@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 : P2Y12_HUMAN: (2016-01-14 )
MQAVDNLTSAPGNTSLCTRDYKITQVLFPLLYTVLFFVGLITNGLAMRIFFQIRSKSNFIIFLKNTVISDLLMILTFPFKILSDAKLGTGPLRTFVCQVTSVIFYFTMYISISFLGLITIDRYQKTTRPFKTSNPKNLLGAKILSVVIWAFMFLLSLPNMILTNRQPRDKNVKKCSFLKSEFGLVWHEIVNYICQVIFWINFLIVIVCYTLITKELYRSYVRTRGVGKVPRKKVNVKVFIIIAVFFICFVPFHFARIPYTLSQTRDVFDCTAENTLFYVKESTLWLTSLNACLDPFIYFFLCKSFRNSLISMLKCPNSATSLSQDNRKKEQDGGDPNEETPM
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
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
------------MQ
A
V
D
N
LTSAPGNT
S
L
CTRD
Y
K
-
I
T
Q
V
L
F
P
L
L
Y
T
V
L
F
F
V
G
L
I
TNG
L
A
M
---
R
I
---
F
-
F
---
Q
I
-R-S-KS
N
F
I
I
F
L
K
N
T
V
I
S
D
L
L
M
I
L
-
T
--
F
P
F
---
K
I
L-----SDAK--LGT
G
P
L
R
T
F
V
C
Q
V
T
S
V
I
F
Y
F
T
M
Y
I
S
I
S
F
L
G
L
I
T
I
D
R
Y
QKTT----RPFKTSN
P
---
K
N
L
L
G
A
K
I
L
S
V
V
I
W
A
F
M
F
L
L
SL
P
N
M
I
LTNRQPR--DK
N
V
K
K
C
-
S
--
F
L
K
S
E
F
G
-
L
V
W
H
-
E
I
V
N
Y
I
C
-------
Q
V
-
I
-
F
W
--
I
N
F
--------------
L
I
V
I
V
C
Y
T
L
I
T
K
E
L
---
Y
R
---------
S
Y
V
R
TR----------------------------------G-------------------------------------------------------------------------------------------------------------------------------------------------------------VGKV--------P--------R--
K
K
V
N
V
K
---------
V
F
I
I
I
A
V
F
F
I
C
F
V
P
F
H
-------
F
-------ARIPY
T
L
SQTR--D
V
-
F
D-CTAE
N
T
L
F
Y
V
K-ES
T
L
W
L
T
S
L
N
A
C
L
D
P
F
I
Y
F
F
L
C
K
S
F
R
N
S
L
I
S
M
L
KCPNSATSLSQDNRKKEQDGGDPNEETPM
2
PsiBlast_PDB
79.76
100%
-152
- C3 -
4PXZ
4
C562_ECOLX (first)
A:
[24-232]
--------------------------
S
L
C
T
R
D
Y
K
-
I
T
Q
V
L
F
P
L
L
Y
T
V
L
F
F
V
G
L
I
T
N
G
L
A
M
---
R
I
---
F
-
F
---
Q
I
-
R
-
S
-
K
S
N
F
I
I
F
L
K
N
T
V
I
S
D
L
L
M
I
L
-
T
--
F
P
F
---
K
I
L
-----
S
D
A
K
--
L
G
T
G
P
L
R
T
F
V
C
Q
V
T
S
V
I
F
Y
F
T
M
Y
I
S
I
S
F
L
G
L
I
T
I
D
R
Y
Q
K
T
T
----
R
P
-----
P
---
K
N
L
L
G
A
K
I
L
S
V
V
I
W
A
F
M
F
L
L
S
L
P
N
M
I
L
T
N
R
Q
P
R
--
D
K
N
V
K
K
C
-
S
--
F
L
K
S
E
F
G
-
L
V
W
H
-
E
I
V
N
Y
I
C
-------
Q
V
-
I
-
F
W
--
I
N
F
--------------
L
I
V
I
V
C
Y
T
L
I
T
K
E
L
---
Y
R
---------
S
Y
V
R
T
A
----------------------------------
D
-------------------------------------------------------------------------------------------------------------------------------------------------------------
L
E
D
N
--------
W
--------
E
--
T
L
N
D
N
L
---------
K
V
I
E
K
A
D
N
A
A
Q
V
K
D
A
L
-------
T
-------
K
M
R
A
A
A
L
D
A
Q
K
--
A
T
-
P
P
-
K
L
E
D
K
S
P
D
S
P
E
-
M
K
D
F
R
H
G
F
D
I
L
V
G
Q
I
D
D
A
L
K
L
A
N
E
G
K
V
K
E
A
Q
A
A
A
E
Q
L
K
T
T
R
N
A
Y
I
Q
K
Y
L
R
G
V
G
K
V
P
R
K
K
V
N
V
3
PsiBlast_PDB
78.56
100%
-160
- C3 -
4PY0
2
C562_ECOLX (first)
A:
[24-232]
--------------------------
S
L
C
T
R
D
Y
K
-
I
T
Q
V
L
F
P
L
L
Y
T
V
L
F
F
V
G
L
I
T
N
G
L
A
M
---
R
I
---
F
-
F
---
Q
I
-
R
-
S
-
K
S
N
F
I
I
F
L
K
N
T
V
I
S
D
L
L
M
I
L
-
T
--
F
P
F
---
K
I
L
-----
S
D
A
K
----
T
G
P
L
R
T
F
V
C
Q
V
T
S
V
I
F
Y
F
T
M
Y
I
S
I
S
F
L
G
L
I
T
I
D
R
Y
Q
K
T
T
----
R
------
P
---
K
N
L
L
G
A
K
I
L
S
V
V
I
W
A
F
M
F
L
L
S
L
P
N
M
I
L
T
N
R
Q
P
R
--
D
K
N
V
K
K
C
-
S
--
F
L
K
S
E
F
G
-
L
V
W
H
-
E
I
V
N
Y
I
C
-------
Q
V
-
I
-
F
W
--
I
N
F
--------------
L
I
V
I
V
C
Y
T
L
I
T
K
E
L
---
Y
R
---------
S
Y
V
R
T
A
----------------------------------
D
-------------------------------------------------------------------------------------------------------------------------------------------------------------
L
E
D
N
--------
W
--------
E
--
T
L
N
D
N
L
---------
K
V
I
E
K
A
D
N
A
A
Q
V
K
D
A
L
-------
T
-------
K
M
R
A
A
A
L
D
A
Q
K
--
A
T
-
P
P
-
K
L
E
D
K
S
P
D
S
P
E
-
M
K
D
F
R
H
G
F
D
I
L
V
G
Q
I
D
D
A
L
K
L
A
N
E
G
K
V
K
E
A
Q
A
A
A
E
Q
L
K
T
T
R
N
A
Y
I
Q
K
Y
L
R
G
V
G
K
V
P
R
K
K
V
N
V
1
PsiBlast_PDB
76.80
100%
-181
- C3 -
4NTJ
4
C562_ECOLX (first)
A:
[25-232]
---------------------------
L
C
T
R
D
Y
K
-
I
T
Q
V
L
F
P
L
L
Y
T
V
L
F
F
V
G
L
I
T
N
G
L
A
M
---
R
I
---
F
-
F
---
Q
I
-
R
-
S
-
K
S
N
F
I
I
F
L
K
N
T
V
I
S
D
L
L
M
I
L
-
T
--
F
P
F
---
K
I
L
-----
S
D
A
K
--
L
----
L
R
T
F
V
C
Q
V
T
S
V
I
F
Y
F
T
M
Y
I
S
I
S
F
L
G
L
I
T
I
D
R
Y
Q
K
T
T
----
R
P
F
K
T
------
K
N
L
L
G
A
K
I
L
S
V
V
I
W
A
F
M
F
L
L
S
L
P
N
M
I
L
---------------------
K
S
E
F
G
-
L
V
W
H
-
E
I
V
N
Y
I
C
-------
Q
V
-
I
-
F
W
--
I
N
F
--------------
L
I
V
I
V
C
Y
T
L
I
T
K
E
L
---
Y
R
---------
S
Y
V
R
T
A
----------------------------------
D
-------------------------------------------------------------------------------------------------------------------------------------------------------------
L
E
D
N
--------
W
--------
E
--
T
L
N
D
N
L
---------
K
V
I
E
K
A
D
N
A
A
Q
V
K
D
A
L
-------
T
-------
K
M
R
A
A
A
L
D
A
Q
K
--
A
T
-
P
P
-
K
L
E
D
F
R
H
G
F
D
I
-
L
V
G
Q
I
D
D
A
L
K
L
A
N
E
G
K
V
K
E
A
Q
A
A
A
E
Q
L
K
T
T
R
N
A
Y
I
Q
K
Y
L
R
G
V
G
K
V
R
K
K
V
N
V
K
V
F
I
I
I
A
V
F
F
I
39
Fugue
76.52
24%
-136
- C3 -
4XNV
15
P2RY1_HUMAN (first)
A:
[38-382]
-------------------------
S
F
K
C
A
L
T
K
T
G
F
Q
F
Y
Y
L
P
A
V
Y
I
L
V
F
I
I
G
F
L
G
N
S
V
A
I
---
W
M
---
F
V
F
---
H
M
-
K
-
P
-
W
S
G
I
S
V
Y
M
F
N
L
A
L
A
D
F
L
Y
V
L
-
T
--
L
P
A
---
L
I
F
-----
Y
Y
F
N
--
K
T
D
W
I
F
G
D
A
M
C
K
L
Q
R
F
I
F
H
V
N
L
Y
G
S
I
L
F
L
T
C
I
S
A
H
R
Y
S
G
V
V
----
Y
P
-
K
S
L
G
R
---
L
K
K
K
N
A
I
C
I
S
V
L
V
W
L
I
V
V
V
A
I
S
P
I
L
F
Y
S
G
T
G
V
R
--
K
N
K
T
I
T
C
Y
D
--
T
T
S
D
E
Y
L
-
R
S
Y
F
-
I
Y
S
M
C
T
T
-------
V
A
-
M
-
F
C
--
V
P
L
--------------
V
L
I
L
G
C
Y
G
L
I
V
R
A
L
I
Y
K
M
K
---------
K
Y
T
C
T
V
CG
Y
I
Y
N
PEDGDPDNGVNPGTDFKDIVCPLC----
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
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
----------------------------------
41
Fugue
75.88
16%
-96
- C3 -
1F88
8
OPSD_BOVIN
A:
[1-348]
MN
G
T
E
G
PNFYVP
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
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
---------
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
9
PsiBlast_PDB
74.97
23%
-145
- C3 -
4XNV
15
P2RY1_HUMAN
A:
[54-382]
-----------------------------------------
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
T
V
CG
Y
I
Y
N
PEDGDPDNGVNPGTDFKDIVCPLC----
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
----------------------------------
30
HHSearch
74.18
23%
-133
- C3 -
3PBL
2
DRD3_HUMAN (first)
A:
[41-472]
----------------------------------------
Y
A
L
S
Y
C
A
L
I
L
A
I
V
F
G
N
G
L
V
C
---
M
A
---
V
-
L
---
K
E
-
R
A
L
-
Q
T
T
T
N
Y
L
V
V
S
L
A
V
A
D
L
L
V
A
T
L
V
--
M
P
W
---
V
V
Y
-----
L
E
V
T
--
G
G
V
W
N
F
S
R
I
C
C
D
V
F
V
T
L
D
V
M
M
C
T
A
S
I
W
N
L
C
A
I
S
I
D
R
Y
T
A
V
V
----
M
P
V
H
Y
Q
H
G
T
G
Q
S
S
C
R
R
V
A
L
M
I
T
A
V
W
V
L
A
F
A
V
S
C
P
L
L
F
G
F
N
T
T
-----
G
D
P
T
V
C
-
S
--
I
S
N
P
D
---------
F
V
I
Y
S
S
-------
V
V
-
S
-
F
Y
--
L
P
F
--------------
G
V
T
V
L
V
Y
A
R
I
Y
V
V
L
---
K
Q
---------
R
R
R
K
N
I
----------------------------------
F
E
M
L
R
I
D
E
GLRL
K
I
Y
K
D
TEG
Y
Y
T
I
G
IGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
T
GTWDAY
G
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
---------------------------
7
PsiBlast_PDB
73.56
23%
-146
- C3 -
4MBS
8
CCR5_HUMAN (first)
A:
[29-362]
---------------------------------
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
PYS
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
TVC
G
Y
I
Y
N
P
EDGDPDNGVNPGTDFKDIPDDWVCPLC-------
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------
V
G
K
D
--------
Q
--------
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
----------------------------
10
PsiBlast_PDB
72.71
23%
-135
- C3 -
4XNW
2
RUBR_CLOPA
A:
[54-382]
-----------------------------------------
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
T
V
CG
Y
I
Y
N
PEDGDPDNGVNPGTDFKDIPDDWVCPLC
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
----------------------------------
20
PsiBlast_PDB
72.17
24%
-140
- C3 -
4XT1
13
US28_HCMVA
A:
[47-315]
-------------------------------------------
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
YM
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
-------------------------
11
PsiBlast_PDB
72.05
26%
-139
- C3 -
4EA3
3
C562_ECOLX (first)
A:
[131-401]
-------------------------------------------
L
Y
L
A
V
C
V
G
G
L
L
G
N
C
L
V
M
---
Y
V
---
I
-
L
RHT
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
--------------------------------
5
PsiBlast_PDB
71.88
27%
-144
- C3 -
5C1M
7
?
A:
[15-293]
-----------------------------------
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
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
---------------------------------
31
HHSearch
71.63
19%
-123
- C3 -
2KS9
1
NK1R_HUMAN
A:
[33-328]
--------------------------------------
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
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
E
I
P
G
D
----------------------------------
S
SDRYH--------------------------------------------------------------------------------------------------------------------------------------------------------
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
22
HHSearch
70.95
19%
-126
- C3 -
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
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
TGTWDAY--
K
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
---------------------------
15
PsiBlast_PDB
70.43
26%
-127
- C3 -
4N6H
22
OPRD_HUMAN
A:
[131-412]
-------------------------------------------
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
------------------------
32
HHSearch
70.16
18%
-111
* C3 *
2Z73
5
OPSD_TODPA
A:
[33-333]
------------------------------------
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
-
16
PsiBlast_PDB
70.06
26%
-135
- C3 -
4RWA
2
C562_ECOLX (first)
A:
[128-406]
-------------------------------------------
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
-----------------------------
17
PsiBlast_PDB
69.90
26%
-126
- C3 -
4RWD
6
C562_ECOLX (first)
A:
[128-406]
-------------------------------------------
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
-----------------------------
21
HHSearch
68.25
20%
-123
- C3 -
3UON
4
ACM2_HUMAN (first)
A:
[24-457]
--------------------------------------
V
F
I
V
L
V
A
G
S
L
S
L
V
T
I
I
G
N
I
L
V
M
---
V
S
---
I
-
K
---
V
N
R
H
-
L
-
Q
T
V
N
N
Y
F
L
F
S
L
A
C
A
D
L
I
I
G
V
F
S
--
M
N
L
---
Y
T
L
-----
Y
T
-
V
--
I
G
Y
W
P
L
G
P
V
V
C
D
L
W
L
A
L
D
Y
V
V
S
N
A
S
V
M
N
L
L
I
I
S
F
D
R
Y
F
C
V
T
----
K
P
L
T
Y
P
V
K
---
R
T
T
K
M
A
G
M
M
I
A
A
A
W
V
L
S
F
I
L
W
A
P
A
I
L
F
W
Q
F
I
V
G
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
----------------------------
19
PsiBlast_PDB
68.03
23%
-119
- C3 -
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
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
-------------------------