@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 : CCR2_HUMAN: (2016-01-09 )
MLSTSRSRFIRNTNESGEEVTTFFDYDYGAPCHKFDVKQIGAQLLPPLYSLVFIFGFVGNMLVVLILINCKKLKCLTDIYLLNLAISDLLFLITLPLWAHSAANEWVFGNAMCKLFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWLVAVFASVPGIIFTKCQKEDSVYVCGPYFPRGWNNFHTIMRNILGLVLPLLIMVICYSGILKTLLRCRNEKKRHRAVRVIFTIMIVYFLFWTPYNIVILLNTFQEFFGLSNCESTSQLDQATQVTETLGMTHCCINPIIYAFVGEKFRSLFHIALGCRIAPLQKPVCGGPGVRPGKNVKVTTQGLLDGRGKGKSIGRAPEASLQDKEGA
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)
MLST
S
R
S
R
F
I
RNTNESGE
E
V
T
T
----
F
F
DYDYGA-PCHKF
D
V
K
Q
I
G
A
Q
L
L
P
P
L
Y
S
L
V
F
I
F
G
F
V
G
N
M
L
V
V
L
I
L
INCKKL
K
C
L
T
D
I
Y
L
L
N
L
A
I
S
D
L
L
F
-
L
I
-T--L
P
--
L
-WA-HSA--A-N--E--W
V
F
G
N
A
M
C
K
L
F
T
G
L
Y
H
I
G
Y
F
G
G
I
F
F
I
I
L
L
T
I
D
R
Y
L
A
I
V
H
A
V
F
A
LKA---R
T
V
T
F
G
V
V
T
S
V
I
T
W
L
V
A
V
F
A
SVP
G
I
I
-
F
----------
T
----------KCQK---ED
S
V
Y
V
C-----GPYF---P-R--G----W
N
N
F
H
T
I
M
R
N
I
L
G
-
L
V
L
P
L
L
I
M
V
I
C
Y
S
G
I
L
K
T
L
-----------------------------------------------
L
R
------------------------------------------C-----R---------------------------------------------------
N
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
---
K
K
R
--
H
--
R
A
V
------
R
V
----
I
F
T
I
M
I
V
Y
F
L
F
---WTP
Y
N
I
V
I
L
L
N
--
T
F
Q
--
E
F
FG------L-SNCE
S
T
S
Q
L
D
Q
A
T
Q
V
T
E
T
LG
M
T
H
C
C
I
N
P
I
I
Y
A
F
V
G
E
K
F
R
S
L
F
H
I
A
LG
C
R
IAPLQKPVCGGPGVRPGK
N
V
K
V
T
T
QGLLDGRGKGKSIGRAPEASLQDKEGA---------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
96.11
63%
-175
- C1 -
4MBS
7
CCR5_HUMAN (first)
B:
[21-366]
-----------------------------------
P
C
Q
K
I
N
V
K
Q
I
A
A
R
L
L
P
P
L
Y
S
L
V
F
I
F
G
F
V
G
N
M
L
V
I
L
I
L
I
N
Y
K
R
L
K
S
M
T
D
I
Y
L
L
N
L
A
I
S
D
L
F
F
-
L
L
-
T
--
V
P
--
F
-
W
A
-
H
Y
A
--
A
-
A
--
Q
--
W
D
F
G
N
T
M
C
Q
L
L
T
G
L
Y
F
I
G
F
F
S
G
I
F
F
I
I
L
L
T
I
D
R
Y
L
A
V
V
H
A
V
F
A
L
K
A
---
R
T
V
T
F
G
V
V
T
S
V
I
T
W
V
V
A
V
F
A
S
L
P
N
I
I
-
F
----------
T
----------
R
S
Q
K
---
E
G
L
H
Y
T
C
-----
S
S
H
F
---
P
-
Y
--
S
QYQF
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
KYTCTVCGYIYNPEDGDPDNGVNPGTDFKDIPDDWVCPLCGVGKDQFEEVE
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
95.78
63%
-175
- C1 -
4MBS
8
CCR5_HUMAN (first)
A:
[21-366]
-----------------------------------
P
C
Q
K
I
N
V
K
Q
I
A
A
R
L
L
P
P
L
Y
S
L
V
F
I
F
G
F
V
G
N
M
L
V
I
L
I
L
I
N
Y
K
R
L
K
S
M
T
D
I
Y
L
L
N
L
A
I
S
D
L
F
F
-
L
L
-
T
--
V
P
--
F
-
W
A
-
H
Y
A
--
A
-
A
--
Q
--
W
D
F
G
N
T
M
C
Q
L
L
T
G
L
Y
F
I
G
F
F
S
G
I
F
F
I
I
L
L
T
I
D
R
Y
L
A
V
V
H
A
V
F
A
L
K
A
---
R
T
V
T
F
G
V
V
T
S
V
I
T
W
V
V
A
V
F
A
S
L
P
N
I
I
-
F
----------
T
----------
R
S
Q
K
---
E
G
L
H
Y
T
C
-----
S
S
H
F
---
P
-
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------
27
HHSearch
79.17
33%
-156
- C1 -
3ODU
6
CXCR4_HUMAN (first)
A:
[37-496]
-----------------------------------
P
C
F
R
E
E
N
A
N
F
N
K
I
F
L
P
T
I
Y
S
I
I
F
L
T
G
I
V
G
N
G
L
V
I
L
V
M
G
Y
Q
K
K
L
R
S
M
T
D
K
Y
R
L
H
L
S
V
A
D
L
L
F
-
V
I
-
T
--
L
P
--
F
-
W
A
-
V
D
A
--
V
-
A
--
N
--
W
Y
F
G
N
F
L
C
K
A
V
H
V
I
Y
T
V
N
L
Y
S
S
V
W
I
L
A
F
I
S
L
D
R
Y
L
A
I
V
H
A
T
N
S
Q
R
P
---
R
K
L
L
A
E
K
V
V
Y
V
G
V
W
I
P
A
L
L
L
T
I
P
D
F
I
-
F
----------
A
----------
N
V
S
E
---
A
D
D
R
Y
I
C
-----
D
R
F
Y
---
P
-
N
--
D
L
---
W
V
V
V
F
Q
F
Q
H
I
M
V
G
-
L
I
L
P
G
I
V
I
L
S
C
Y
C
I
I
I
S
K
L
-----------------------------------------------
S
H
------------------------------------------
S
-----
G
---------------------------------------------------
S
N
I
F
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
TEG
Y
Y
T
I
GIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
IGRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKLK
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KRW
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYGSK
G
---
H
Q
K
--
R
--
K
A
L
------
K
T
----
T
V
I
L
I
L
A
F
F
A
C
---
W
L
P
Y
Y
I
G
I
S
I
D
--
S
F
I
--
L
L
E
I
------
I
K
Q
G
C
E
F
E
N
T
V
H
K
W
I
S
I
T
E
A
L
A
F
F
H
C
C
L
N
P
I
L
Y
A
F
L
G
A
K
F
K
T
S
A
Q
H
A
L
T
S
G
R
P
L
E
V
L
F
Q
----------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
74.42
28%
-178
- C1 -
4RWD
6
C562_ECOLX (first)
A:
[128-403]
----------------------------------------------------
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
RLLSG
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
74.02
31%
-165
- C1 -
4XT1
15
US28_HCMVA
A:
[23-315]
----------------------------
D
Y
D
E
D
A
T
P
C
V
F
T
D
V
L
N
Q
S
K
P
V
T
L
F
L
Y
G
V
V
F
L
F
G
S
I
G
N
F
L
V
I
F
T
I
T
W
R
R
R
I
Q
C
S
G
D
V
Y
F
I
N
L
A
A
A
D
L
L
F
-
V
C
-
T
--
L
P
--
L
-
W
M
-
Q
Y
L
--
L
-
D
---------
S
V
P
C
T
L
L
T
A
C
F
Y
V
A
M
F
A
S
L
C
F
I
T
E
I
A
L
D
R
Y
Y
A
I
V
Y
----
M
R
Y
---
R
P
V
K
Q
A
C
L
F
S
I
F
W
W
I
F
A
V
I
I
A
I
P
H
F
M
-
V
----------
V
----------
T
-
K
K
---
D
N
Q
C
M
T
D
-----
Y
D
Y
L
---
E
-
V
--
S
----
Y
P
I
I
L
N
V
E
L
M
L
G
A
-
F
V
I
P
L
S
V
I
S
Y
C
Y
Y
R
I
S
R
-
I
-----------------------------------------------
V
A
------------------------------------------
V
-----
S
---------------------------------------------------
Q
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
---
R
H
K
--
G
--
R
I
V
------
R
V
----
L
I
A
V
V
L
V
F
I
I
F
---
W
L
P
Y
H
L
T
L
F
V
D
--
T
L
K
--
L
L
K
W
------
I
S
S
S
C
E
F
E
R
S
L
K
R
A
L
I
L
T
E
S
L
A
F
C
H
C
C
L
N
P
L
L
Y
V
F
V
G
T
K
F
R
Q
E
L
H
C
L
L
A
E
F
R
-----------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
73.44
26%
-156
- C1 -
4N6H
23
C562_ECOLX (first)
A:
[89-406]
---------
V
K
E
A
Q
A
A
A
E
Q
L
K
T
T
R
N
A
Y
I
Q
K
Y
L
G
S
-
P
G
A
R
S
A
S
S
L
A
L
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
RLLSG
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
----------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
73.37
28%
-178
- C1 -
4RWA
2
C562_ECOLX (first)
A:
[128-403]
----------------------------------------------------
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
----------------------------------------------------------------------------------------------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
---------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
72.17
31%
-160
- C1 -
4XT3
2
US28_HCMVA
A:
[26-315]
-------------------------------
E
D
A
T
P
C
V
F
T
D
V
L
N
Q
S
K
P
V
T
L
F
L
Y
G
V
V
F
L
F
G
S
I
G
N
F
L
V
I
F
T
I
T
W
R
R
R
I
Q
C
S
G
D
V
Y
F
I
N
L
A
A
A
D
L
L
F
-
V
C
-
T
--
L
P
--
L
-
W
M
-
Q
Y
L
--
L
-
D
--
H
-----
A
S
V
P
C
T
L
L
T
A
C
F
Y
V
A
M
F
A
S
L
C
F
I
T
E
I
A
L
D
R
Y
Y
A
I
V
Y
----
M
R
Y
---
R
P
V
K
Q
A
C
L
F
S
I
F
W
W
I
F
A
V
I
I
A
I
P
H
F
M
-
V
----------
V
----------
T
-
K
K
---
D
N
Q
C
M
T
D
-----
Y
D
Y
L
---
E
-
V
--
S
----
Y
P
I
I
L
N
V
E
L
M
L
G
A
-
F
V
I
P
L
S
V
I
S
Y
C
Y
Y
R
I
S
R
-
I
-----------------------------------------------
V
A
------------------------------------------
V
-----
S
---------------------------------------------------
Q
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
---
R
H
K
--
G
--
R
I
V
------
R
V
----
L
I
A
V
V
L
V
F
I
I
F
---
W
L
P
Y
H
L
T
L
F
V
D
--
T
L
K
--
L
L
K
W
------
I
S
S
S
C
E
F
E
R
S
L
K
R
A
L
I
L
T
E
S
L
A
F
C
H
C
C
L
N
P
L
L
Y
V
F
V
G
T
K
F
R
Q
E
L
H
C
L
L
A
E
-------------------------------------------------------------------------------------------------------------------------------------------------------------
30
HHSearch
71.63
21%
-159
- C1 -
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
GVR
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------
28
HHSearch
71.21
24%
-144
- C1 -
2Z73
5
OPSD_TODPA
A:
[28-335]
----------------------------------------
Q
V
P
D
A
V
Y
Y
S
L
G
I
F
I
G
I
C
G
I
I
G
C
G
G
N
G
I
V
I
Y
L
F
T
K
T
K
S
L
Q
T
P
A
N
M
F
I
I
N
L
A
F
S
D
F
T
F
-
S
L
-
V
N
G
F
P
--
L
-
M
T
-
I
S
C
F
-
L
-
K
--
K
--
W
I
F
G
F
A
A
C
K
V
Y
G
F
I
G
G
I
F
G
F
M
S
I
M
T
M
A
M
I
S
I
D
R
Y
N
V
I
G
R
P
M
A
A
S
K
K
---
M
S
H
R
R
A
F
I
M
I
I
F
V
W
L
W
S
V
L
W
A
I
G
P
I
F
-
G
----------
W
----------
G
A
Y
T
L
--
E
G
V
L
C
N
C
-----
S
F
D
Y
---
I
-
S
RD
S
----
T
T
R
S
N
I
L
C
M
F
I
L
G
-
F
F
G
P
I
L
I
I
F
F
C
Y
F
N
I
V
M
S
V
-----------------------------------------------
S
N
------------------------------------------
H
-----
E
---------------------------------------------------
K
E
M
A
A
M
A
K
RLNAKE
L
R
K
A
Q
A
G
-----------------------------------------------------------------------------------------------------------------------------------------------
A
---
N
A
E
--
M
--
R
L
A
------
K
I
----
S
I
V
I
V
S
Q
F
L
L
S
---
W
S
P
Y
A
V
V
A
L
L
A
--
Q
F
G
--
P
L
E
---------------
W
V
T
P
Y
A
A
Q
L
P
V
M
F
A
K
A
S
A
I
H
N
P
M
I
Y
S
V
S
H
P
K
F
R
E
A
I
S
Q
T
F
P
W
V
L
T
C
C
Q
F
D
D
K
E
T
E
D
D
K
D
A
E
T
E
I
P
A
G
E
-----------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
70.04
28%
-169
- C1 -
5C1M
7
?
A:
[13-296]
------------------------------------------
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
-----
R
MLSGS----------------------------------------------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
69.63
30%
-175
- C1 -
4EA3
3
C562_ECOLX (first)
A:
[131-405]
----------------------------------------------------
L
Y
L
A
V
C
V
G
G
L
L
G
N
C
L
V
M
Y
V
I
L
R
H
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
T
L
V
-
L
L
-
T
--
L
P
--
F
-
Q
G
-
T
D
I
--
L
L
G
--
F
--
W
P
F
G
N
A
L
C
K
T
V
I
A
I
D
Y
Y
N
M
F
T
S
T
F
T
L
T
A
M
S
V
D
R
Y
V
A
I
C
H
P
----------
T
S
S
K
A
Q
A
V
N
V
A
I
W
A
L
A
S
V
V
G
V
P
V
A
I
-
M
----------
G
----------
S
A
Q
V
---
E
D
E
E
I
E
C
-----
L
V
E
I
---
P
-
T
--
P
QDY-
W
G
P
V
F
A
I
C
I
F
L
F
S
-
F
I
V
P
V
L
V
I
S
V
C
Y
S
L
M
I
R
R
L
-----------------------------------------------
R
G
------------------------------------------
V
-----
R
LLSGS----------------------------------------------
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
---
K
D
R
--
N
L
R
R
I
T
------
R
L
----
V
L
V
V
V
A
V
F
V
G
C
---
W
T
P
V
Q
V
F
V
L
A
Q
----------
G
------
L
-
G
V
Q
P
S
S
E
T
A
V
A
I
L
R
F
C
T
A
L
G
Y
V
N
S
C
L
N
P
I
L
Y
A
F
L
D
E
N
F
K
A
C
F
R
------------------------------------------------------------------------------------------------------------------------------------------------------------------
51
Fugue
69.08
25%
-120
- C1 -
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
SGSN
I
F
E
M
----------------------------------
L
-----
R
---------------------------------------------------
I
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
---
E
G
L
--
R
--
L
K
I
------
Y
K
D
TEG
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
RNTNGV
I
-
T
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
L
D
A
V
R
R
A
A
L
I
N
M
V
F
Q
M
G
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
-
K
R
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
T
G
T
WDAYGSK
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
20
PsiBlast_PDB
68.65
24%
-152
- C1 -
4LDE
3
ENLYS_BPT4
A:
[148-463]
----
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
----
T
F
R
T
G
T
W
D
-
A
Y
A
A
D
E
V
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
--
T
-
K
--
T
--
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
HWYRATH
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
---------------------------------------------------
Q
--------------------------------------------------------------------------------------------------------------------------------------------------------------------KFA
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------
46
Fugue
68.54
25%
-154
- C1 -
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
KT
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
YDTTS
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
47
Fugue
68.35
19%
-118
- C1 -
1F88
8
OPSD_BOVIN
A:
[1-348]
M
N
G
T
E
G
P
N
F
Y
V
P
F
S
N
K
T
G
V
V
R
S
----
P
F
E
A
-----
P
Q
Y
Y
L
A
E
P
W
Q
F
S
M
L
A
A
Y
M
F
L
L
I
-
M
L
G
F
P
I
N
F
L
T
L
Y
V
T
V
Q
H
K
K
L
R
T
P
L
N
Y
I
L
L
N
L
A
V
A
D
L
F
M
-
V
F
-
G
--
G
F
--
T
-
T
T
-
L
Y
T
--
S
-
L
--
H
GY
F
V
F
G
P
T
G
C
N
L
E
G
F
F
A
T
L
G
G
E
I
A
L
W
S
L
V
V
L
A
I
E
R
Y
V
V
V
C
K
P
M
S
N
F
R
F
---
G
-
E
N
H
A
I
M
G
V
A
F
T
W
V
M
A
L
A
C
A
A
P
P
L
V
G
W
----------
S
----------
R
Y
I
P
---
E
G
M
Q
C
S
C
-----
G
I
D
Y
YTP
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
AASA-
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
---------------------------------------------------------------------------------------------------------
33
HHSearch
67.97
23%
-162
- C1 -
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
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
66.82
23%
-156
- C1 -
4XNW
2
RUBR_CLOPA
A:
[53-380]
-------------------------------------------------
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
KNKTI
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
PEDGDPDNGVNPGTDFKDIPDDWVCPL
C
-----
G
---------------------------------------------------
V
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
---
K
D
Q
--
F
--
E
E
V
EE
P
L
R
R
K
S
----
I
Y
L
V
I
I
V
L
T
V
F
A
V
S
Y
I
P
F
H
V
M
K
T
M
N
--
L
R
A
R
L
D
F
Q
T
------
P
-
A
M
C
A
F
N
D
R
V
Y
A
T
Y
Q
V
T
R
G
L
A
S
L
N
S
C
V
N
P
I
L
Y
F
L
A
G
D
T
F
R
R
R
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
39
HHSearch
66.13
22%
-166
* C1 *
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
65.96
23%
-156
- C1 -
4XNV
15
P2RY1_HUMAN (first)
A:
[53-380]
-------------------------------------------------
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
KNKTI
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
PEDGDPDNGVNPGTDFKDIVCPL----
C
-----
G
---------------------------------------------------
V
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
---
K
D
Q
--
F
--
E
E
V
EE
P
L
R
R
K
S
----
I
Y
L
V
I
I
V
L
T
V
F
A
V
S
Y
I
P
F
H
V
M
K
T
M
N
--
L
R
A
R
L
D
F
Q
T
------
P
-
A
M
C
A
F
N
D
R
V
Y
A
T
Y
Q
V
T
R
G
L
A
S
L
N
S
C
V
N
P
I
L
Y
F
L
A
G
D
T
F
R
R
R
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