@TOME V2.3
(Nov 2016)
Ref.
-
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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 : CX3C1_HUMAN: (2016-01-09 )
MDQFPESVTENFEYDDLAEACYIGDIVVFGTVFLSIFYSVIFAIGLVGNLLVVFALTNSKKPKSVTDIYLLNLALSDLLFVATLPFWTHYLINEKGLHNAMCKFTTAFFFIGFFGSIFFITVISIDRYLAIVLAANSMNNRTVQHGVTISLGVWAAAILVAAPQFMFTKQKENECLGDYPEVLQEIWPVLRNVETNFLGFLLPLLIMSYCYFRIIQTLFSCKNHKKAKAIKLILLVVIVFFLFWTPYNVMIFLETLKLYDFFPSCDMRKDLRLALSVTETVAFSHCCLNPLIYAFAGEKFRRYLYHLYGKCLAVLCGRSVHVDFSSSESQRSRHGSVLSSNFTYHTSDGDALLLL
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...----------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MDQF
P
E
S
V
T
ENF
E
Y
D
D
L
A
E
A
C
YI
G
D
I
V
V
F
G
-
T
V
F
L
S
I
F
Y
S
V
I
F
A
I
G
L
V
G
N
L
L
V
V
F
A
LTNSKKPKSV
T
D
I
Y
L
L
N
L
A
L
S
D
L
L
F
V
A
-
T
--
L
P
F
W
-
T
-
H
Y
L
--INEKG--
L
H
N
A
M
C
K
F
T
T
A
F
F
F
I
G
F
F
G
S
I
F
F
I
T
V
ISID
R
Y
L
A
I
V
L
AANSMNN---
R
T
VQH
G
V
T
-
I
S
L
G
V
W
A
A
A
I
L
VAA
P
-
Q
F
M
F
--T-----K-Q-K-------E--N---E----CLG
D
Y
P
E
V
L
---
Q
E
I
W
P
V
L
R-----NV
E
T
N
F
L
G
F
L
L
P
L
L
I
M
S
Y
C
Y
F
R
I
I
Q
T
L
------
F
SC----------------------------------------------K--------------------------------------------------------------------------------------------------------------------------------------------------------------------NH----------------------------------------------------K
K
A
K
A
I
K
L
I
L
L
V
V
I
V
F
F
L
F
----WTPY
N
V
M
I
F
L
E
T
L
K
L
Y
DF-F--PS-CD
M
R
K
D
--
L
R
L
------
A
L
S
V
T
E
T
V
A
F
S
H
C
C
L
N
P
L
I
Y
A
F
A
G
----
E
K
F
R
R
Y
L
Y
H
L
Y
G
K
C
L
A
V
L
CG
R
----
S
V
H
V
D
FSSS
E
S
Q
R
S
RHGSVLSSN
F
T
----
Y
HTSDG
D
A
L
L
LL----------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
94.25
35%
-159
- C2 -
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
LHY
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
TCTVCGYIYNPEDGDPDNGVNPGTDFKDIPDDWVCPLCGVGKDQFEEVEEEK
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
94.21
35%
-159
- C2 -
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
EK
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------
29
HHSearch
91.17
35%
-147
- C2 -
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
DD---
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
SN
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
--------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
89.40
38%
-162
- C2 -
4XT1
15
US28_HCMVA
A:
[23-318]
------------
D
Y
D
E
D
A
T
P
C
V
F
T
D
V
L
N
Q
S
-
K
P
V
T
L
F
L
Y
G
V
V
F
L
F
G
S
I
G
N
F
L
V
I
F
T
I
T
W
R
R
R
I
Q
C
S
G
D
V
Y
F
I
N
L
A
A
A
D
L
L
F
V
C
-
T
--
L
P
L
W
-
M
-
Q
Y
L
--
L
D
-------
S
V
P
C
T
L
L
T
A
C
F
Y
V
A
M
F
A
S
L
C
F
I
T
E
I
A
L
D
R
Y
Y
A
I
V
Y
----
M
R
Y
---
R
P
V
K
Q
A
C
L
-
F
S
I
F
W
W
I
F
A
V
I
I
A
I
P
-
H
F
M
V
--
V
-----
T
-
K
-
K
-------
D
--
N
---
Q
----
C
M
T
D
Y
-
D
Y
L
---
E
V
S
Y
P
I
I
L
-----
N
V
E
L
M
L
G
A
F
V
I
P
L
S
V
I
S
Y
C
Y
Y
R
I
S
R
I
V
------
A
V
S
----------------------------------------------
Q
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
R
----------------------------------------------------
H
K
G
R
I
V
R
V
L
I
A
V
V
L
V
F
I
I
F
----
W
L
P
Y
H
L
T
L
F
V
D
T
L
K
L
L
K
W
-
I
S
-
S
S
-
C
E
F
E
R
S
--
L
K
R
------
A
L
I
L
T
E
S
L
A
F
C
H
C
C
L
N
P
L
L
Y
V
F
V
G
----
T
K
F
R
Q
E
L
H
C
L
L
A
E
F
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
89.18
38%
-157
- C2 -
4XT3
2
US28_HCMVA
A:
[26-316]
---------------
E
D
A
T
P
C
V
F
T
D
V
L
N
Q
S
-
K
P
V
T
L
F
L
Y
G
V
V
F
L
F
G
S
I
G
N
F
L
V
I
F
T
I
T
W
R
R
R
I
Q
C
S
G
D
V
Y
F
I
N
L
A
A
A
D
L
L
F
V
C
-
T
--
L
P
L
W
-
M
-
Q
Y
L
--
L
D
H
-----
A
S
V
P
C
T
L
L
T
A
C
F
Y
V
A
M
F
A
S
L
C
F
I
T
E
I
A
L
D
R
Y
Y
A
I
V
Y
----
M
R
Y
---
R
P
V
K
Q
A
C
L
-
F
S
I
F
W
W
I
F
A
V
I
I
A
I
P
-
H
F
M
V
--
V
-----
T
-
K
-
K
-------
D
--
N
---
Q
----
C
M
T
D
Y
-
D
Y
L
---
E
V
S
Y
P
I
I
L
-----
N
V
E
L
M
L
G
A
F
V
I
P
L
S
V
I
S
Y
C
Y
Y
R
I
S
R
I
V
------
A
V
S
----------------------------------------------
Q
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
R
----------------------------------------------------
H
K
G
R
I
V
R
V
L
I
A
V
V
L
V
F
I
I
F
----
W
L
P
Y
H
L
T
L
F
V
D
T
L
K
L
L
K
W
-
I
S
-
S
S
-
C
E
F
E
R
S
--
L
K
R
------
A
L
I
L
T
E
S
L
A
F
C
H
C
C
L
N
P
L
L
Y
V
F
V
G
----
T
K
F
R
Q
E
L
H
C
L
L
A
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
34
HHSearch
81.44
25%
-139
- C2 -
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
----RR-----
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
81.33
27%
-153
- C2 -
4RWD
7
C562_ECOLX (first)
A:
[123-406]
--------------------------------
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
RLLSGS
K
E
--------------------------------------
K
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
R
----------------------------------------------------
S
L
R
R
I
T
R
M
V
L
V
V
V
G
A
F
V
V
C
----
W
A
P
I
H
I
F
V
I
V
W
T
L
V
D
I
D
-----------
R
R
D
P
L
V
V
A
------
A
L
H
L
C
I
A
L
G
Y
A
N
S
S
L
N
P
V
L
Y
A
F
L
D
----
E
N
F
K
R
C
F
R
Q
L
C
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------
30
HHSearch
81.07
22%
-150
- C2 -
3UON
4
ACM2_HUMAN (first)
A:
[21-457]
----------------------------
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
GVRTVE
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
80.77
27%
-153
- C2 -
4RWA
2
C562_ECOLX (first)
A:
[123-406]
--------------------------------
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
-----------GS
K
E
------------------------------------------
K
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
R
----------------------------------------------------
S
L
R
R
I
T
R
M
V
L
V
V
V
G
A
F
V
V
C
----
W
A
P
I
H
I
F
V
I
V
W
T
L
V
D
I
D
-----------
R
R
D
P
L
V
V
A
------
A
L
H
L
C
I
A
L
G
Y
A
N
S
S
L
N
P
V
L
Y
A
F
L
D
----
E
N
F
K
R
C
F
R
Q
L
C
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
80.42
27%
-156
- C2 -
4N6H
23
C562_ECOLX (first)
A:
[126-411]
--------------------------------
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
GAVV
C
M
L
Q
F
P
S
P
----
S
W
Y
W
D
T
V
T
-----
K
I
C
V
F
L
F
A
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
L
L
R
L
------
R
S
V
RLLSGS
K
E
--------------------------------------
K
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
R
----------------------------------------------------
S
L
R
R
I
T
R
M
V
L
V
V
V
G
A
F
V
V
C
----
W
A
P
I
H
I
F
V
I
V
W
T
L
V
D
I
D
-----------
R
R
D
P
L
V
V
A
------
A
L
H
L
C
I
A
L
G
Y
A
N
S
S
L
N
P
V
L
Y
A
F
L
D
----
E
N
F
K
R
C
F
R
Q
L
C
R
K
P
C
G
------------------------------------------------------------------------------------------------------------------------------------------------------------------
32
HHSearch
80.20
22%
-139
- C2 -
2RH1
16
ADRB2_HUMAN (first)
A:
[40-477]
-------------------------------
V
V
G
M
G
I
V
M
S
L
I
V
L
A
I
V
F
G
N
V
L
V
I
T
A
I
A
K
F
E
R
L
Q
T
V
T
N
Y
F
I
T
S
L
A
C
A
D
L
V
M
G
L
A
V
--
V
P
F
G
-
A
-
A
H
I
L
-
M
K
M
W
T
--
F
G
N
F
W
C
E
F
W
T
S
I
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
V
D
R
Y
F
A
I
T
S
P
F
K
Y
Q
S
L
---
L
T
K
N
K
A
R
V
-
I
I
L
M
V
W
I
V
S
G
L
T
S
F
L
-
P
I
Q
M
H-
W
-----
Y
-
R
-
A
TH
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
46
Fugue
78.78
29%
-144
- C2 -
4XNV
15
P2RY1_HUMAN (first)
A:
[38-382]
--
S
F
K
C
A
L
T
K
T
G
----------------
F
Q
-
F
Y
Y
L
P
A
V
Y
I
L
V
F
I
I
G
F
L
G
N
S
V
A
I
W
M
F
V
F
H
M
K
P
W
S
G
I
S
V
Y
M
F
N
L
A
L
A
D
F
L
Y
V
L
-
T
--
L
P
A
L
-
I
-
F
Y
Y
--
F
N
K
T
D
WI
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
TP
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
77.96
29%
-155
- C2 -
4EA3
3
C562_ECOLX (first)
A:
[121-405]
---------------------------
P
L
G
L
K
V
T
I
V
G
L
Y
L
A
V
C
V
G
G
L
L
G
N
C
L
V
M
Y
V
I
L
R
H
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
T
L
V
L
L
-
T
--
L
P
F
Q
G
T
-
D
I
L
--
L
G
F
W
P
--
F
G
N
A
L
C
K
T
V
I
A
I
D
Y
Y
N
M
F
T
S
T
F
T
L
T
A
M
S
V
D
R
Y
V
A
I
C
H
P
----------
T
S
S
K
A
Q
A
-
V
N
V
A
I
W
A
L
A
S
V
V
G
V
P
V
A
I
M
G
--
S
-----
A
-
Q
-
V
-------
E
--
D
E
E
I
E
----
C
L
V
E
I
P
-
T
P
---
Q
D
Y
W
G
P
V
F
-----
A
I
C
I
F
L
F
S
F
I
V
P
V
L
V
I
S
V
C
Y
S
L
M
I
R
R
L
------
R
G
V
----------------------------------------------
R
LLSG----------------------------------------------------------------------------------------------------------------------------------------------------------------
S
R
----------------------------------------------------
E
K
D
R
N
L
R
R
I
T
R
L
V
L
V
V
V
A
V
F
V
G
C
W
T
P
V
Q
V
F
V
L
A
Q
G
L
G
V
Q
------
P
S
-
S
E
T
A
V
A
--
I
---------
L
R
F
C
T
A
L
G
Y
V
N
S
C
L
N
P
I
L
Y
A
F
L
D
----
E
N
F
K
A
C
F
R
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------
39
HHSearch
77.58
21%
-139
- C2 -
3PBL
2
DRD3_HUMAN (first)
A:
[41-472]
----------------------------------
Y
A
L
S
Y
C
A
L
I
L
A
I
V
F
G
N
G
L
V
C
M
A
V
L
K
E
R
A
L
Q
T
T
T
N
Y
L
V
V
S
L
A
V
A
D
L
L
V
A
T
L
V
--
M
P
W
V
-
V
-
Y
L
E
V
T
G
G
V
W
N
--
F
S
R
I
C
C
D
V
F
V
T
L
D
V
M
M
C
T
A
S
I
W
N
L
C
A
I
S
I
D
R
Y
T
A
V
V
M
P
V
H
Y
Q
H
G
T
G
Q
S
S
C
R
R
V
A
L
-
M
I
T
A
V
W
V
L
A
F
A
V
S
C
P
-
L
L
F
G
--
F
-----
N
-
T
-
T
GD-----
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
77.04
25%
-140
- C2 -
4XNW
2
RUBR_CLOPA
A:
[52-382]
---------------------------------
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
WI
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
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
40
HHSearch
76.63
25%
-132
- C2 -
2Z73
5
OPSD_TODPA
A:
[31-334]
---------------------------
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
VL
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
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
---------------------------------------------------------------------------------------------------------------------------------------
33
HHSearch
75.81
26%
-140
* C2 *
2KS9
1
NK1R_HUMAN
A:
[33-325]
--------------------------------
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
TMPS---
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
EIPGDSSDRYH
E
----------------------------------
Q
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
S
----------------------------------------------------
A
K
R
K
V
V
K
M
M
I
V
V
V
C
T
F
A
I
C
----
W
L
P
F
H
I
F
F
L
L
P
Y
I
N
P
D
L
Y
---------
L
K
K
F
--
I
Q
Q
------
V
Y
L
A
I
M
W
L
A
M
S
S
T
M
Y
N
P
I
I
Y
C
C
L
N
----
D
R
F
R
L
G
F
K
H
A
F
R
C
C
P
F
I
S
A
G
D
----
Y
E
G
L
E
M
K
S
T
R
Y
L
Q
T
Q
G
S
V
Y
K
V
S
R
L
E
----
T
T
I
S
T
V
V
G
A
-------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
75.70
25%
-146
- C2 -
4XNV
15
P2RY1_HUMAN (first)
A:
[52-382]
---------------------------------
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
WI
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
50
Fugue
74.39
23%
-109
- C2 -
3ODU
6
CXCR4_HUMAN (first)
A:
[37-502]
-------------------
P
C
F
R
E
E
N
A
N
F
N
-
K
I
F
L
P
T
I
Y
S
I
I
F
L
T
G
I
V
G
N
G
L
V
I
L
V
M
G
Y
Q
K
K
L
R
S
M
T
D
K
Y
R
L
H
L
S
V
A
D
L
L
F
V
I
-
T
--
L
P
F
W
-
A
-
V
D
A
--
V
A
N
W
Y
--
F
G
N
F
L
C
K
A
V
H
V
I
Y
T
V
N
L
Y
S
S
V
W
I
L
A
F
I
S
L
D
R
Y
L
A
I
V
H
A
T
N
S
Q
R
P
---
R
K
L
L
A
E
K
V
-
V
Y
V
G
V
W
I
P
A
L
L
L
T
I
P
-
D
F
I
F
--
A
-----
N
-
V
-
S
-------
E
--
A
---
D
----
D
R
Y
I
C
D
R
F
Y
P--
N
D
L
W
V
V
V
F
-----
Q
F
Q
H
I
M
V
G
L
I
L
P
G
I
V
I
L
S
C
Y
C
I
I
I
S
K
L
------
S
H
-----------------------------------------------
S
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
S
----------------------------------------------------
N
I
F
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
----
T
E
G
Y
Y
T
I
G
I
G
H
L
L
T
K
S
P
S
-
L
--
N
A
-
A
K
S
E
L
D
--
K
A
I
GRNTNG
V
I
T
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
L
D
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
K
R
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYGSK
G
H
Q
K
R
K
A
L
K
T
T
V
I
L
I
L
A
F
F
A
C
W
L
P
Y
Y
I
G
I
S
I
D
S
F
I
L
L
EI
I
K
Q
G
C
E
F
E
N
T
V
H
K
W
I
S
I
T
E
A
L
A
F
FHCC
L
N
P
I
L
Y
AFLGAKFKTS
A
Q
H
A
L
TSGRPLEVLFQ
4
PsiBlast_PDB
73.64
36%
-119
- C2 -
2LNL
-
CXCR1_HUMAN
A:
[44-313]
------------------------------------
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
GND
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
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