@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 : GP171_HUMAN: (2016-01-10 )
MTNSSFFCPVYKDLEPFTYFFYLVFLVGIIGSCFATWAFIQKNTNHRCVSIYLINLLTADFLLTLALPVKIVVDLGVAPWKLKIFHCQVTACLIYINMYLSIIFLAFVSIDRCLQLTHSCKIYRIQEPGFAKMISTVVWLMVLLIMVPNMMIPIKDIKEKSNVGCMEFKKEFGRNWHLLTNFICVAIFLNFSAIILISNCLVIRQLYRNKDNENYPNVKKALINILLVTTGYIICFVPYHIVRIPYTLSQTEVITDCSTRISLFKAKEATLLLAVSNLCFDPILYYHLSKAFRSKVTETFASPKETKAQKEKLRCENNA
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)
-----------------------MTNS
S
F
FC
P
V
Y
--------------------KDL
E
P
F
T
Y
F
---
F
Y
-
L
V
F
L
V
G
I
I
G
S
C
F
A
T
W
A
F
I
QKNTN
H
R
C
V
S
I
Y
L
I
N
L
L
T
A
D
F
L
L
T
L
-A--L
P
V
--
K
I
V
V
D-LGVA
P
W
K
L
K
I
F
H
C
Q
V
T
A
C
L
I
Y
I
N
M
Y
L
S
I
I
F
L
A
F
V
S
I
D
R
C
L
Q
L
THS
C
K
I
Y
R
I---QEP
G
F
A
K
M
-----
I
S
T
V
V
W
L
M
V
L
L
I
MVPN
M
M
I
P
I
K
D
I
K
--
E
KSNV
G
C
M
--
E
---
F
K
K
E
FGR-N
W
H
L
L
T
N
F
I
------
C
V
A
I
F
L
N
F
S
A
I
I
L
--
I
S
N
C
------
L
--------
V
-
I
R
Q
L
---------------
Y
--------RNKDN----------------------------------------------------------------------------------------------------------------------------------------------------------------E----------------------------------------------------------------------------------------------------------------------------------------------------------------NYP
N
V
K
K
---
A
L
I
N
I
L
L
VTT
G
Y
I
I
C
FVP
Y
H
I
-------
V
RIPYTLSQ
T
-
E
--
V
-I-TD--CS
T
R
I
--------------
S
L
F
KAK-E
A
T
L
L
L
A
V
S
N
LC
F
D
P
I
L
Y
Y
H
L
S
K
A
F
R
S
K
V
T
E
T
FASP
K
E
T
K
A
Q
--
K
E
K
LRCENNA------------------------------------------------------------------------------------------------------------------------------------------
40
Fugue
88.11
26%
-147
- C2 -
4XNV
15
P2RY1_HUMAN (first)
A:
[38-382]
---------------------------
S
F
K
C
A
L
T
--------------------
K
T
G
F
Q
F
Y
Y
L
P
A
V
Y
I
-
L
V
F
I
I
G
F
L
G
N
S
V
A
I
W
M
F
V
F
H
M
K
P
W
S
G
I
S
V
Y
M
F
N
L
A
L
A
D
F
L
Y
V
L
-
T
--
L
P
A
--
L
I
F
Y
Y
-
F
N
K
T
D
W
I
F
G
D
A
M
C
K
L
Q
R
F
I
F
H
V
N
L
Y
G
S
I
L
F
L
T
C
I
S
A
H
R
Y
S
G
V
V
Y
P
K
S
L
G
R
L
---
K
K
K
N
-
A
I
C
-----
I
S
V
L
V
W
L
I
V
V
V
A
I
S
P
I
L
F
Y
S
G
T
G
V
R
--
K
N
K
T
I
T
C
Y
--
D
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
FQ
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
83.08
22%
-148
- C2 -
4XNV
15
P2RY1_HUMAN (first)
A:
[38-382]
---------------------------
S
F
K
C
A
L
T
--------------------
K
T
G
F
Q
F
Y
Y
L
P
A
V
Y
I
-
L
V
F
I
I
G
F
L
G
N
S
V
A
I
W
M
F
V
F
H
M
K
P
W
S
G
I
S
V
Y
M
F
N
L
A
L
A
D
F
L
Y
V
L
-
T
--
L
P
A
--
L
I
F
Y
Y
-
F
N
K
T
D
W
I
F
G
D
A
M
C
K
L
Q
R
F
I
F
H
V
N
L
Y
G
S
I
L
F
L
T
C
I
S
A
H
R
-----
Y
S
G
V
V
Y
P
----
K
S
L
G
R
L
K
K
K
N
A
I
C
I
S
V
L
V
W
L
I
V
V
V
A
I
S
P
I
L
F
Y
S
G
T
G
V
R
--
K
N
K
T
I
T
C
Y
--
D
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
P
E
D
G
----------------------------------------------------------------------------------------------------------------------------------------------------------------
D
PDNGVNPGTDFKDIVCPLCGVGKDQ
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
AM
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
82.25
24%
-159
- C2 -
4RWA
2
C562_ECOLX (first)
A:
[126-399]
------------------------------------------------------------
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
81.95
24%
-151
- C2 -
4RWD
6
C562_ECOLX (first)
A:
[126-399]
------------------------------------------------------------
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
81.84
22%
-139
- C2 -
4XNW
2
RUBR_CLOPA
A:
[37-382]
--------------------------
S
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
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
P
E
D
G
----------------------------------------------------------------------------------------------------------------------------------------------------------------
D
PDNGVNPGTDFKDIPDDWVCPLCGVGKDQ
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
AM
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
79.58
24%
-152
- C2 -
4N6H
22
OPRD_HUMAN
A:
[129-402]
------------------------------------------------------------
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
----------------------------------------------------------------------------------------------------------------------------------------------------------
21
HHSearch
79.30
22%
-142
- C2 -
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
TGTWDAYG
S
----------------------------------------------------------------------------------------------------------------------------------------------------------------
K
G
H
Q
K
R
K
---
A
L
K
T
T
V
I
L
I
L
A
F
F
A
C
W
L
P
Y
Y
I
-------
G
I
S
I
D
S
F
I
L
L
-
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
--------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
76.63
24%
-155
- C2 -
5C1M
7
?
A:
[24-293]
------------------------------------------------------------------
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
M
L
---------------
S
--------
G
S
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
76.52
25%
-164
- C2 -
4XT3
2
US28_HCMVA
A:
[33-316]
-----------------------------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
75.96
25%
-162
- C2 -
4XT1
15
US28_HCMVA
A:
[33-318]
-----------------------------
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------
41
Fugue
73.54
15%
-103
- C2 -
1F88
8
OPSD_BOVIN
A:
[1-348]
MN
G
T
E
G
PNFYVPFSNKTGVVRSP
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
DYY
T
P
H
E
E
T
N
-
N
E
S
F
V
I
Y
M
F
------
V
V
H
F
I
I
P
L
I
V
I
F
F
--
C
Y
G
Q
------
L
--------
V
-
F
T
V
K
---------------
E
--------
A
A
A
S
A
----------------------------------------------------------------------------------------------------------------------------------------------------------------
T
----------------------------------------------------------------------------------------------------------------------------------------------------------------
T
Q
K
A
E
K
E
---
V
T
R
M
V
I
I
M
V
I
A
F
L
I
C
W
L
P
Y
A
G
-------
V
A
F
Y
I
F
T
H
Q
G
-
S
--
D
-
F
-
G
P
--
I
F
M
T
I
--------------
P
A
F
F
A
K
-
T
S
A
V
--------
Y
N
P
V
I
Y
I
M
M
N
K
Q
F
R
N
C
M
V
T
T
L
C
C
G
K
N
P
S
T
T
--
V
S
K
T
E
T
S
Q
V
A
P
A----------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
71.83
23%
-139
- C2 -
4EA3
3
C562_ECOLX (first)
A:
[139-402]
--------------------------------------------------------------------------
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
GVRLLSGS
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
71.35
23%
-114
- C2 -
2LNL
-
CXCR1_HUMAN
A:
[34-322]
-------------------------------
T
E
T
--------------------
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
-
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------
44
Fugue
71.32
20%
-136
- 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
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
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
RW
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
25
HHSearch
71.25
15%
-142
- C2 -
3RZE
5
ENLYS_BPT4 (first)
A:
[9-443]
---------------------------------------------------------
M
P
L
V
V
V
---
L
S
-
T
I
C
L
V
T
V
G
L
N
L
L
V
L
Y
A
V
R
S
E
R
K
L
H
T
V
G
N
L
Y
I
V
S
L
S
V
A
D
L
I
V
G
A
V
V
--
M
P
M
--
N
I
L
Y
L
-
L
M
S
-
K
W
S
L
G
R
P
L
C
L
F
W
L
S
M
D
Y
V
A
S
T
A
S
I
F
S
V
F
I
L
C
I
D
R
Y
R
S
V
Q
Q
P
L
R
Y
L
K
Y
---
R
T
K
T
R
A
S
A
-----
T
I
L
G
A
W
F
L
S
F
L
W
V
I
P
I
L
G
W
N
H
-------
R
R
E
D
K
C
E
--
T
---
D
F
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
TGTWDAYL--
H
M
N
R
E
R
K
---
A
A
K
Q
L
G
F
I
M
A
A
F
I
L
C
W
I
P
Y
F
I
-------
F
F
M
V
I
A
F
C
K
N
-
C
-----------------------------
C
N
E
H
L
H
-
M
F
T
I
W
L
G
Y
I
N
S
T
L
N
P
L
I
Y
P
L
C
N
E
N
F
K
K
T
F
K
R
I
L
H
I
-------------------------------------------------------------------------------------------------------------------------------------------------------------
42
Fugue
70.74
15%
-105
- C2 -
1U19
15
OPSD_BOVIN
A:
[4-349]
--------------------MN
G
T
E
G
P
N
F
Y
V
P
F
S
NKTGVVRSPFEAPQYYLAE
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
EAAAQ---
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
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
L
G
D
--
D
E
A
S
T
T
V
S
K
T
ETSQVAPA----------------------------------------------------------------------------------------------------------------------------------
23
HHSearch
70.64
16%
-135
- C2 -
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
VR
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
TGTWDAY--
P
----------------------------------------------------------------------------------------------------------------------------------------------------------------
P
P
S
R
E
K
K
---
V
T
R
T
I
L
A
I
L
L
A
F
I
I
T
W
A
P
Y
N
V
-------
M
V
L
I
N
T
F
C
A
P
-
C
-----------------------------
I
P
N
T
V
W
-
T
I
G
Y
W
L
C
Y
I
N
S
T
I
N
P
A
C
Y
A
L
C
N
A
T
F
K
K
T
F
K
H
L
L
M
--------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
70.31
23%
-126
- C2 -
2LNL
-
CXCR1_HUMAN
A:
[46-321]
------------------------------------------------------------------
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
PHTFGF
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------
32
HHSearch
69.80
16%
-151
* C2 *
3PBL
2
DRD3_HUMAN (first)
A:
[41-472]
-----------------------------------------------------------
Y
A
L
S
---
Y
C
-
A
L
I
L
A
I
V
F
G
N
G
L
V
C
M
A
V
L
K
E
R
A
L
Q
T
T
T
N
Y
L
V
V
S
L
A
V
A
D
L
L
V
A
T
L
V
--
M
P
W
--
V
V
Y
L
E
-
V
T
G
G
V
W
N
F
S
R
I
C
C
D
V
F
V
T
L
D
V
M
M
C
T
A
S
I
W
N
L
C
A
I
S
I
D
R
Y
T
A
V
V
M
P
V
H
Y
Q
H
G
T
G
Q
S
S
C
R
R
V
A
L
-----
M
I
T
A
V
W
V
L
A
F
A
V
S
C
P
L
L
F
G
F
N
T
-----
T
G
D
P
T
V
C
S
--
I
---
S
N
P
--------
D
F
V
I
Y
S
------
S
V
V
S
F
Y
L
P
F
G
V
T
V
--
L
V
Y
A
------
R
--------
I
-
Y
V
V
L
---------------
K
--------
Q
R
R
R
K
----------------------------------------------------------------------------------------------------------------------------------------------------------------
N
I
F
E
M
L
R
I
D
E
GLRL
K
I
Y
K
D
TEG
Y
Y
T
I
G
IGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
T
GTWDAYG
V
P
L
R
E
K
K
---
A
T
Q
M
V
A
I
V
L
G
A
F
I
V
C
W
L
P
F
F
L
-------
T
H
V
L
N
T
H
C
Q
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------
26
HHSearch
69.00
15%
-123
- C2 -
2Z73
5
OPSD_TODPA
A:
[33-335]
-------------------------------------------------------
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
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
------------------------------------------------------------------------------------------------------------------------------------------