@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 : O52E6_HUMAN: (2016-01-12 )
MPIANDTQFHTSSFLLLGIPGLEDVHIWIGFPFFSVYLIALLGNAAIFFVIQTEQSLHEPMYYCLAMLDSIDLSLSTATIPKMLGIFWFNIKEISFGGYLSQMFFIHFFTVMESIVLVAMAFDRYIAICKPLWYTMILTSKIISLIAGIAVLRSLYMVIPLVFLLLRLPFCGHRIIPHTYCEHMGIARLACASIKVNIMFGLGSISLLLLDVLLIILSHIRILYAVFCLPSWEARLKALNTCGSHIGVILAFSTPAFFSFFTHCFGHDIPQYIHIFLANLYVVVPPTLNPVIYGVRTKHIRETVLRIFFKTDH
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)
----------MPIANDTQFHTS
S
F
L
L
-
L
GIP-GL
E
D
V
H
I
W
I
G
F
P
F
F
S
V
Y
L
I
A
L
LGN
A
A
I
F
F
V
I
QT
E
Q
S
L
H
E
------
P
M
Y
Y
C
L
A
M
L
D
SIDLSLS
T
A
T
-
I
P
K
M
L
G
I
F
W
-
F
N
I
K
EISF
G
G
Y
L
S
Q
M
F
F
I
H
F
F
----
T
V
M
--
E
S
I
V
--
L
V
A
M
A
F
D
R
Y
I
A
I
C
K
P
L
W
Y
T
M
I
---
L
T
-
S
K
I
------------------
I
S
L
I
A
G
I
A
V
L
R
S
L
Y
M
V
I
P
L
V
F
L
-
L
L
RLP-----FC-----------------------------------G-------HRII
P
H
T
Y
C
E
HMG
I
A
R
L
A
C
---
A
----------
S
I
K
V
----
N
-
I
M
F
G
L
G
S
I
S
-
L
L
L
L
---
D
V
L
L
I
I
L
S
H
I
R
I
L
Y
A
V
FC---------LP
S
W
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
A
R
---
L
K
A
L
N
TC----------GSH
I
G
V
I
L
AFS
T
P
A
F
F
S
F
F
T
H
C
FGH----------
D
--
I
-
P
Q
Y
I
H
--
I
F
L
AN
L
Y
V
VV-----PPT---L
N
P
V
I
Y
G
V
R
T
K
H
I
R
E
T
V
L
R
I
F
----FKTDH----------------------
2
PsiBlast_PDB
82.70
23%
-167
- C5 -
3VGA
1
AA2AR_HUMAN
A:
[15-302]
----------------------------------------------
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
A
C
L
F
E
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
K
Q
M
E
S
Q
P
L
P
G
E
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
A
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
----------------------
11
PsiBlast_PDB
82.33
22%
-155
- C5 -
4UHR
1
AA2AR_HUMAN
A:
[15-302]
----------------------------------------------
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
A
A
A
A
D
I
L
V
G
V
L
A
-
I
P
F
A
I
A
I
-------
S
T
G
F
C
A
A
C
H
G
C
L
F
I
A
C
F
V
L
V
L
T
A
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
P
K
E
G
K
A
---
G
C
G
E
G
Q
V
A
C
LFE
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
K
Q
M
E
S
QP
L
P
G
E
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
A
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
-
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
----------------------
7
PsiBlast_PDB
81.73
23%
-171
- C5 -
3UZC
1
AA2AR_HUMAN
A:
[15-302]
----------------------------------------------
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
L
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
A
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
N
G
L
---
V
T
G
T
R
A
------------------
A
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
P
--------
G
C
G
E
G
Q
V
A
C
L
F
E
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
A
A
A
R
R
Q
L
K
Q
M
E
S
QP
L
P
G
E
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
A
R
S
T
L
Q
K
E
V
H
A
A
----------
K
S
A
A
I
I
A
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
AP
L
W
L
M
Y
L
A
I
V
L
-----
A
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
-------------------------
1
PsiBlast_PDB
81.43
23%
-170
- C5 -
3VG9
8
?
A:
[15-302]
----------------------------------------------
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
A
C
L
F
E
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
K
Q
M
E
S
Q
P
L
P
G
E
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
A
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
----------------------
5
PsiBlast_PDB
81.39
23%
-170
- C5 -
3RFM
1
AA2AR_HUMAN
A:
[15-302]
----------------------------------------------
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
L
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
A
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
N
G
L
---
V
T
G
T
R
A
------------------
A
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
P
--------
G
C
G
E
G
Q
V
A
C
L
F
E
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
A
A
A
R
R
Q
L
K
Q
M
E
S
QP
L
P
G
E
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
A
R
S
T
L
Q
K
E
V
H
A
A
----------
K
S
A
A
I
I
A
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
AP
L
W
L
M
Y
L
A
I
V
L
-----
A
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
-------------------------
4
PsiBlast_PDB
81.36
23%
-168
- C5 -
3REY
1
AA2AR_HUMAN
A:
[15-302]
----------------------------------------------
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
L
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
A
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
N
G
L
---
V
T
G
T
R
A
------------------
A
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
P
--------
G
C
G
E
G
Q
V
A
C
L
F
E
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
A
A
A
R
R
Q
L
K
Q
M
E
S
QP
L
P
G
E
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
A
R
S
T
L
Q
K
E
V
H
A
A
----------
K
S
A
A
I
I
A
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
AP
L
W
L
M
Y
L
A
I
V
L
-----
A
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
-------------------------
9
PsiBlast_PDB
81.26
22%
-156
- C5 -
2YDV
6
?
A:
[15-302]
----------------------------------------------
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
A
A
A
A
D
I
L
V
G
V
L
A
-
I
P
F
A
I
A
I
-------
S
T
G
F
C
A
A
C
H
G
C
L
F
I
A
C
F
V
L
V
L
T
A
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
P
K
E
G
K
A
H
S
Q
G
C
G
E
G
Q
V
A
C
LFE
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
K
Q
M
ESQ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------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
----------------------
6
PsiBlast_PDB
81.18
23%
-172
- C5 -
3UZA
1
AA2AR_HUMAN
A:
[15-302]
----------------------------------------------
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
L
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
A
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
N
G
L
---
V
T
G
T
R
A
------------------
A
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
P
--------
G
C
G
E
G
Q
V
A
C
L
F
E
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
A
A
A
R
R
Q
L
K
Q
M
E
S
QP
L
P
G
E
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
A
R
S
T
L
Q
K
E
V
H
A
A
----------
K
S
A
A
I
I
A
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
AP
L
W
L
M
Y
L
A
I
V
L
-----
A
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
-------------------------
36
HHSearch
80.99
20%
-166
- C5 -
3EML
13
ENLYS_BPT4
A:
[22-468]
--------------------------------------
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
---
A
C
---
L
----------
F
E
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
CS
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
----------------------
3
PsiBlast_PDB
80.71
23%
-168
- C5 -
3PWH
1
?
A:
[15-302]
----------------------------------------------
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
L
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
A
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
N
G
L
---
V
T
G
T
R
A
------------------
A
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
P
--------
G
C
G
E
G
Q
V
A
C
LFE
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
A
A
A
R
R
Q
L
K
Q
M
E
S
QP
L
P
G
E
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
A
R
S
T
L
Q
K
E
V
H
A
A
----------
K
S
A
A
I
I
A
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
AP
L
W
L
M
Y
L
A
I
V
L
-----
A
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
-------------------------
55
Fugue
80.60
18%
-143
- C3 -
4CI0
4
?
A:
[2-386]
-------S
E
R
I
V
I
S
P
T
S
R
Q
E
G
H
A
E
L
V
-
M
E
V
----
D
D
E
G
I
V
T
K
G
R
Y
F
S
I
T
P
V
R
G
L
E
K
M
V
T
G
K
A
P
E
T
A
P
V
M
V
Q
R
ICGVC
P
I
P
H
T
L
A
S
V
E
A
I
D
D
S
L
D
-
I
E
-
V
P
K
A
G
R
L
-----
L
R
E
L
T
L
A
A
H
H
V
N
S
H
A
I
H
H
F
----
L
I
A
--
P
D
F
V
--
P
E
N
L
M
A
D
A
I
N
S
V
S
E
I
R
K
N
A
Q
Y
---
V
V
-
D
M
V
A
GEGIHPSDVRIGGMA
D
N
I
T
E
L
A
R
K
R
L
Y
A
R
L
K
Q
L
K
P
K
V
N
E
-
H
V
E
L
M
-----
I
G
L
I
E
D
K
GLPEGLGVHN
Q
P
T
L
A
SHQIYGDRTKFDLDR
F
-------
T
E
I
M
P
E
S
W
Y
D
D
P
E
I
A
K
R
A
C
---
S
----------
T
I
P
L
Y
DG
R
N
-
V
E
V
G
P
R
A
R
M
-
V
E
F
Q
GFK
E
R
G
V
V
A
Q
H
V
A
R
A
L
E
M
K
T
A
---------
L
S
R
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
E
I
---
L
D
E
L
D
T
S
APV
R
A
D
F
D
ER
G
T
G
K
L
G
I
G
A
I
E
A
P
R
G
L
D
V
H
M
A
K
V
E
N
----------
G
--
K
-
I
Q
F
Y
S
--
A
L
V
P
T
T
W
N
I
-------
P
T
---
M
G
P
A
T
E
G
F
H
H
E
Y
-
G
P
H
V
I
R
A
Y
DPCL
S
C
A
T
H
----------------------
50
Fugue
80.56
16%
-147
- C5 -
1F88
8
OPSD_BOVIN
A:
[1-348]
MN
G
T
E
G
PNFY
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
------
G
M
-
Q
C
S
C
---
G
I
DYYTPHEET
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
ASA------
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
PSTTVSKTETS
Q
V
A
P
A------
10
PsiBlast_PDB
80.37
22%
-156
- C5 -
4UG2
3
?
A:
[15-302]
----------------------------------------------
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
A
A
A
A
D
I
L
V
G
V
L
A
-
I
P
F
A
I
A
I
-------
S
T
G
F
C
A
A
C
H
G
C
L
F
I
A
C
F
V
L
V
L
T
A
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
P
K
E
G
K
A
H
S
Q
G
C
G
E
G
Q
V
A
C
LFE
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-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
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
----------------------
34
HHSearch
79.95
18%
-161
- C5 -
2RH1
16
ADRB2_HUMAN (first)
A:
[41-477]
--------------------------------------
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
TGTWDAYKFC--
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
-------------------------
8
PsiBlast_PDB
79.42
22%
-154
- C5 -
2YDO
3
?
A:
[15-302]
----------------------------------------------
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
A
A
A
A
D
I
L
V
G
V
L
A
-
I
P
F
A
I
A
I
-------
S
T
G
F
C
A
A
C
H
G
C
L
F
I
A
C
F
V
L
V
L
T
A
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
P
K
E
G
K
A
H
S
Q
G
C
G
E
G
Q
V
A
C
LFE
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
K
Q
M
E
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
----------------------
38
HHSearch
78.47
18%
-158
- C5 -
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
GTWDAYGVP
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
-------------------------
52
Fugue
77.58
16%
-132
- C5 -
1U19
15
OPSD_BOVIN
A:
[4-349]
MN
G
T
E
G
PNFY
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
GMQC
S
C
-----------------------------------
G
I
DYYTPH
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
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
PLGDDEA
S
T
T
V
S
K
TETSQVAPA
33
HHSearch
75.93
18%
-153
- C5 -
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
TGTWDAYLHM--
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
-------------------------
44
HHSearch
73.70
17%
-154
- C5 -
2Z73
5
OPSD_TODPA
A:
[34-332]
-------------------------------------
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
----------------------
35
HHSearch
73.52
15%
-147
- C5 -
3ODU
6
CXCR4_HUMAN (first)
A:
[47-495]
------------------------------------
N
K
I
F
L
P
T
I
Y
S
I
I
F
L
T
G
I
V
G
N
G
L
V
I
L
V
M
G
Y
Q
K
K
L
R
S
------
M
T
D
K
Y
R
L
H
L
S
V
A
D
L
L
F
V
-
I
T
-
L
P
F
W
A
V
D
A
V
--
A
N
W
Y
F
G
N
F
L
C
K
A
V
H
V
I
Y
T
V
N
----
L
Y
S
--
S
V
W
I
--
L
A
F
I
S
L
D
R
Y
L
A
I
V
H
A
T
N
S
Q
R
P
---
R
K
-
L
L
A
------------------
E
K
V
V
Y
V
G
V
W
I
P
A
L
L
L
T
I
P
D
F
I
F
-
A
N
V
S
E
----------------------------------------------------
A
D
D
R
Y
I
C
D
R
F
Y
P
N
-------------------
D
L
W
----
V
-
V
V
F
Q
F
Q
H
I
M
V
G
L
I
L
---
P
G
I
V
I
L
S
C
Y
C
I
I
I
S
K
L
S
H
---------
S
G
S
N
I
F
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
TEG
Y
Y
T
I
GIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
IGRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKLK
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KRW
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYGSK
G
H
Q
K
---
R
K
A
L
K
T
T
----------
V
I
L
I
L
A
F
F
A
C
W
L
P
Y
Y
I
G
I
S
I
D
S
F
I
L
L
EI
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
----------------------