@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 : GP132_HUMAN: (2016-01-10 )
MCPMLLKNGYNGNATPVTTTAPWASLGLSAKTCNNVSFEESRIVLVVVYSAVCTLGVPANCLTAWLALLQVLQGNVLAVYLLCLALCELLYTGTLPLWVIYIRNQHRWTLGLLACKVTAYIFFCNIYVSILFLCCISCDRFVAVVYALESRGRRRRRTAILISACIFILVGIVHYPVFQTEDKETCFDMLQMDSRIAGYYYARFTVGFAIPLSIIAFTNHRIFRSIKQSMGLSAAQKAKVKHSAIAVVVIFLVCFAPYHLVLLVKAAAFSYYRGDRNAMCGLEERLYTASVVFLCLSTVNGVADPIIYVLATDHSRQEVSRIHKGWKEWSMKTDVTRLTHSRDTEELQSPVALADHYTFSRPVHPPGSPCPAKRLIEESC
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.......380
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MC
P
M
LLKNGY--NGNA
T
P
V
TTTA
P
W
A
SL-GLSAKTCNNVSFEES
R
I
V
L
V
V
V
Y
S
A
V
CTLGV
P
A
N
C
L
T
----
A
W
L
A
L
L
Q
V
LQG
N
V
L
A
V
Y
L
L
C
L
A
L
C
E
L
L
YTGT--
L
P
L
W
-
V
I
Y
I
RNQH
R
W
T
L
G
L
L
A
C
K
V
T
A
Y
I
F
F
C
N
I
Y
V
S
I
L
F
L
C
C
I
S
C
D
R
F
V
A
V
V
Y
A
L
E
SRGRR---R
R
R
------
T
A
I
L
-
I
S
A
C
I
F
-
I
L
V
G
I
V
H-YPV-----F-------Q-------T---E
D
-------
K
---
E
----
T
C
-
F
-
D
M
L
Q
-----
M
D
---
S
---R--I--
A
G
Y
Y
-----
Y
A
--
R
F
T
V--G--FA
I
P
L
S
I
I
A
FTN
H
R
I
F
R
S
I
K
Q
SM-----------------------------------------G---------------------------------------------L-----------------------------------------------------------------------------------------------------------------------------------------------------------------
S
A
--
A
Q
K
A-----K
V
K
H
S
--------
A
I
--
A
V
V
V
I
F
L
V
C
F
A
P
Y
H
L
V
L
L
V
K
A
A
A
F
S
YYRGD
R
N
--
A
M
C
G
L
E
E
R
L
Y
T
A
-
S
V
V
F
L
C
--
L
S
T
VNGVAD
P
I
I
Y
V
L
ATDH
S
R
Q
-
E
V
S
R
I
H
K
G
W
K
EWSMKT
D
V
T
R
LTHSR
D
T
E
E
L
QSP
V
A
LADHYTFSRPVHPPGSPC
P
A
K
R
L
I
EESC
42
Fugue
89.30
29%
-147
- C4 -
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
--------------------------------------------------------------
1
PsiBlast_PDB
86.70
26%
-155
- C4 -
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
PEDGDPDNGVNPGTDFKDIVCPLC----
G
---------------------------------------------
V
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
G
K
--
D
Q
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
--------------------------------------------------------------
2
PsiBlast_PDB
83.19
26%
-158
- C4 -
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
PEDGDPDNGVNPGTDFKDIPDDWVCPLC
G
---------------------------------------------
V
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
G
K
--
D
Q
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
--------------------------------------------------------------
4
PsiBlast_PDB
77.08
25%
-141
- C4 -
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
-------------------------------------------------------
3
PsiBlast_PDB
76.81
25%
-148
- C4 -
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
-----------------------------------------------------
44
Fugue
76.54
18%
-121
- C4 -
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
GM
Q
---
C
----
S
C
-
G
I
D
Y
Y
T
-----
P
H
---
E
---
E
TN
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
------------------------------------
23
HHSearch
75.52
21%
-148
- C4 -
3ODU
6
CXCR4_HUMAN (first)
A:
[43-498]
---------------------------------------
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
TGTWDAYGS
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
----------------------------------------------
35
HHSearch
74.21
20%
-146
* C4 *
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
-------------------------------------------------------
32
HHSearch
73.90
18%
-146
- C4 -
3EML
13
ENLYS_BPT4
A:
[21-472]
--------------------------------------------
S
S
V
Y
I
T
V
E
L
A
I
A
V
L
A
I
L
G
N
V
L
V
----
C
W
A
V
W
L
N
S
N
L
Q
N
V
T
N
Y
F
V
V
S
L
A
A
A
D
I
A
V
G
V
L
A
-
I
P
F
A
-
I
T
I
S
---
T
G
F
C
A
A
C
H
G
C
L
F
I
A
C
F
V
L
V
L
T
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
R
I
P
L
R
Y
N
G
L
V
---
T
G
T
R
A
K
G
I
I
A
I
C
W
-
V
L
S
F
A
I
-
G
L
T
P
M
L
G
-
W
N
N
-----
C
-------
G
-------
Q
------------
S
---
Q
----
G
C
-
G
-
E
G
Q
V
ACLFE
D
V
---
V
---
P
--
M
--
N
Y
M
V
-----
Y
F
--
N
F
F
A
--
C
--
V
L
V
P
L
L
L
M
L
G
V
Y
L
R
I
F
L
A
A
R
R
Q
L
-----------------------------------------
N
---------------------------------------------
I
F
E
M
L
R
I
D
E
GLRL
K
I
Y
K
D
TEGYYTIGIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTW
D
A
Y
R
S
-
T
L
--
Q
K
E
V
-----
H
A
A
K
S
--------
L
A
--
I
I
V
G
L
F
A
L
C
W
L
P
L
H
I
I
N
C
F
T
F
F
C
P
D
C
S
-------------
H
A
P
L
W
L
-
M
Y
L
A
I
V
--
L
S
H
T
N
S
V
V
N
P
F
I
Y
A
Y
R
I
R
E
F
R
Q
-
T
F
R
K
I
I
R
S
H
V
L
R
Q
--------------------------------------------------
25
HHSearch
73.28
18%
-145
- C4 -
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
-------
G
VRT
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
TGTWDAYP--
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
--------------------------------------------------------
15
PsiBlast_PDB
72.83
23%
-162
- C4 -
4EA3
3
C562_ECOLX (first)
A:
[125-401]
--------------------------------------------
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
-----------------------------------------
L
---------------------------------------------
L
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
S
G
--
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
------------------------------------------------------------
34
HHSearch
72.52
27%
-130
- C4 -
2LNL
-
CXCR1_HUMAN
A:
[36-322]
-----------------------------------------
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
AK-
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
-----------------------------------------------------
28
HHSearch
70.00
18%
-140
- C4 -
2RH1
16
ADRB2_HUMAN (first)
A:
[39-477]
-------------------------------------------
W
V
V
G
M
G
I
V
M
S
L
I
V
L
A
I
V
F
G
N
V
L
V
----
I
T
A
I
A
K
F
E
R
L
Q
T
V
T
N
Y
F
I
T
S
L
A
C
A
D
L
V
M
G
L
A
V-
V
P
F
G
-
A
A
H
I
-
L
M
K
M
W
T
F
G
N
F
W
C
E
F
W
T
S
I
D
V
L
C
V
T
A
S
I
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
CC---
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
TGTWDAYK--
F
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
-------------------------------------------------------
26
HHSearch
69.91
18%
-131
- C4 -
2Z73
5
OPSD_TODPA
A:
[30-336]
----------------------------------------
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
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
-----------------------------
30
HHSearch
69.33
18%
-138
- C4 -
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
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
-------------------------------------------------------
43
Fugue
68.85
18%
-109
- C4 -
1U19
15
OPSD_BOVIN
A:
[4-349]
M
N
G
T
E
G
P
N
F
Y
VP
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
-
D
Y
Y
T
-----
P
H
---
E
---
E
--
T
N
N
E
S
F
V
-----
I
Y
--
M
F
V
V
--
H
--
F
I
I
P
L
I
V
I
F
F
C
Y
G
Q
L
V
F
T
V
K
E
A
A
-----------------------------------------
A
---------------------------------------------
Q
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
Q
ES
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
E
T
S
Q
V
A
P
A
-------------------------------
29
HHSearch
68.43
19%
-150
- C4 -
3V2Y
1
ENLYS_BPT4
A:
[60-495]
-----------------------------------------
E
N
S
I
K
L
T
S
V
V
F
I
L
I
C
C
F
I
I
L
E
N
I
F
V
----
L
L
T
I
W
K
T
K
K
F
H
R
P
M
Y
Y
F
I
G
N
L
A
L
S
D
L
L
A
G
V
A
--
Y
T
A
N
-
L
L
L
S
-
G
A
T
T
Y
K
L
T
P
A
Q
W
F
L
R
E
G
S
M
F
V
A
L
S
A
S
V
F
S
L
L
A
I
A
I
E
R
Y
I
T
M
L
K
-------
N
---
N
F
R
L
F
L
L
I
-
S
A
C
W
-
V
I
S
L
I
L
-
G
G
L
P
I
M
G
-
W
N
C
-----
I
-------------------
S
A
-------
L
---
S
----
S
C
-
S
-
T
V
L
P
-----
L
Y
---
H
---------
K
H
Y
------
I
L
--
F
C
T
T
--
V
--
F
T
L
L
L
L
S
I
V
I
L
Y
C
R
I
Y
S
L
V
R
T
R
N
-----------------------------------------
I
---------------------------------------------
F
E
M
L
R
IDEGLRL
K
I
Y
K
D
TE
G
Y
Y
T
I
G
IGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYA
S
--
R
S
--
S
E
N
V
-----
A
L
L
K
T
--------
V
I
--
I
V
L
S
V
F
I
A
C
W
A
P
L
F
I
L
L
L
L
D
V
G
C
K
V
K
T
-------------
C
D
I
L
F
R
-
A
E
Y
F
L
V
--
L
A
V
L
N
S
G
T
N
P
I
I
Y
T
L
T
N
K
E
M
R
R
-
A
F
I
R
I
M
G
R
P
L
-----------------------------------------------------
27
HHSearch
66.70
18%
-143
- C4 -
2KS9
1
NK1R_HUMAN
A:
[31-326]
-------------------------------------------
Q
I
V
L
W
A
A
A
Y
T
V
I
V
V
T
S
V
V
G
N
V
V
V
----
M
W
I
I
L
A
H
K
R
M
R
T
V
T
N
Y
F
L
V
N
L
A
F
A
E
A
S
M
A
A
F
N
-
T
V
V
N
-
F
T
Y
A
-
V
H
N
E
W
Y
Y
G
L
F
Y
C
K
F
H
N
F
F
P
I
A
A
V
F
A
S
I
Y
S
M
T
A
V
A
F
D
R
Y
M
A
I
I
H
P
L
Q
P
R
L
S
A
---
T
A
T
K
V
V
I
--
C
V
I
W
-
V
L
A
L
L
L
-
A
F
P
Q
G
Y
Y
-
S
T
T
-----
E
-------
T
-------
M
---
P
S
-------
R
---
V
----
V
C
-
M
-
I
E
W
P
-----
E
H
---
P
NKI
Y
--
E
--
K
V
Y
H
-----
I
C
--
V
T
V
L
--
I
--
Y
F
L
P
L
L
V
I
G
Y
A
Y
T
V
V
G
I
T
L
W
A
S
E
-----------------------------------------
I
PGDSSDRYH------------------------------------
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
V
--
S
A
K
R
-----
K
V
V
K
M
--------
M
I
--
V
V
V
C
T
F
A
I
C
W
L
P
F
H
I
F
F
L
L
P
Y
I
N
P
D
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
-------------
31
HHSearch
66.24
17%
-135
- C4 -
1U19
14
OPSD_BOVIN
A:
[35-326]
---------------------------------------
A
E
P
W
Q
F
S
M
L
A
A
Y
M
F
L
L
I
M
L
G
F
P
I
N
F
L
T
----
L
Y
V
T
V
Q
H
K
K
L
R
T
P
L
N
Y
I
L
L
N
L
A
V
A
D
L
F
M
V
F
G
--
G
F
T
T
-
T
L
Y
T
S
L
H
G
Y
F
V
F
G
P
T
G
C
N
L
E
G
F
F
A
T
L
G
G
E
I
A
L
W
S
L
V
V
L
A
I
E
R
Y
V
V
V
C
K
P
M
S
N
F
R
F
G
---
E
N
H
A
I
M
G
V
-
A
F
T
W
-
V
M
A
L
A
C
-
A
A
P
P
L
V
G
-
W
S
R
-----
Y
-------
I
-------
P
E
--
G
M
-------
Q
---
C
----
S
C
-
G
-
I
D
Y
Y
-----
T
P
HEE
T
---
N
--
N
--
E
S
F
V
-----
I
Y
--
M
F
V
V
--
H
--
F
I
I
P
L
I
V
I
F
F
C
Y
G
Q
L
V
F
T
V
K
E
A
A
-----------------------------------------
A
---------------------------------------------
Q
QQESA
T
-----------------------------------------------------------------------------------------------------------------------------------------------------------
T
Q
--
K
A
E
K
-----
E
V
T
R
M
--------
V
I
--
I
M
V
I
A
F
L
I
C
W
L
P
Y
A
G
V
A
F
Y
I
F
T
H
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
E
T
S
Q
V
A
P
A
------------------------------
6
PsiBlast_PDB
65.54
26%
-171
- C4 -
5C1M
7
?
A:
[16-253]
-------------------------------------------
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
-----------------------------------------
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
------------------------------------------------------------------------