Y
A
N
S
S
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
R
C
F
R
Q
L
C
R
K
P
C
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
70.79
30%
-155
- C3 -
4XT1
13
US28_HCMVA
A:
[48-317]
---------------------------------------------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
68.92
22%
-157
- C3 -
4MQT
2
ACM2_HUMAN
A:
[36-332]
----------------------------------------------
K
T
F
E
V
V
F
I
V
L
V
A
G
S
L
S
L
V
T
I
I
G
N
I
L
V
M
V
S
I
K
V
N
R
H
L
Q
T
V
N
N
Y
F
L
F
S
L
A
C
A
D
L
I
I
G
V
F
-
S
M
N
L
Y
T
--
L
Y
--
T
--
V
I
--
G
Y
W
P
L
G
P
V
V
C
D
L
W
L
A
L
D
Y
V
V
S
N
A
S
V
M
N
L
L
I
I
S
F
D
R
Y
F
C
V
T
K
P
L
T
Y
P
-
V
K
---
R
T
T
K
M
A
G
M
M
I
A
A
A
W
V
L
S
F
I
L
W
A
P
A
I
L
F
W
--
Q
F
-
I
V
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--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PS
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
C
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