@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 : SSR4_HUMAN: (2016-01-14 )
MSAPSTLPPGGEEGLGTAWPSAANASSAPAEAEEAVAGPGDARAAGMVAIQCIYALVCLVGLVGNALVIFVILRYAKMKTATNIYLLNLAVADELFMLSVPFVASSAALRHWPFGSVLCRAVLSVDGLNMFTSVFCLTVLSVDRYVAVVHPLRAATYRRPSVAKLINLGVWLASLLVTLPIAIFADTRPARGGQAVACNLQWPHPAWSAVFVVYTFLLGFLLPVLAIGLCYLLIVGKMRAVALRAGWQQRRRSEKKITRLVLMVVVVFVLCWMPFYVVQLLNLFVTSLDATVNHVSLILSYANSCANPILYGFLSDNFRRFFQRVLCLRCCLLEGAGGAEEEPLDYYATALKSKGGAGCMCPPLPCQQEALQPEPGRKRIPLTRTTTF
Atome Classification :
(21 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)
MSAPSTLPPGGEEGLGTAWPSAANASSAPA
E
A
E
E
AVA----GPGD
A
R
A
A
G
---
M
---
V
A
I
Q
C
I
Y
A
L
V
C
L
V
G
L
V
G
N
A
L
V
I
F
V
I
L
R
Y
A
KMKTA
T
N
I
Y
L
L
N
LAVAD
E
L
F
-
M
L
S-V-
P
F
VAS
S
A
A
-LRH-WP
F
G
S
V
L
C
R
A
V
LSVD
G
L
N
M
F
T
S
V
F
C
L
T
V
L
S
V
D
R
Y
V
A
V
V
H
P
L
R
A
ATY---RR
P
S
V
A
K
L
I
N
L
G
V
W
L
A
S
L
L
V
T
-
L
P
I
A
I
--
F
ADTRPA-RGG-----
Q
A
V
A
C
NLQWPH
P
A
-----
W
--
S
A
V
F
V
--
V
Y
T
F
L
L
G
F
L
L
P
V
L
A
I
G
L
C
Y
---
L
L
I
VGK
M
R
A
----------------------------------------
V
A
---------------------------
L
R
A
G
W
------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
Q
R
R
R
S
E
K
K
I
T
R
L
V
L
----------
M
-----------
V
V
V
V
F
V
L
C
W
M
P
---
F
Y
V
V
Q
L
---------
L
N
L
F
-----------
V
-----
T
-----------
S
--
L
D
------------
A
T
-
V
N
----
H
-------
V
S
L
-
I
L
S
Y
A
N
SCA
N
P
I
L
Y
G
F
L
S
D
N
-
F
R
R
----
F
F
Q
R
V
-
L
C
L
R
C
C
L
LEGAGGAEEE
P
L
D
Y
Y
A
T
A
L
K--SKGGAGCMCPPLPC
Q
Q
EALQPEPGRKRIPLT-RTTTF--------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
91.74
46%
-164
- C6 -
4RWA
2
C562_ECOLX (first)
A:
[123-406]
---------------------------------------------------------
I
A
I
T
A
L
Y
S
A
V
C
A
V
G
L
L
G
N
V
L
V
M
F
G
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
-
T
S
T
-
L
-
P
F
Q
S
A
K
Y
L
-
M
E
T
-
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
A
S
G
V
G
-
V
P
I
M
V
--
M
A
V
T
R
P
R
-
D
G
-------
A
V
V
C
M
L
Q
F
P
S
P
S
W
Y
---
W
--
D
T
V
T
K
--
I
C
V
F
L
F
A
F
V
V
P
I
L
I
I
T
V
C
Y
---
G
L
M
L
L
----------------------------------------------------------------------------
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
DIDRR
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
91.41
44%
-155
- C6 -
4N6H
23
C562_ECOLX (first)
A:
[108-413]
--------------------------------
Q
K
Y
L
G
----
S
P
G
A
R
S
A
S
S
---
L
A
L
A
I
A
I
T
A
L
Y
S
A
V
C
A
V
G
L
L
G
N
V
L
V
M
F
G
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
-
T
S
T
-
L
-
P
F
Q
S
A
K
Y
L
-
M
E
T
-
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
A
S
G
V
G
-
V
P
I
M
V
--
M
A
V
T
R
P
R
-
D
G
-------
A
V
V
C
M
L
Q
F
P
S
P
S
W
Y
---
W
--
D
T
V
T
K
--
I
C
V
F
L
F
A
F
V
V
P
I
L
I
I
T
V
C
Y
---
G
L
M
L
L
R
L
R
S
----------------------------------------
V
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
DIDRR
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
PsiBlast_CBE
90.41
46%
-158
- C6 -
4RWD
6
C562_ECOLX (first)
B:
[123-405]
---------------------------------------------------------
I
A
I
T
A
L
Y
S
A
V
C
A
V
G
L
L
G
N
V
L
V
M
F
G
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
-
T
S
T
-
L
-
P
F
Q
S
A
K
Y
L
-
M
E
T
-
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
A
S
G
V
G
-
V
P
I
M
V
--
M
A
V
T
R
P
R
-
D
G
-------
A
V
V
C
M
L
Q
F
P
S
P
S
WY---
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
DIDRR
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
22
PsiBlast_CBE
90.25
46%
-159
- C6 -
4RWA
1
C562_ECOLX (first)
B:
[123-403]
---------------------------------------------------------
I
A
I
T
A
L
Y
S
A
V
C
A
V
G
L
L
G
N
V
L
V
M
F
G
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
-
T
S
T
-
L
-
P
F
Q
S
A
K
Y
L
-
M
E
T
-
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
A
S
G
V
G
-
V
P
I
M
V
--
M
A
V
T
R
P
R
-
D
G
-------
A
V
V
C
M
L
Q
F
P
S
P
S
W
Y
---
W
--
D
T
V
T
K
--
I
C
V
F
L
F
A
F
V
V
P
I
L
I
I
T
V
C
Y
---
G
L
M
L
L
R
---------------------------------------------------------------------------
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
DIDRR
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
90.00
46%
-158
- C6 -
4RWD
7
C562_ECOLX (first)
A:
[123-406]
---------------------------------------------------------
I
A
I
T
A
L
Y
S
A
V
C
A
V
G
L
L
G
N
V
L
V
M
F
G
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
-
T
S
T
-
L
-
P
F
Q
S
A
K
Y
L
-
M
E
T
-
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
A
S
G
V
G
-
V
P
I
M
V
--
M
A
V
T
R
P
R
-
D
G
-------
A
V
V
C
M
L
Q
F
P
S
P
S
W
Y
---
W
--
D
T
V
T
K
--
I
C
V
F
L
F
A
F
V
V
P
I
L
I
I
T
V
C
Y
---
G
L
M
L
L
R
L
R
S
----------------------------------------
V
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
DIDRR
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
87.29
44%
-164
- C6 -
4EA3
3
C562_ECOLX (first)
B:
[126-407]
---------------------------------------------------------
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
I
R
A
L
D
V
---
R
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
-------------
E
I
E
C
L
V
E
I
P
T
P
Q
DY---
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
K
F
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
84.85
40%
-166
- C6 -
5C1M
7
?
A:
[10-296]
-------------------------------------------
G
S
P
S
M
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
84.81
44%
-162
- C6 -
4EA3
3
C562_ECOLX (first)
A:
[126-405]
---------------------------------------------------------
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
DY---
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
74
HHSearch
83.49
30%
-145
- C6 -
3ODU
6
CXCR4_HUMAN (first)
A:
[37-498]
-----------------------------------
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
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
TGTWDAY
G
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
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
L
E
V
L
F
Q
--------------------------------------------------------------------------------------------------------------------------------------------------------------
80
HHSearch
81.72
26%
-146
- C6 -
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
TGTWDA--
Y
L
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------
77
HHSearch
81.38
26%
-147
- C6 -
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
V
R
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
TGTWDA--
Y
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------
99
Fugue
81.18
28%
-144
- C6 -
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
PEDGDPDNGVNPGTDFKDIVCPLCG
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
QTPAM
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
85
HHSearch
80.38
27%
-148
- C6 -
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
GTWDA
Y
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
CH
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------
102
Fugue
80.20
26%
-124
- C3 -
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
GHLLTKSPS
L
N
A
A
-----------
K
-----
S
-----------
E
--
L
D
------------
K
A
-
I
G
----
R
NTNGVIT
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
R
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
T
G
T
W
DAYGSK
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
9
PsiBlast_PDB
79.00
27%
-162
- C6 -
4MBS
8
CCR5_HUMAN (first)
A:
[38-366]
--------------------------------------------------------------
L
Y
S
L
V
F
I
F
G
F
V
G
N
M
L
V
I
L
I
L
I
N
Y
K
R
L
K
S
M
T
D
I
Y
L
L
N
L
A
I
S
D
L
F
F
-
L
L
T
-
V
-
P
F
W
A
H
Y
A
A
-
A
Q
--
W
D
F
G
N
T
M
C
Q
L
L
T
G
L
Y
F
I
G
F
F
S
G
I
F
F
I
I
L
L
T
I
D
R
Y
L
A
V
V
H
A
V
F
A
L
K
A
---
R
T
V
T
F
G
V
V
T
S
V
I
T
W
V
V
A
V
F
A
S
-
L
P
N
I
I
--
F
--
T
R
S
Q
-
K
E
G
-----
L
H
Y
T
C
S
S
H
F
P
Y
S
Q
Y
Q
F
--
W
--
K
N
F
Q
T
--
L
K
I
V
I
L
G
L
V
L
P
L
L
V
M
V
I
C
Y
S
G
I
L
K
T
L
L
R
M
K
K
----------------------------------------
Y
T
C
TVCG
Y
I
Y
N
PEDGDPDNGVNPGTDFKD
I
P
D
D
W
VCPLCGVGKDQ
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
QEFFGLNN
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
78
HHSearch
78.83
27%
-144
- C6 -
2RH1
16
ADRB2_HUMAN (first)
A:
[36-477]
----------------------------------------------
D
E
V
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
TGTWDA--
Y
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------
55
PsiBlast_CBE
75.63
31%
-157
- C6 -
2VT4
9
ADRB1_MELGA
B:
[12-297]
------------------------------------------------
A
G
---
M
------
S
L
L
M
A
L
V
V
L
L
I
V
A
G
N
V
L
V
I
A
A
I
G
S
T
Q
R
L
Q
T
L
T
N
L
F
I
T
S
L
A
C
A
D
L
V
V
G
L
L
V
-
V
-
P
F
G
A
T
L
V
V
-
R
G
T
-
W
L
W
G
S
F
L
C
E
L
W
T
S
L
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
I
D
R
Y
L
A
I
T
S
P
F
R
Y
Q
S
L
---
M
T
R
A
R
A
K
V
I
I
C
T
V
W
A
I
S
A
L
V
S
F
L
P
I
M
M
HW
W
R
D
E
D
P
----------
Q
A
L
K
C
---
Y
Q
D
P
G
CCDFV
T
--
N
R
A
Y
A
--
I
A
S
S
I
I
S
F
Y
I
P
L
L
I
M
I
F
V
A
---
L
R
V
Y
R
E
A
K
E
----------------------------------------
Q
I
---------------------------
R
----------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
H
K
A
L
K
T
L
G
----------
I
-----------
I
M
G
V
F
T
L
C
W
L
P
---
F
F
L
V
N
I
---------
V
N
V
F
-----------
N
-----
R
-----------
D
--
L
V
------------
P
D
-
W
L
----
F
-------
V
A
F
N
W
L
G
Y
A
N
S
A
M
N
P
I
I
Y
C
-
R
S
P
D
-
F
R
K
----
A
F
K
R
L
-
L
A
F
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------
57
PsiBlast_CBE
75.50
31%
-157
- C6 -
4BVN
11
ADRB1_MELGA
A:
[12-299]
------------------------------------------------
A
G
---
M
------
S
L
L
M
A
L
V
V
L
L
I
V
A
G
N
V
L
V
I
A
A
I
G
S
T
Q
R
L
Q
T
L
T
N
L
F
I
T
S
L
A
C
A
D
L
V
V
G
L
L
V
-
V
-
P
F
G
A
T
L
V
V
-
R
G
T
-
W
L
W
G
S
F
L
C
E
L
W
T
S
L
D
V
L
C
V
T
A
S
V
E
T
L
C
V
I
A
I
D
R
Y
L
A
I
T
S
P
F
R
Y
Q
S
L
---
M
T
R
A
R
A
K
V
I
I
C
T
V
W
A
I
S
A
L
V
S
F
L
P
I
M
M
HW
W
R
D
E
D
P
----------
Q
A
L
K
C
---
Y
Q
D
P
G
CCDFV
T
--
N
R
A
Y
A
--
I
A
S
S
I
I
S
F
Y
I
P
L
L
I
M
I
F
V
A
---
L
R
V
Y
R
E
A
K
E
----------------------------------------
Q
I
---------------------------
R
----------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
R
K
T
S
R
V
M
L
----------
M
R
E
H
K
A
L
K
T
L
G
I
I
M
G
V
F
T
L
C
W
L
P
---
F
F
L
V
N
I
---------
V
N
V
F
-----------
N
-----
R
-----------
D
--
L
V
------------
P
K
-
W
L
----
F
-------
V
A
F
N
W
L
G
Y
A
N
S
A
M
N
P
I
I
L
C
-
R
S
P
D
-
F
R
K
----
A
F
K
R
L
-
L
A
------------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
75.24
27%
-149
- C6 -
4QKX
2
ADRB2_HUMAN
A:
[154-463]
-------------------------
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
T
G
T
W
D
A
Y
A
A
D
E
V
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
C
I
L
-
T
K
T
-
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
Q
---
K
F
A
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------
53
PsiBlast_CBE
74.96
31%
-158
- C6 -
2VT4
8
ADRB1_MELGA
D:
[12-297]
------------------------------------------------
A
G
---
M
------
S
L
L
M
A
L
V
V
L
L
I
V
A
G
N
V
L
V
I
A
A
I
G
S
T
Q
R
L
Q
T
L
T
N
L
F
I
T
S
L
A
C
A
D
L
V
V
G
L
L
V
-
V
-
P
F
G
A
T
L
V
V
-
R
G
T
-
W
L
W
G
S
F
L
C
E
L
W
T
S
L
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
I
D
R
Y
L
A
I
T
S
P
F
R
Y
Q
S
L
---
M
T
R
A
R
A
K
V
I
I
C
T
V
W
A
I
S
A
L
V
S
F
L
P
I
M
M
HW
W
R
D
E
D
P
----------
Q
A
L
K
C
---
Y
Q
D
P
G
CCDFV
T
--
N
R
A
Y
A
--
I
A
S
S
I
I
S
F
Y
I
P
L
L
I
M
I
F
V
A
---
L
R
V
Y
R
E
A
K
E
----------------------------------------
Q
I
---------------------------
R
----------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
H
K
A
L
K
T
L
G
----------
I
-----------
I
M
G
V
F
T
L
C
W
L
P
---
F
F
L
V
N
I
---------
V
N
V
F
-----------
N
-----
R
-----------
D
--
L
V
------------
P
D
-
W
L
----
F
-------
V
A
F
N
W
L
G
Y
A
N
S
A
M
N
P
I
I
Y
C
-
R
S
P
D
-
F
R
K
----
A
F
K
R
L
-
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
54
PsiBlast_CBE
70.81
31%
-156
- C6 -
2VT4
7
ADRB1_MELGA
C:
[12-286]
------------------------------------------------
A
G
---
M
------
S
L
L
M
A
L
V
V
L
L
I
V
A
G
N
V
L
V
I
A
A
I
G
S
T
Q
R
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------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------